Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3oc0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG VAL 469.A O no hydrogen 3.156 N/A THR 4.A OG1 SER 531.A O no hydrogen 3.049 N/A THR 4.A OG1 SER 531.A OG no hydrogen 3.393 N/A TYR 5.A N SER 531.A OG no hydrogen 2.777 N/A THR 6.A N ASP 9.A OD2 no hydrogen 2.703 N/A THR 6.A OG1 THR 4.A O no hydrogen 3.064 N/A THR 6.A OG1 ASP 9.A OD2 no hydrogen 3.283 N/A TYR 10.A N THR 6.A O no hydrogen 2.923 N/A LEU 11.A N LEU 7.A O no hydrogen 2.912 N/A LYS 12.A N THR 8.A O no hydrogen 2.534 N/A LYS 12.A NZ GLN 711.A OE1 no hydrogen 2.429 N/A ASN 13.A N ASP 9.A O no hydrogen 2.799 N/A THR 14.A N ASP 9.A O no hydrogen 3.332 N/A THR 14.A OG1 ASP 9.A OD1 no hydrogen 2.804 N/A LYS 18.A N ASN 459.A OD1 no hydrogen 2.640 N/A LYS 18.A NZ GLU 457.A OE2 no hydrogen 3.358 N/A TYR 20.A OH TYR 30.A OH no hydrogen 2.789 N/A ARG 23.A N LEU 31.A O no hydrogen 3.083 N/A ARG 23.A NH1 TYR 67.A O no hydrogen 3.213 N/A ARG 23.A NH2 ASP 66.A OD1 no hydrogen 3.192 N/A TRP 24.A NE1 SER 422.A OG no hydrogen 2.962 N/A ILE 25.A N GLU 29.A O no hydrogen 3.256 N/A SER 26.A OG ASP 27.A OD1 no hydrogen 3.278 N/A SER 26.A OG HIS 28.A ND1 no hydrogen 3.354 N/A HIS 28.A N SER 26.A OG no hydrogen 3.185 N/A HIS 28.A ND1 ASP 27.A OD1 no hydrogen 2.862 N/A TYR 30.A N PHE 41.A O no hydrogen 3.085 N/A TYR 30.A OH TYR 20.A OH no hydrogen 2.789 N/A LEU 31.A N ARG 23.A O no hydrogen 2.904 N/A TYR 32.A N LEU 39.A O no hydrogen 2.681 N/A GLN 34.A N ASN 37.A O no hydrogen 2.972 N/A ASN 37.A N GLN 34.A O no hydrogen 2.947 N/A ILE 38.A N LEU 52.A O no hydrogen 2.924 N/A LEU 39.A N TYR 32.A O no hydrogen 2.703 N/A VAL 40.A N SER 49.A O no hydrogen 3.075 N/A PHE 41.A N TYR 30.A O no hydrogen 2.664 N/A ASN 42.A N ASN 47.A O no hydrogen 3.184 N/A ALA 43.A N HIS 28.A O no hydrogen 3.006 N/A TYR 45.A N ASN 42.A OD1 no hydrogen 2.949 N/A GLY 46.A N ASN 42.A O no hydrogen 2.632 N/A SER 49.A N VAL 40.A O no hydrogen 3.166 N/A PHE 51.A N ILE 38.A O no hydrogen 2.911 N/A LEU 52.A N ILE 38.A O no hydrogen 3.179 N/A ASN 54.A N ASN 37.A OD1 no hydrogen 2.872 N/A THR 56.A N GLU 53.A O no hydrogen 3.060 N/A THR 56.A OG1 GLU 53.A O no hydrogen 2.698 N/A ASP 58.A N SER 55.A O no hydrogen 3.024 N/A PHE 60.A N PHE 57.A O no hydrogen 3.166 N/A ASN 65.A N GLU 79.A O no hydrogen 2.613 N/A ASP 66.A N GLU 79.A O no hydrogen 3.291 N/A TYR 67.A N ASP 66.A OD1 no hydrogen 2.651 N/A SER 68.A N LEU 77.A O no hydrogen 2.869 N/A SER 70.A N PHE 75.A O no hydrogen 2.972 N/A SER 70.A OG ASP 72.A OD1 no hydrogen 3.428 N/A SER 70.A OG PHE 75.A O no hydrogen 2.518 N/A ASP 72.A N GLY 123.A O no hydrogen 3.244 N/A GLY 73.A N SER 70.A O no hydrogen 3.017 N/A GLN 74.A N ASP 72.A OD1 no hydrogen 3.005 N/A PHE 75.A N SER 70.A OG no hydrogen 2.784 N/A ILE 76.A N TYR 97.A O no hydrogen 3.004 N/A LEU 77.A N SER 68.A O no hydrogen 2.706 N/A LEU 78.A N ASP 95.A O no hydrogen 2.911 N/A GLU 79.A N ASP 66.A O no hydrogen 2.698 N/A TYR 80.A N SER 93.A O no hydrogen 2.906 N/A ASN 81.A ND2 SER 93.A OG no hydrogen 3.371 N/A VAL 83.A N THR 91.A O no hydrogen 2.731 N/A GLN 85.A N SER 89.A O no hydrogen 3.042 N/A GLN 85.A NE2 SER 89.A OG no hydrogen 3.014 N/A TRP 86.A N SER 89.A OG no hydrogen 3.295 N/A ARG 87.A NE GLU 167.A OE1 no hydrogen 3.136 N/A ARG 87.A NE GLU 167.A OE2 no hydrogen 3.148 N/A ARG 87.A NH2 GLU 167.A OE2 no hydrogen 2.680 N/A HIS 88.A N GLU 166.A OE2 no hydrogen 2.517 N/A SER 89.A N GLU 166.A OE2 no hydrogen 2.773 N/A SER 89.A OG GLU 166.A OE1 no hydrogen 2.526 N/A SER 89.A OG GLU 166.A OE2 no hydrogen 2.939 N/A TYR 90.A OH GLU 79.A OE1 no hydrogen 2.892 N/A THR 91.A N VAL 83.A O no hydrogen 2.881 N/A ALA 92.A N THR 114.A O no hydrogen 3.039 N/A SER 93.A N TYR 80.A O no hydrogen 2.574 N/A SER 93.A OG ASN 112.A OD1 no hydrogen 2.652 N/A TYR 94.A OH GLU 79.A OE1 no hydrogen 2.458 N/A ASP 95.A N LEU 78.A O no hydrogen 3.174 N/A TYR 97.A N ILE 76.A O no hydrogen 2.839 N/A ASP 98.A N GLN 103.A O no hydrogen 2.942 N/A LEU 99.A N GLN 74.A O no hydrogen 2.971 N/A LYS 101.A N ASP 98.A OD1 no hydrogen 3.398 N/A ILE 105.A N ILE 96.A O no hydrogen 3.182 N/A ARG 109.A NE ILE 105.A O no hydrogen 3.299 N/A THR 114.A OG1 PRO 111.A O no hydrogen 2.496 N/A GLN 115.A N VAL 129.A O no hydrogen 2.698 N/A GLN 115.A NE2 ASN 132.A OD1 no hydrogen 2.684 N/A THR 118.A N ALA 127.A O no hydrogen 2.982 N/A THR 118.A OG1 TRP 119.A O no hydrogen 3.302 N/A TRP 119.A NE1 SER 68.A O no hydrogen 2.992 N/A SER 120.A N LYS 125.A O no hydrogen 2.919 N/A HIS 124.A ND1 ASP 72.A OD2 no hydrogen 2.526 N/A HIS 124.A NE2 GLU 139.A OE1 no hydrogen 2.981 N/A LYS 125.A NZ GLY 182.A O no hydrogen 3.105 N/A LYS 125.A NZ ASP 236.A OD1 no hydrogen 2.659 N/A LEU 126.A N LYS 137.A O no hydrogen 2.677 N/A ALA 127.A N THR 118.A O no hydrogen 3.032 N/A TYR 128.A N TYR 135.A O no hydrogen 3.169 N/A TYR 128.A OH SER 144.A OG no hydrogen 2.907 N/A VAL 129.A N TRP 116.A O no hydrogen 2.815 N/A TRP 130.A N ASP 133.A O no hydrogen 3.119 N/A ASN 132.A N GLN 115.A OE1 no hydrogen 2.924 N/A ASN 132.A ND2 ILE 156.A O no hydrogen 2.864 N/A ASP 133.A N TRP 130.A O no hydrogen 2.948 N/A ILE 134.A N THR 148.A OG1 no hydrogen 3.270 N/A TYR 135.A N TYR 128.A O no hydrogen 2.890 N/A VAL 136.A N TYR 145.A O no hydrogen 2.751 N/A LYS 137.A N LEU 126.A O no hydrogen 2.712 N/A LYS 137.A NZ GLU 108.A O no hydrogen 2.676 N/A LYS 137.A NZ LEU 142.A O no hydrogen 3.417 N/A LEU 142.A N GLU 139.A O no hydrogen 2.874 N/A SER 144.A OG TYR 128.A OH no hydrogen 2.907 N/A TYR 145.A N VAL 136.A O no hydrogen 2.867 N/A ARG 146.A NE THR 148.A O no hydrogen 3.058 N/A ARG 146.A NH2 ASP 133.A OD2 no hydrogen 3.128 N/A ILE 147.A N ILE 134.A O no hydrogen 2.853 N/A THR 148.A OG1 ASP 133.A OD1 no hydrogen 2.516 N/A GLY 151.A N ASP 133.A OD1 no hydrogen 2.870 N/A GLY 151.A N ASP 133.A OD2 no hydrogen 3.277 N/A LYS 152.A N ILE 156.A O no hydrogen 3.270 N/A ILE 155.A N LYS 152.A O no hydrogen 2.892 N/A ILE 156.A N LYS 152.A O no hydrogen 2.946 N/A TYR 157.A N PHE 190.A O no hydrogen 2.772 N/A ASN 158.A N ASN 132.A O no hydrogen 3.123 N/A ASN 158.A ND2 ASN 132.A O no hydrogen 3.268 N/A ASN 158.A ND2 ASP 133.A OD1 no hydrogen 2.891 N/A ASN 158.A ND2 THR 150.A OG1 no hydrogen 3.104 N/A GLY 159.A N ALA 188.A O no hydrogen 2.895 N/A THR 161.A N TYR 173.A O no hydrogen 3.022 N/A THR 161.A OG1 ALA 172.A O no hydrogen 2.985 N/A THR 161.A OG1 TYR 173.A O no hydrogen 3.294 N/A TRP 163.A NE1 ASP 671.A OD2 no hydrogen 2.812 N/A TYR 165.A N ASP 162.A OD1 no hydrogen 2.737 N/A GLU 166.A N ASP 162.A O no hydrogen 2.818 N/A GLU 167.A N TRP 163.A O no hydrogen 3.190 N/A GLU 168.A N VAL 164.A O no hydrogen 2.841 N/A VAL 169.A N TYR 165.A O no hydrogen 3.287 N/A PHE 170.A N TYR 165.A O no hydrogen 3.009 N/A ALA 172.A N GLU 166.A O no hydrogen 3.172 N/A ALA 175.A N GLY 159.A O no hydrogen 3.024 N/A TRP 177.A N ALA 186.A O no hydrogen 2.755 N/A SER 179.A N PHE 184.A O no hydrogen 2.997 N/A SER 179.A OG PHE 184.A O no hydrogen 3.230 N/A GLY 182.A N SER 179.A O no hydrogen 2.924 N/A GLY 182.A N SER 179.A OG no hydrogen 3.179 N/A THR 183.A OG1 ASP 236.A OD2 no hydrogen 3.409 N/A PHE 184.A N SER 179.A OG no hydrogen 3.051 N/A LEU 185.A N VAL 233.A O no hydrogen 2.864 N/A ALA 186.A N TRP 177.A O no hydrogen 3.081 N/A TYR 187.A N PHE 231.A O no hydrogen 2.952 N/A TYR 187.A OH SER 246.A OG no hydrogen 3.135 N/A ALA 188.A N ALA 175.A O no hydrogen 3.108 N/A GLN 189.A N LYS 229.A O no hydrogen 2.948 N/A GLN 189.A NE2 ASN 158.A OD1 no hydrogen 2.771 N/A PHE 190.A N TYR 157.A O no hydrogen 2.951 N/A ASN 191.A N THR 227.A O no hydrogen 3.321 N/A ASP 192.A N ILE 155.A O no hydrogen 2.706 N/A THR 193.A N ASN 191.A OD1 no hydrogen 3.141 N/A THR 193.A OG1 ASN 191.A OD1 no hydrogen 2.621 N/A VAL 195.A N ASP 192.A O no hydrogen 2.908 N/A ILE 198.A N VAL 216.A O no hydrogen 2.855 N/A TYR 200.A N VAL 214.A O no hydrogen 3.144 N/A PHE 202.A N LYS 212.A O no hydrogen 2.798 N/A TYR 203.A N ASP 699.A OD1 no hydrogen 2.944 N/A ASP 205.A N SER 204.A OG no hydrogen 2.663 N/A LEU 208.A N ASP 205.A O no hydrogen 3.125 N/A LYS 212.A N PHE 202.A O no hydrogen 3.013 N/A VAL 214.A N TYR 200.A O no hydrogen 2.910 N/A VAL 216.A N ILE 198.A O no hydrogen 3.122 N/A TYR 218.A N PRO 196.A O no hydrogen 3.070 N/A TYR 218.A OH ASN 672.A O no hydrogen 2.916 N/A LYS 220.A NZ TYR 623.A O no hydrogen 2.781 N/A LYS 220.A NZ HIS 674.A ND1 no hydrogen 2.940 N/A LYS 220.A NZ GLN 676.A OE1 no hydrogen 2.566 N/A ALA 221.A N TYR 624.A O no hydrogen 3.075 N/A GLY 222.A N GLU 630.A OE2 no hydrogen 2.592 N/A ALA 223.A N LYS 220.A O no hydrogen 2.998 N/A ASN 225.A ND2 SER 626.A OG no hydrogen 2.618 N/A THR 227.A N ASN 191.A O no hydrogen 3.299 N/A LYS 229.A N GLN 189.A O no hydrogen 3.017 N/A PHE 231.A N TYR 187.A O no hydrogen 3.044 N/A VAL 232.A N ILE 247.A O no hydrogen 2.831 N/A VAL 233.A N LEU 185.A O no hydrogen 2.752 N/A THR 235.A N THR 183.A O no hydrogen 2.795 N/A ASP 236.A N ASN 234.A OD1 no hydrogen 2.652 N/A SER 237.A N ASN 234.A O no hydrogen 3.451 N/A SER 237.A OG ASN 234.A O no hydrogen 3.038 N/A VAL 241.A N SER 239.A OG no hydrogen 2.813 N/A THR 242.A N SER 239.A OG no hydrogen 3.179 N/A SER 246.A OG TYR 187.A OH no hydrogen 3.135 N/A ILE 247.A N VAL 232.A O no hydrogen 3.198 N/A ILE 249.A N PHE 230.A O no hydrogen 2.579 N/A MET 255.A N PRO 252.A O no hydrogen 2.837 N/A LEU 256.A N PRO 252.A O no hydrogen 2.984 N/A TYR 261.A N LEU 278.A O no hydrogen 2.679 N/A TYR 261.A OH ASN 225.A OD1 no hydrogen 2.885 N/A LEU 262.A N TYR 165.A OH no hydrogen 3.452 N/A CYS 263.A N GLN 276.A O no hydrogen 2.994 N/A THR 266.A N SER 274.A O no hydrogen 2.902 N/A THR 266.A OG1 ASP 264.A OD2 no hydrogen 2.840 N/A TRP 267.A NE1 TRP 177.A O no hydrogen 2.981 N/A ALA 268.A N ARG 272.A O no hydrogen 2.826 N/A THR 269.A N ARG 272.A O no hydrogen 3.310 N/A GLU 271.A N THR 269.A OG1 no hydrogen 3.234 N/A ARG 272.A N THR 269.A O no hydrogen 3.134 N/A ARG 272.A NH1 ASN 331.A OD1 no hydrogen 3.488 N/A ILE 273.A N CYS 290.A O no hydrogen 2.858 N/A SER 274.A N THR 266.A O no hydrogen 2.813 N/A LEU 275.A N ASP 288.A O no hydrogen 2.962 N/A GLN 276.A N ASP 264.A O no hydrogen 2.920 N/A GLN 276.A NE2 SER 322.A O no hydrogen 2.924 N/A TRP 277.A N VAL 286.A O no hydrogen 2.944 N/A LEU 278.A N TYR 261.A O no hydrogen 3.031 N/A ARG 279.A N TYR 284.A O no hydrogen 3.214 N/A ARG 279.A NE SER 254.A O no hydrogen 3.162 N/A ARG 279.A NH2 SER 254.A O no hydrogen 3.028 N/A ARG 280.A N ASP 259.A O no hydrogen 2.910 N/A ARG 280.A NE GLU 630.A OE1 no hydrogen 2.543 N/A ARG 280.A NH1 ALA 223.A O no hydrogen 2.861 N/A ARG 280.A NH1 ASP 259.A OD2 no hydrogen 3.281 N/A ARG 280.A NH2 ALA 223.A O no hydrogen 2.991 N/A ARG 280.A NH2 GLU 630.A OE1 no hydrogen 3.099 N/A ARG 280.A NH2 GLU 630.A OE2 no hydrogen 2.570 N/A GLN 282.A NE2 VAL 627.A O no hydrogen 2.691 N/A ASN 283.A N ILE 281.A O no hydrogen 2.782 N/A SER 285.A N GLU 309.A O no hydrogen 2.894 N/A SER 285.A OG GLU 309.A O no hydrogen 3.092 N/A VAL 286.A N TRP 277.A O no hydrogen 2.976 N/A MET 287.A N HIS 307.A O no hydrogen 2.753 N/A ASP 288.A N LEU 275.A O no hydrogen 2.796 N/A CYS 290.A N ILE 273.A O no hydrogen 2.811 N/A CYS 290.A SG ASP 288.A OD2 no hydrogen 3.722 N/A ASP 291.A N ASN 300.A O no hydrogen 2.967 N/A TYR 292.A N GLU 271.A O no hydrogen 3.030 N/A ASP 293.A N ARG 298.A O no hydrogen 3.206 N/A SER 295.A N ASP 293.A OD1 no hydrogen 3.188 N/A SER 295.A OG ASP 293.A OD1 no hydrogen 3.525 N/A SER 296.A N ASP 293.A OD1 no hydrogen 3.316 N/A GLY 297.A N ASP 293.A O no hydrogen 2.679 N/A ARG 298.A N SER 296.A OG no hydrogen 3.243 N/A ASN 300.A N ASP 291.A O no hydrogen 2.901 N/A ARG 305.A N LEU 302.A O no hydrogen 2.764 N/A ARG 305.A NH2 ASP 352.A OD2 no hydrogen 2.937 N/A GLN 306.A NE2 ASP 288.A OD1 no hydrogen 3.487 N/A HIS 307.A N MET 287.A O no hydrogen 2.848 N/A GLU 309.A N SER 285.A O no hydrogen 2.961 N/A SER 311.A N ASN 283.A O no hydrogen 3.314 N/A SER 311.A OG TRP 315.A O no hydrogen 3.103 N/A GLY 314.A N SER 311.A OG no hydrogen 3.190 N/A TRP 315.A NE1 ARG 318.A O no hydrogen 2.922 N/A VAL 316.A N GLN 282.A O no hydrogen 3.345 N/A ARG 318.A NH1 VAL 366.A O no hydrogen 3.457 N/A ARG 318.A NH2 GLU 365.A OE1 no hydrogen 2.669 N/A ARG 318.A NH2 VAL 366.A O no hydrogen 3.358 N/A ARG 320.A NH2 SER 171.A OG no hydrogen 3.263 N/A SER 322.A OG ILE 336.A O no hydrogen 2.367 N/A HIS 325.A N TYR 334.A O no hydrogen 2.787 N/A THR 327.A N SER 332.A O no hydrogen 2.863 N/A THR 327.A OG1 ASP 329.A OD1 no hydrogen 3.002 N/A THR 327.A OG1 SER 332.A O no hydrogen 3.037 N/A THR 327.A OG1 SER 332.A OG no hydrogen 3.227 N/A GLY 330.A N THR 327.A O no hydrogen 3.029 N/A ASN 331.A N ASP 329.A OD1 no hydrogen 2.730 N/A SER 332.A OG THR 327.A OG1 no hydrogen 3.227 N/A PHE 333.A N PHE 349.A O no hydrogen 2.983 N/A TYR 334.A N HIS 325.A O no hydrogen 2.757 N/A LYS 335.A N CYS 347.A O no hydrogen 3.163 N/A LYS 335.A NZ GLN 276.A OE1 no hydrogen 3.216 N/A LYS 335.A NZ GLU 309.A OE2 no hydrogen 2.008 N/A LYS 335.A NZ SER 322.A O no hydrogen 3.153 N/A LYS 335.A NZ SER 322.A OG no hydrogen 3.334 N/A ILE 337.A N HIS 345.A O no hydrogen 2.936 N/A SER 338.A OG ASP 550.A OD2 no hydrogen 3.055 N/A ASN 339.A N TYR 343.A O no hydrogen 2.722 N/A GLY 342.A N ASN 339.A O no hydrogen 3.126 N/A ARG 344.A N GLU 365.A OE2 no hydrogen 3.259 N/A ARG 344.A NH2 ASP 550.A OD1 no hydrogen 2.908 N/A HIS 345.A N ILE 337.A O no hydrogen 2.851 N/A HIS 345.A ND1 THR 360.A OG1 no hydrogen 2.643 N/A HIS 345.A NE2 GLY 362.A O no hydrogen 3.038 N/A ILE 346.A N THR 360.A OG1 no hydrogen 3.038 N/A CYS 347.A N LYS 335.A O no hydrogen 3.113 N/A TYR 348.A N THR 357.A O no hydrogen 2.522 N/A PHE 349.A N PHE 333.A O no hydrogen 2.968 N/A GLN 350.A NE2 TYR 348.A OH no hydrogen 3.202 N/A ILE 351.A N ASN 331.A O no hydrogen 2.738 N/A LYS 353.A N GLN 350.A O no hydrogen 3.265 N/A LYS 353.A NZ GLN 350.A OE1 no hydrogen 2.849 N/A THR 357.A N TYR 348.A O no hydrogen 2.883 N/A ILE 359.A N ILE 346.A O no hydrogen 3.025 N/A THR 360.A OG1 HIS 345.A ND1 no hydrogen 2.643 N/A VAL 366.A N ARG 344.A O no hydrogen 3.101 N/A ILE 367.A N ILE 380.A O no hydrogen 2.550 N/A GLY 368.A N ILE 380.A O no hydrogen 3.206 N/A GLU 370.A N TYR 378.A O no hydrogen 2.810 N/A ALA 371.A N TYR 378.A O no hydrogen 3.329 N/A THR 373.A N TYR 376.A O no hydrogen 2.944 N/A THR 373.A OG1 TYR 376.A O no hydrogen 2.944 N/A TYR 376.A N THR 373.A OG1 no hydrogen 3.138 N/A LEU 377.A N ILE 396.A O no hydrogen 3.300 N/A TYR 378.A N ALA 371.A O no hydrogen 2.618 N/A TYR 379.A N TYR 394.A O no hydrogen 2.961 N/A ILE 380.A N GLY 368.A O no hydrogen 2.811 N/A SER 381.A N ASN 392.A O no hydrogen 3.146 N/A ASN 382.A N GLU 365.A O no hydrogen 3.252 N/A GLU 383.A N SER 381.A OG no hydrogen 2.695 N/A GLY 386.A N GLU 383.A O no hydrogen 2.894 N/A MET 387.A N TYR 384.A O no hydrogen 3.029 N/A GLY 390.A N MET 387.A O no hydrogen 2.853 N/A ARG 391.A N GLN 417.A O no hydrogen 2.882 N/A ASN 392.A N SER 381.A O no hydrogen 2.964 N/A LEU 393.A N SER 408.A OG no hydrogen 2.850 N/A TYR 394.A N TYR 379.A O no hydrogen 2.744 N/A LYS 395.A N THR 405.A O no hydrogen 3.007 N/A LYS 395.A NZ ASP 450.A OD1 no hydrogen 3.179 N/A ILE 396.A N LEU 377.A O no hydrogen 3.090 N/A GLN 397.A N LYS 403.A O no hydrogen 2.985 N/A LEU 398.A N ASP 375.A O no hydrogen 3.004 N/A ASP 400.A N GLN 397.A O no hydrogen 3.303 N/A THR 402.A N ASP 400.A OD1 no hydrogen 3.340 N/A THR 402.A OG1 ASP 400.A OD1 no hydrogen 2.697 N/A LYS 403.A N ASP 400.A O no hydrogen 2.889 N/A THR 405.A N LYS 395.A O no hydrogen 2.946 N/A CYS 406.A SG LEU 393.A O no hydrogen 3.687 N/A LEU 407.A N LEU 393.A O no hydrogen 2.937 N/A SER 408.A OG ASN 392.A OD1 no hydrogen 2.526 N/A CYS 409.A SG TYR 394.A OH no hydrogen 3.472 N/A LEU 411.A N SER 408.A O no hydrogen 3.161 N/A ARG 415.A NE LEU 439.A O no hydrogen 2.792 N/A ARG 415.A NH2 LEU 439.A O no hydrogen 2.731 N/A ARG 415.A NH2 PRO 440.A O no hydrogen 3.225 N/A ARG 415.A NH2 ASP 458.A O no hydrogen 3.242 N/A CYS 416.A N ASN 412.A O no hydrogen 2.616 N/A GLN 417.A N GLY 436.A O no hydrogen 2.715 N/A GLN 417.A NE2 PRO 413.A O no hydrogen 3.110 N/A TYR 419.A N ARG 391.A O no hydrogen 3.239 N/A SER 420.A N ARG 433.A O no hydrogen 2.790 N/A SER 422.A N GLN 431.A O no hydrogen 3.305 N/A SER 424.A N TYR 429.A O no hydrogen 3.127 N/A SER 424.A OG ASP 27.A O no hydrogen 3.308 N/A SER 424.A OG LYS 425.A O no hydrogen 3.534 N/A SER 424.A OG TYR 429.A O no hydrogen 3.290 N/A ALA 427.A N SER 424.A O no hydrogen 2.777 N/A TYR 429.A N SER 424.A OG no hydrogen 3.115 N/A TYR 429.A OH GLU 44.A OE1 no hydrogen 2.877 N/A TYR 430.A N HIS 445.A O no hydrogen 2.619 N/A TYR 430.A OH ASP 450.A OD2 no hydrogen 2.768 N/A GLN 431.A N SER 422.A O no hydrogen 3.099 N/A GLN 431.A NE2 TYR 20.A O no hydrogen 2.832 N/A LEU 432.A N THR 443.A O no hydrogen 2.380 N/A ARG 433.A N SER 420.A O no hydrogen 3.018 N/A CYS 434.A N LEU 441.A O no hydrogen 3.100 N/A CYS 434.A SG ARG 415.A O no hydrogen 3.977 N/A CYS 434.A SG GLY 436.A O no hydrogen 3.990 N/A SER 435.A N TYR 418.A O no hydrogen 2.704 N/A GLY 438.A N ARG 415.A O no hydrogen 2.865 N/A TYR 442.A N GLU 457.A O no hydrogen 2.901 N/A THR 443.A N LEU 432.A O no hydrogen 2.801 N/A LEU 444.A N ARG 454.A O no hydrogen 3.395 N/A HIS 445.A N TYR 430.A O no hydrogen 2.592 N/A SER 446.A N LYS 451.A O no hydrogen 3.177 N/A SER 447.A N LYS 428.A O no hydrogen 2.761 N/A SER 447.A OG ALA 427.A O no hydrogen 2.688 N/A LEU 453.A N LEU 444.A O no hydrogen 2.941 N/A ARG 454.A NH1 ALA 43.A O no hydrogen 2.736 N/A ARG 454.A NH2 ALA 43.A O no hydrogen 2.948 N/A LEU 456.A N TYR 442.A O no hydrogen 2.718 N/A GLU 457.A N TYR 442.A O no hydrogen 3.320 N/A ASN 459.A N GLU 457.A OE2 no hydrogen 2.676 N/A ASN 459.A ND2 LYS 18.A O no hydrogen 3.399 N/A ASN 459.A ND2 PRO 440.A O no hydrogen 2.669 N/A SER 460.A N ASP 458.A OD1 no hydrogen 2.764 N/A ASP 463.A N ASN 459.A O no hydrogen 3.029 N/A LYS 464.A N SER 460.A O no hydrogen 3.212 N/A LYS 464.A NZ ALA 461.A O no hydrogen 2.749 N/A MET 465.A N ALA 461.A O no hydrogen 3.225 N/A LEU 466.A N LEU 462.A O no hydrogen 2.992 N/A GLN 467.A N ASP 463.A O no hydrogen 2.949 N/A GLN 467.A N LYS 464.A O no hydrogen 3.025 N/A GLN 467.A NE2 ASP 463.A OD2 no hydrogen 2.925 N/A ASN 468.A N MET 465.A O no hydrogen 3.014 N/A VAL 469.A N LEU 466.A O no hydrogen 3.065 N/A GLN 470.A N LYS 3.A O no hydrogen 2.850 N/A SER 473.A N LEU 492.A O no hydrogen 2.800 N/A LYS 474.A NZ GLN 489.A OE1 no hydrogen 3.069 N/A LYS 474.A NZ ASP 518.A O no hydrogen 3.031 N/A LYS 474.A NZ ASP 518.A OD1 no hydrogen 3.425 N/A LYS 474.A NZ VAL 520.A O no hydrogen 3.091 N/A LYS 475.A N MET 490.A O no hydrogen 2.893 N/A ASP 477.A N TYR 488.A O no hydrogen 2.905 N/A PHE 478.A N ASP 477.A OD1 no hydrogen 2.685 N/A ILE 479.A N PHE 486.A O no hydrogen 2.935 N/A LEU 481.A N THR 484.A O no hydrogen 3.143 N/A PHE 486.A N ILE 479.A O no hydrogen 2.969 N/A TYR 488.A N ASP 477.A O no hydrogen 2.711 N/A GLN 489.A N SER 539.A O no hydrogen 3.055 N/A MET 490.A N LYS 475.A O no hydrogen 2.521 N/A ILE 491.A N VAL 537.A O no hydrogen 2.955 N/A LEU 492.A N SER 473.A O no hydrogen 2.728 N/A ASP 497.A N TYR 502.A OH no hydrogen 2.870 N/A SER 499.A N ASP 497.A OD1 no hydrogen 2.850 N/A SER 499.A OG ASP 497.A OD1 no hydrogen 2.572 N/A SER 499.A OG ASP 497.A OD2 no hydrogen 2.888 N/A LYS 500.A N ASP 497.A O no hydrogen 2.832 N/A TYR 502.A N PHE 580.A O no hydrogen 2.669 N/A LEU 504.A N ARG 585.A O no hydrogen 3.034 N/A LEU 505.A N ILE 536.A O no hydrogen 2.870 N/A LEU 506.A N ALA 587.A O no hydrogen 2.899 N/A ASP 507.A N ALA 538.A O no hydrogen 2.609 N/A VAL 508.A N TRP 589.A O no hydrogen 3.053 N/A CYS 513.A N GLY 544.A O no hydrogen 3.039 N/A SER 514.A N GLY 511.A O no hydrogen 3.035 N/A SER 514.A OG GLY 511.A O no hydrogen 2.658 N/A GLN 515.A NE2 PRO 388.A O no hydrogen 2.815 N/A LYS 516.A N ASP 541.A OD1 no hydrogen 2.685 N/A LYS 516.A NZ ASP 507.A OD1 no hydrogen 3.165 N/A LYS 516.A NZ ASP 507.A OD2 no hydrogen 3.334 N/A ALA 517.A N ASP 541.A OD2 no hydrogen 3.079 N/A ASP 518.A N GLN 489.A OE1 no hydrogen 2.981 N/A THR 519.A N GLY 389.A O no hydrogen 3.096 N/A THR 519.A OG1 GLY 389.A O no hydrogen 3.072 N/A VAL 520.A N ASP 518.A OD1 no hydrogen 2.617 N/A PHE 521.A N SER 435.A O no hydrogen 2.720 N/A ARG 522.A NH1 ASP 518.A OD1 no hydrogen 3.249 N/A ARG 522.A NH1 ASP 518.A OD2 no hydrogen 3.429 N/A ARG 522.A NH2 ASP 518.A OD2 no hydrogen 2.910 N/A ASN 524.A N THR 527.A OG1 no hydrogen 2.956 N/A THR 527.A N ASN 524.A OD1 no hydrogen 2.948 N/A THR 527.A OG1 ASN 524.A OD1 no hydrogen 3.157 N/A TYR 528.A N ASN 524.A O no hydrogen 3.437 N/A TYR 528.A OH GLU 533.A OE2 no hydrogen 2.776 N/A LEU 529.A N TRP 525.A O no hydrogen 3.016 N/A ALA 530.A N ALA 526.A O no hydrogen 3.129 N/A SER 531.A N THR 527.A O no hydrogen 3.085 N/A SER 531.A OG THR 4.A OG1 no hydrogen 3.393 N/A SER 531.A OG GLN 470.A O no hydrogen 2.918 N/A THR 532.A N TYR 528.A O no hydrogen 3.001 N/A THR 532.A OG1 TYR 5.A O no hydrogen 2.458 N/A ASN 534.A N ALA 530.A O no hydrogen 3.027 N/A ILE 535.A N LEU 529.A O no hydrogen 2.960 N/A ILE 536.A N PRO 503.A O no hydrogen 3.067 N/A VAL 537.A N ILE 491.A O no hydrogen 3.230 N/A ALA 538.A N LEU 505.A O no hydrogen 2.743 N/A SER 539.A N GLN 489.A O no hydrogen 3.156 N/A SER 539.A OG ASP 507.A O no hydrogen 2.711 N/A ASP 541.A N TRP 487.A O no hydrogen 2.863 N/A ARG 543.A N ASP 567.A OD2 no hydrogen 2.919 N/A ARG 543.A NE ASP 567.A OD1 no hydrogen 3.476 N/A ARG 543.A NE ASP 567.A OD2 no hydrogen 2.928 N/A ARG 543.A NH2 ASP 567.A OD1 no hydrogen 2.912 N/A GLY 544.A N ILE 552.A O no hydrogen 2.802 N/A SER 545.A N GLY 542.A O no hydrogen 2.868 N/A SER 545.A OG GLY 542.A O no hydrogen 2.463 N/A SER 545.A OG GLN 548.A OE1 no hydrogen 3.245 N/A GLY 546.A N SER 514.A O no hydrogen 3.246 N/A ASP 550.A N GLY 342.A O no hydrogen 2.784 N/A MET 553.A N GLY 549.A O no hydrogen 3.201 N/A HIS 554.A N ASP 550.A O no hydrogen 2.812 N/A ALA 555.A N ILE 552.A O no hydrogen 3.395 N/A ASN 557.A N HIS 554.A O no hydrogen 2.842 N/A ARG 558.A N TYR 632.A O no hydrogen 2.480 N/A ARG 558.A NH2 ASP 640.A OD1 no hydrogen 2.164 N/A ARG 559.A N ILE 556.A O no hydrogen 2.972 N/A GLY 561.A N GLU 564.A OE1 no hydrogen 3.004 N/A GLY 561.A N GLU 564.A OE2 no hydrogen 2.970 N/A THR 562.A OG1 ARG 559.A O no hydrogen 2.428 N/A GLU 564.A N GLU 564.A OE1 no hydrogen 2.924 N/A GLU 566.A N THR 562.A O no hydrogen 2.979 N/A ASP 567.A N PHE 563.A O no hydrogen 2.919 N/A GLN 568.A N VAL 565.A O no hydrogen 2.889 N/A GLN 568.A NE2 PHE 540.A O no hydrogen 2.840 N/A ILE 569.A N VAL 565.A O no hydrogen 3.462 N/A GLU 570.A N GLU 566.A O no hydrogen 2.980 N/A ALA 571.A N ASP 567.A O no hydrogen 2.944 N/A ALA 572.A N GLN 568.A O no hydrogen 3.105 N/A ARG 573.A N ILE 569.A O no hydrogen 2.997 N/A GLN 574.A N GLU 570.A O no hydrogen 2.868 N/A PHE 575.A N ALA 571.A O no hydrogen 2.863 N/A SER 576.A N ALA 572.A O no hydrogen 3.102 N/A SER 576.A N ARG 573.A O no hydrogen 2.971 N/A SER 576.A OG ALA 572.A O no hydrogen 2.790 N/A SER 576.A OG ARG 573.A O no hydrogen 3.375 N/A LYS 577.A N ARG 573.A O no hydrogen 3.336 N/A ASP 582.A N TYR 502.A O no hydrogen 2.862 N/A LYS 584.A N ASP 582.A OD2 no hydrogen 3.002 N/A ARG 585.A N ASP 582.A O no hydrogen 2.949 N/A ARG 585.A NE ASP 582.A OD1 no hydrogen 2.760 N/A ARG 585.A NH1 PHE 725.A O no hydrogen 3.113 N/A ARG 585.A NH2 ASP 582.A OD1 no hydrogen 3.482 N/A ALA 587.A N LEU 504.A O no hydrogen 2.704 N/A ILE 588.A N CYS 611.A O no hydrogen 3.046 N/A TRP 589.A N LEU 506.A O no hydrogen 3.128 N/A GLY 590.A N ILE 613.A O no hydrogen 3.034 N/A TRP 591.A NE1 HIS 702.A O no hydrogen 2.769 N/A SER 592.A N VAL 615.A O no hydrogen 2.931 N/A SER 592.A OG HIS 702.A NE2 no hydrogen 2.505 N/A TYR 593.A OH GLU 564.A OE2 no hydrogen 2.171 N/A GLY 594.A N TRP 591.A O no hydrogen 2.747 N/A TYR 596.A N SER 592.A O no hydrogen 2.992 N/A TYR 596.A OH SER 648.A O no hydrogen 2.589 N/A VAL 597.A N TYR 593.A O no hydrogen 2.927 N/A THR 598.A N GLY 594.A O no hydrogen 2.909 N/A THR 598.A OG1 GLY 594.A O no hydrogen 3.293 N/A SER 599.A N GLY 595.A O no hydrogen 3.063 N/A SER 599.A OG GLY 595.A O no hydrogen 2.526 N/A SER 599.A OG TYR 662.A OH no hydrogen 3.228 N/A MET 600.A N TYR 596.A O no hydrogen 2.925 N/A VAL 601.A N VAL 597.A O no hydrogen 2.583 N/A LEU 602.A N THR 598.A O no hydrogen 2.641 N/A GLY 603.A N SER 599.A O no hydrogen 3.134 N/A SER 604.A N VAL 601.A O no hydrogen 2.889 N/A SER 604.A OG VAL 601.A O no hydrogen 2.884 N/A SER 606.A N SER 604.A OG no hydrogen 3.291 N/A VAL 608.A N SER 606.A OG no hydrogen 2.905 N/A LYS 610.A N ILE 586.A O no hydrogen 3.133 N/A LYS 610.A NZ CYS 724.A O no hydrogen 2.563 N/A GLY 612.A N GLU 661.A O no hydrogen 3.117 N/A ILE 613.A N ILE 588.A O no hydrogen 2.798 N/A ALA 614.A N LEU 663.A O no hydrogen 2.771 N/A VAL 615.A N GLY 590.A O no hydrogen 2.854 N/A ALA 616.A N ILE 665.A O no hydrogen 3.014 N/A SER 619.A OG GLN 677.A O no hydrogen 2.740 N/A TRP 621.A NE1 TYR 596.A OH no hydrogen 3.154 N/A TYR 623.A N ARG 620.A O no hydrogen 2.904 N/A TYR 624.A N TRP 621.A O no hydrogen 3.239 N/A TYR 624.A OH GLU 168.A OE2 no hydrogen 3.336 N/A SER 626.A N PRO 219.A O no hydrogen 2.841 N/A SER 626.A OG PRO 219.A O no hydrogen 3.493 N/A TYR 628.A N ASP 625.A OD1 no hydrogen 3.040 N/A THR 629.A N ASP 625.A O no hydrogen 3.090 N/A THR 629.A OG1 ASP 625.A O no hydrogen 2.472 N/A GLU 630.A N SER 626.A O no hydrogen 3.018 N/A ARG 631.A N TYR 628.A O no hydrogen 3.117 N/A ARG 631.A NE TYR 632.A OH no hydrogen 2.914 N/A ARG 631.A NH1 GLN 282.A OE1 no hydrogen 3.361 N/A ARG 631.A NH2 TYR 632.A OH no hydrogen 3.069 N/A TYR 632.A N THR 629.A O no hydrogen 3.205 N/A MET 633.A N THR 629.A O no hydrogen 2.795 N/A GLY 634.A N GLU 630.A O no hydrogen 3.135 N/A LEU 635.A N ASP 640.A OD2 no hydrogen 2.908 N/A ASP 640.A N THR 637.A O no hydrogen 3.073 N/A ASP 640.A N THR 637.A OG1 no hydrogen 3.201 N/A ASN 641.A N LEU 635.A O no hydrogen 2.899 N/A LEU 642.A N THR 637.A O no hydrogen 2.960 N/A HIS 644.A NE2 LEU 560.A O no hydrogen 2.461 N/A TYR 645.A N ASN 641.A O no hydrogen 3.386 N/A TYR 645.A OH GLY 634.A O no hydrogen 2.669 N/A ARG 646.A N LEU 642.A O no hydrogen 3.102 N/A ARG 646.A N ASP 643.A O no hydrogen 2.784 N/A ARG 646.A NE GLU 622.A OE1 no hydrogen 2.784 N/A ARG 646.A NH2 GLU 622.A OE1 no hydrogen 3.394 N/A ARG 646.A NH2 GLU 622.A OE2 no hydrogen 2.689 N/A ASN 647.A N ASP 643.A O no hydrogen 2.918 N/A ASN 647.A N HIS 644.A O no hydrogen 3.161 N/A SER 648.A OG HIS 644.A O no hydrogen 2.894 N/A SER 648.A OG TYR 645.A O no hydrogen 3.321 N/A THR 649.A OG1 SER 652.A OG no hydrogen 2.866 N/A VAL 650.A N SER 619.A O no hydrogen 3.148 N/A SER 652.A N THR 649.A OG1 no hydrogen 3.164 N/A SER 652.A OG THR 649.A O no hydrogen 2.885 N/A SER 652.A OG THR 649.A OG1 no hydrogen 2.866 N/A ARG 653.A N VAL 650.A O no hydrogen 3.190 N/A ARG 653.A NH1 MET 600.A O no hydrogen 3.016 N/A ALA 654.A N MET 651.A O no hydrogen 3.151 N/A ASN 656.A N ARG 653.A O no hydrogen 2.827 N/A ASN 656.A ND2 GLY 603.A O no hydrogen 2.360 N/A PHE 657.A N ALA 654.A O no hydrogen 3.024 N/A LYS 658.A N GLU 655.A O no hydrogen 3.297 N/A GLN 659.A N ASN 656.A O no hydrogen 2.880 N/A VAL 660.A N PHE 657.A O no hydrogen 3.130 N/A GLU 661.A N LYS 610.A O no hydrogen 3.237 N/A TYR 662.A OH SER 599.A OG no hydrogen 3.228 N/A LEU 663.A N GLY 612.A O no hydrogen 3.110 N/A LEU 664.A N GLN 693.A O no hydrogen 2.999 N/A ILE 665.A N ALA 614.A O no hydrogen 2.986 N/A HIS 666.A N MET 695.A O no hydrogen 3.122 N/A HIS 666.A ND1 SER 678.A OG no hydrogen 2.180 N/A HIS 666.A NE2 VAL 673.A O no hydrogen 2.740 N/A THR 668.A N TYR 697.A O no hydrogen 3.007 N/A ALA 669.A N GLU 700.A O no hydrogen 2.972 N/A ASP 670.A N GLY 667.A O no hydrogen 3.408 N/A ASN 672.A N ASP 670.A OD1 no hydrogen 2.998 N/A ASN 672.A ND2 TYR 624.A OH no hydrogen 2.536 N/A VAL 673.A N ASP 670.A OD1 no hydrogen 2.823 N/A GLN 677.A N HIS 674.A O no hydrogen 2.641 N/A GLN 677.A NE2 SER 619.A OG no hydrogen 3.385 N/A GLN 677.A NE2 ARG 620.A O no hydrogen 3.312 N/A SER 678.A OG HIS 666.A ND1 no hydrogen 2.180 N/A ALA 679.A N PHE 675.A O no hydrogen 2.836 N/A GLN 680.A N GLN 676.A O no hydrogen 3.042 N/A SER 682.A N SER 678.A O no hydrogen 2.867 N/A SER 682.A OG ALA 679.A O no hydrogen 3.120 N/A LYS 683.A N ALA 679.A O no hydrogen 3.298 N/A LYS 683.A NZ GLN 680.A OE1 no hydrogen 3.437 N/A ALA 684.A N GLN 680.A O no hydrogen 3.307 N/A ALA 684.A N ILE 681.A O no hydrogen 3.058 N/A LEU 685.A N ILE 681.A O no hydrogen 3.034 N/A VAL 686.A N SER 682.A O no hydrogen 3.001 N/A ASP 687.A N LYS 683.A O no hydrogen 2.831 N/A VAL 688.A N LEU 685.A O no hydrogen 3.392 N/A GLY 689.A N VAL 686.A O no hydrogen 3.102 N/A VAL 690.A N LEU 685.A O no hydrogen 3.076 N/A GLN 693.A N TYR 662.A O no hydrogen 2.924 N/A MET 695.A N LEU 664.A O no hydrogen 2.883 N/A TYR 697.A N HIS 666.A O no hydrogen 3.071 N/A ASP 699.A N THR 668.A OG1 no hydrogen 3.019 N/A HIS 702.A ND1 ASP 670.A OD2 no hydrogen 2.630 N/A HIS 702.A NE2 SER 592.A OG no hydrogen 2.505 N/A GLY 703.A N ASP 701.A OD1 no hydrogen 2.941 N/A ILE 704.A N ASP 701.A O no hydrogen 3.269 N/A SER 706.A N GLU 700.A OE1 no hydrogen 3.397 N/A SER 706.A OG GLU 700.A OE2 no hydrogen 2.915 N/A HIS 710.A N SER 706.A O no hydrogen 2.876 N/A GLN 711.A N SER 707.A O no hydrogen 2.935 N/A GLN 711.A NE2 SER 707.A O no hydrogen 3.127 N/A HIS 712.A N THR 708.A O no hydrogen 2.911 N/A ILE 713.A N ALA 709.A O no hydrogen 2.921 N/A TYR 714.A N HIS 710.A O no hydrogen 3.232 N/A THR 715.A N GLN 711.A O no hydrogen 2.934 N/A THR 715.A OG1 GLN 711.A O no hydrogen 2.421 N/A HIS 716.A N HIS 712.A O no hydrogen 2.828 N/A MET 717.A N ILE 713.A O no hydrogen 2.754 N/A SER 718.A N TYR 714.A O no hydrogen 3.067 N/A SER 718.A OG TYR 714.A O no hydrogen 2.726 N/A HIS 719.A N THR 715.A O no hydrogen 3.086 N/A PHE 720.A N MET 717.A O no hydrogen 2.979 N/A ILE 721.A N MET 717.A O no hydrogen 2.953 N/A LYS 722.A N SER 718.A O no hydrogen 2.870 N/A LYS 722.A NZ GLU 533.A OE2 no hydrogen 3.493 N/A GLN 723.A N HIS 719.A O no hydrogen 3.257 N/A GLN 723.A NE2 GLU 661.A OE1 no hydrogen 3.492 N/A GLN 723.A NE2 PHE 720.A O no hydrogen 3.333 N/A CYS 724.A N PHE 720.A O no hydrogen 3.029 N/A PHE 725.A N ILE 721.A O no hydrogen 2.840 N/A PHE 725.A N LYS 722.A O no hydrogen 3.129 N/A SER 726.A N GLN 723.A O no hydrogen 3.302 N/A LEU 727.A N LYS 722.A O no hydrogen 2.784 N/A