Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wns_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N LYS 21.A O no hydrogen 3.382 N/A MET 1.A N GLU 22.A OE2 no hydrogen 3.174 N/A LEU 3.A N PHE 19.A O no hydrogen 2.595 N/A ASP 4.A N PHE 19.A O no hydrogen 2.993 N/A ASP 6.A N ARG 17.A O no hydrogen 3.356 N/A ILE 8.A N VAL 15.A O no hydrogen 2.640 N/A THR 9.A OG1 HIS 89.A NE2 no hydrogen 2.899 N/A GLU 10.A N LYS 13.A O no hydrogen 2.739 N/A LYS 13.A N GLU 10.A O no hydrogen 2.853 N/A LYS 13.A NZ GLU 10.A O no hydrogen 3.044 N/A VAL 15.A N ILE 8.A O no hydrogen 2.512 N/A ILE 16.A N ASP 31.A O no hydrogen 3.078 N/A ARG 17.A N ASP 6.A O no hydrogen 2.927 N/A ARG 17.A NE ASP 6.A OD1 no hydrogen 2.756 N/A ARG 17.A NH1 ASP 235.A OD1 no hydrogen 2.857 N/A ARG 17.A NH2 ASP 6.A OD1 no hydrogen 3.250 N/A ARG 17.A NH2 ASP 6.A OD2 no hydrogen 2.612 N/A ILE 18.A N GLU 29.A O no hydrogen 3.113 N/A LYS 20.A N LYS 27.A O no hydrogen 3.205 N/A LYS 20.A NZ GLU 29.A OE1 no hydrogen 2.823 N/A LYS 20.A NZ GLU 29.A OE2 no hydrogen 2.463 N/A LYS 21.A N MET 1.A O no hydrogen 2.544 N/A LYS 21.A NZ ASP 204.A OD1 no hydrogen 3.065 N/A GLY 24.A N GLU 133.A OE1 no hydrogen 2.760 N/A LYS 27.A N LYS 20.A O no hydrogen 3.156 N/A ASP 31.A N ILE 16.A O no hydrogen 3.081 N/A THR 33.A N ASP 31.A OD1 no hydrogen 2.955 N/A THR 33.A OG1 ASP 31.A OD1 no hydrogen 2.825 N/A TYR 37.A OH ASP 123.A OD2 no hydrogen 2.814 N/A PHE 38.A N LEU 85.A O no hydrogen 3.175 N/A TYR 39.A N TYR 110.A O no hydrogen 2.959 N/A ALA 40.A N TRP 83.A O no hydrogen 3.043 N/A LEU 41.A N ASP 108.A O no hydrogen 2.566 N/A LYS 43.A N ALA 105.A O no hydrogen 3.168 N/A ALA 47.A N ASP 44.A O no hydrogen 3.083 N/A GLU 49.A N SER 46.A O no hydrogen 3.098 N/A VAL 51.A N ALA 47.A O no hydrogen 2.996 N/A LYS 52.A N ILE 48.A O no hydrogen 2.975 N/A LYS 52.A NZ GLU 49.A OE2 no hydrogen 3.363 N/A LYS 53.A NZ GLU 49.A OE2 no hydrogen 3.403 N/A ILE 54.A N VAL 51.A O no hydrogen 2.591 N/A ALA 56.A N VAL 63.A O no hydrogen 3.304 N/A ARG 58.A N THR 61.A O no hydrogen 2.505 N/A THR 61.A N ARG 58.A O no hydrogen 2.644 N/A THR 61.A OG1 HIS 59.A O no hydrogen 3.249 N/A VAL 63.A N ALA 56.A O no hydrogen 2.644 N/A LYS 66.A NZ GLU 35.A OE1 no hydrogen 2.860 N/A ARG 67.A NH1 GLU 35.A OE1 no hydrogen 3.277 N/A ARG 67.A NH2 GLU 35.A OE2 no hydrogen 3.215 N/A GLU 69.A N LYS 84.A O no hydrogen 3.193 N/A LYS 70.A NZ ASP 45.A OD2 no hydrogen 2.831 N/A LYS 70.A NZ GLU 81.A OE2 no hydrogen 2.923 N/A VAL 71.A N VAL 82.A O no hydrogen 2.606 N/A LYS 73.A N VAL 80.A O no hydrogen 2.987 N/A LYS 73.A NZ ASN 365.A OD1 no hydrogen 3.385 N/A LYS 74.A N ASN 365.A O no hydrogen 3.285 N/A PHE 75.A N ARG 78.A O no hydrogen 3.002 N/A LEU 76.A N GLU 366.A OE1 no hydrogen 3.021 N/A GLY 77.A N GLU 366.A OE2 no hydrogen 3.005 N/A VAL 80.A N LYS 73.A O no hydrogen 3.152 N/A VAL 82.A N VAL 71.A O no hydrogen 3.027 N/A TRP 83.A N ALA 40.A O no hydrogen 3.134 N/A TRP 83.A NE1 ASP 45.A OD1 no hydrogen 2.741 N/A LYS 84.A N GLU 69.A O no hydrogen 2.874 N/A LYS 84.A NZ TYR 86.A OH no hydrogen 2.951 N/A LEU 85.A N PHE 38.A O no hydrogen 2.939 N/A TYR 86.A N ARG 67.A O no hydrogen 2.765 N/A TYR 86.A OH GLU 69.A OE1 no hydrogen 3.083 N/A PHE 87.A N PRO 36.A O no hydrogen 3.136 N/A THR 88.A OG1 ASP 92.A OD2 no hydrogen 3.425 N/A HIS 89.A NE2 THR 9.A OG1 no hydrogen 2.899 N/A GLN 91.A N HIS 89.A ND1 no hydrogen 2.772 N/A ASP 92.A N HIS 89.A O no hydrogen 2.934 N/A VAL 93.A N PRO 90.A O no hydrogen 3.089 N/A ALA 95.A N ASP 92.A O no hydrogen 3.117 N/A ILE 96.A N VAL 93.A O no hydrogen 2.535 N/A ARG 97.A N VAL 93.A O no hydrogen 3.180 N/A ILE 100.A N ILE 96.A O no hydrogen 3.110 N/A ILE 100.A N ARG 97.A O no hydrogen 2.870 N/A ARG 101.A N ARG 97.A O no hydrogen 2.913 N/A GLU 102.A N ASP 98.A O no hydrogen 3.192 N/A ALA 105.A N HIS 103.A ND1 no hydrogen 3.221 N/A VAL 106.A N HIS 103.A O no hydrogen 3.241 N/A ILE 107.A N LEU 41.A O no hydrogen 2.643 N/A ASP 108.A N LEU 41.A O no hydrogen 3.418 N/A ILE 109.A N ASP 108.A OD1 no hydrogen 3.237 N/A TYR 110.A N TYR 39.A O no hydrogen 2.914 N/A LYS 118.A NZ ASP 343.A OD1 no hydrogen 2.943 N/A ARG 119.A N PRO 115.A O no hydrogen 2.655 N/A ARG 119.A NE ASP 123.A OD1 no hydrogen 2.624 N/A ARG 119.A NH1 GLU 111.A OE1 no hydrogen 2.857 N/A ARG 119.A NH2 GLU 111.A OE1 no hydrogen 3.258 N/A ARG 119.A NH2 ASP 123.A OD1 no hydrogen 3.171 N/A TYR 120.A N PHE 116.A O no hydrogen 2.857 N/A TYR 120.A OH ASP 31.A OD2 no hydrogen 2.705 N/A LEU 121.A N ALA 117.A O no hydrogen 3.302 N/A ILE 122.A N LYS 118.A O no hydrogen 3.284 N/A ASP 123.A N ARG 119.A O no hydrogen 2.855 N/A LYS 124.A N TYR 120.A O no hydrogen 2.975 N/A GLY 125.A N ILE 122.A O no hydrogen 3.084 N/A LEU 126.A N LEU 121.A O no hydrogen 3.263 N/A MET 129.A N ILE 2.A O no hydrogen 3.038 N/A LYS 136.A N ASP 204.A OD2 no hydrogen 2.842 N/A LEU 138.A N VAL 205.A O no hydrogen 3.304 N/A PHE 140.A N ILE 207.A O no hydrogen 2.948 N/A ASP 141.A N SER 161.A O no hydrogen 3.125 N/A ILE 142.A N ASP 141.A OD2 no hydrogen 2.498 N/A GLU 143.A N MET 159.A O no hydrogen 3.487 N/A GLU 154.A N GLU 151.A O no hydrogen 3.186 N/A ILE 157.A N GLU 187.A OE2 no hydrogen 3.257 N/A LEU 158.A N GLU 143.A O no hydrogen 2.678 N/A MET 159.A N GLU 143.A O no hydrogen 3.066 N/A ILE 160.A N ILE 171.A O no hydrogen 2.673 N/A SER 161.A OG ASP 141.A O no hydrogen 3.509 N/A SER 161.A OG SER 312.A O no hydrogen 3.061 N/A SER 161.A OG SER 312.A OG no hydrogen 2.648 N/A TYR 162.A N ARG 169.A O no hydrogen 2.866 N/A ALA 163.A N ALA 139.A O no hydrogen 2.872 N/A GLU 166.A N ASP 164.A OD1 no hydrogen 2.586 N/A ARG 169.A N TYR 162.A O no hydrogen 2.849 N/A VAL 170.A N TYR 180.A O no hydrogen 2.898 N/A ILE 171.A N ILE 160.A O no hydrogen 2.849 N/A THR 172.A N ASP 182.A O no hydrogen 3.270 N/A THR 172.A OG1 LEU 158.A O no hydrogen 3.339 N/A VAL 181.A N LEU 178.A O no hydrogen 2.750 N/A ASP 182.A N VAL 170.A O no hydrogen 3.060 N/A VAL 184.A N THR 172.A O no hydrogen 2.986 N/A ARG 188.A N THR 186.A OG1 no hydrogen 3.350 N/A MET 190.A N THR 186.A O no hydrogen 3.342 N/A ILE 191.A N GLU 187.A O no hydrogen 3.518 N/A LYS 192.A N ARG 188.A O no hydrogen 3.104 N/A ARG 193.A N GLU 189.A O no hydrogen 3.161 N/A ARG 193.A N MET 190.A O no hydrogen 2.841 N/A PHE 194.A N MET 190.A O no hydrogen 3.224 N/A LEU 195.A N ILE 191.A O no hydrogen 3.394 N/A ARG 196.A N LYS 192.A O no hydrogen 3.079 N/A VAL 197.A N ARG 193.A O no hydrogen 2.600 N/A VAL 198.A N PHE 194.A O no hydrogen 2.597 N/A LYS 199.A N LEU 195.A O no hydrogen 2.771 N/A LYS 201.A N VAL 197.A O no hydrogen 2.834 N/A ASP 202.A N VAL 198.A O no hydrogen 2.872 N/A ASP 204.A N LYS 136.A O no hydrogen 2.623 N/A VAL 205.A N LYS 136.A O no hydrogen 3.110 N/A LEU 206.A N ILE 256.A O no hydrogen 2.968 N/A ILE 207.A N LEU 138.A O no hydrogen 3.047 N/A THR 208.A N PHE 258.A O no hydrogen 3.044 N/A THR 208.A OG1 HIS 257.A NE2 no hydrogen 2.764 N/A TYR 209.A OH TYR 273.A O no hydrogen 2.513 N/A ASN 210.A N ASP 259.A OD2 no hydrogen 2.753 N/A ASP 212.A N ASP 259.A OD1 no hydrogen 2.795 N/A ASN 213.A N ASN 210.A O no hydrogen 3.382 N/A ASN 213.A ND2 ASN 210.A OD1 no hydrogen 3.414 N/A PHE 214.A N ASN 210.A O no hydrogen 3.106 N/A TYR 218.A N PHE 214.A O no hydrogen 2.930 N/A TYR 218.A N ASP 215.A O no hydrogen 3.074 N/A TYR 218.A OH GLY 155.A O no hydrogen 2.749 N/A LEU 219.A N ASP 215.A O no hydrogen 3.204 N/A LYS 220.A N PHE 216.A O no hydrogen 3.030 N/A LYS 221.A N ALA 217.A O no hydrogen 3.455 N/A LYS 221.A NZ PHE 152.A O no hydrogen 3.285 N/A ARG 222.A N TYR 218.A O no hydrogen 3.022 N/A ARG 222.A NE GLU 187.A OE2 no hydrogen 2.608 N/A ARG 222.A NH1 ALA 153.A O no hydrogen 3.133 N/A ARG 222.A NH2 GLU 187.A OE1 no hydrogen 2.671 N/A ARG 222.A NH2 GLU 187.A OE2 no hydrogen 3.116 N/A CYS 223.A N LYS 220.A O no hydrogen 2.847 N/A CYS 223.A SG LEU 219.A O no hydrogen 3.072 N/A GLU 224.A N LYS 220.A O no hydrogen 3.042 N/A GLU 224.A N LYS 221.A O no hydrogen 2.756 N/A LYS 225.A N LYS 221.A O no hydrogen 2.942 N/A GLY 227.A N GLU 224.A O no hydrogen 2.801 N/A ILE 228.A N CYS 223.A O no hydrogen 2.812 N/A PHE 230.A N GLU 238.A OE1 no hydrogen 3.273 N/A LEU 232.A N PHE 230.A O no hydrogen 2.607 N/A GLY 233.A N SER 237.A O no hydrogen 3.223 N/A ARG 234.A N LYS 253.A O no hydrogen 3.175 N/A ARG 234.A NE GLY 254.A O no hydrogen 3.097 N/A ARG 234.A NH1 ASP 204.A OD1 no hydrogen 2.960 N/A ARG 234.A NH1 GLY 254.A O no hydrogen 3.022 N/A ARG 234.A NH2 ASP 202.A OD1 no hydrogen 3.425 N/A GLY 236.A N GLY 233.A O no hydrogen 3.125 N/A SER 237.A N ASP 235.A OD2 no hydrogen 3.042 N/A SER 237.A OG ASP 235.A OD2 no hydrogen 3.146 N/A LYS 240.A NZ GLU 238.A O no hydrogen 3.009 N/A GLN 242.A N ALA 249.A O no hydrogen 2.753 N/A ARG 243.A NE ARG 243.A O no hydrogen 2.570 N/A ARG 243.A NH2 ARG 243.A O no hydrogen 3.465 N/A MET 244.A N ARG 247.A O no hydrogen 2.867 N/A ARG 247.A N MET 244.A O no hydrogen 2.685 N/A ALA 249.A N GLN 242.A O no hydrogen 2.770 N/A VAL 250.A N ASP 212.A OD1 no hydrogen 2.752 N/A GLU 251.A N LYS 240.A O no hydrogen 2.952 N/A LYS 253.A NZ ASP 6.A OD2 no hydrogen 3.147 N/A LYS 253.A NZ GLU 251.A OE1 no hydrogen 3.483 N/A ARG 255.A N VAL 252.A O no hydrogen 2.718 N/A ARG 255.A NE LEU 232.A O no hydrogen 2.859 N/A ARG 255.A NH1 ASP 202.A OD1 no hydrogen 2.998 N/A ARG 255.A NH1 PRO 203.A O no hydrogen 2.759 N/A ARG 255.A NH2 ASP 202.A OD1 no hydrogen 3.394 N/A ARG 255.A NH2 LEU 232.A O no hydrogen 3.231 N/A HIS 257.A ND1 VAL 250.A O no hydrogen 2.727 N/A HIS 257.A NE2 THR 208.A OG1 no hydrogen 2.764 N/A PHE 258.A N LEU 206.A O no hydrogen 2.766 N/A LEU 260.A N THR 208.A O no hydrogen 2.968 N/A TYR 261.A N ASP 259.A OD2 no hydrogen 2.899 N/A ILE 264.A N LEU 260.A O no hydrogen 2.590 N/A ARG 265.A N TYR 261.A O no hydrogen 2.985 N/A ARG 265.A NH2 TYR 261.A OH no hydrogen 2.525 N/A ARG 266.A N PRO 262.A O no hydrogen 3.184 N/A ARG 266.A N VAL 263.A O no hydrogen 2.843 N/A THR 267.A N ILE 264.A O no hydrogen 3.166 N/A THR 267.A OG1 VAL 263.A O no hydrogen 2.526 N/A ILE 268.A N ILE 264.A O no hydrogen 3.018 N/A LEU 270.A N TYR 273.A OH no hydrogen 3.086 N/A TYR 273.A OH ILE 268.A O no hydrogen 2.620 N/A ALA 277.A N THR 274.A OG1 no hydrogen 3.103 N/A VAL 278.A N THR 274.A O no hydrogen 2.845 N/A TYR 279.A N LEU 275.A O no hydrogen 2.848 N/A TYR 279.A OH GLU 321.A OE1 no hydrogen 3.144 N/A GLU 280.A N GLU 276.A O no hydrogen 3.429 N/A ALA 281.A N ALA 277.A O no hydrogen 3.002 N/A VAL 282.A N VAL 278.A O no hydrogen 2.879 N/A VAL 282.A N TYR 279.A O no hydrogen 2.905 N/A PHE 283.A N TYR 279.A O no hydrogen 2.794 N/A GLY 284.A N GLU 280.A O no hydrogen 2.473 N/A LYS 287.A NZ GLU 276.A OE2 no hydrogen 2.647 N/A LYS 287.A NZ GLU 288.A O no hydrogen 2.909 N/A LYS 287.A NZ ASP 315.A OD1 no hydrogen 2.858 N/A LYS 289.A NZ TYR 311.A OH no hydrogen 3.559 N/A GLU 294.A N TYR 291.A O no hydrogen 2.847 N/A ILE 295.A N TYR 291.A O no hydrogen 3.047 N/A THR 296.A N ALA 292.A O no hydrogen 2.955 N/A THR 296.A OG1 TYR 146.A O no hydrogen 3.326 N/A THR 296.A OG1 ALA 292.A O no hydrogen 3.084 N/A THR 297.A N GLU 293.A O no hydrogen 3.427 N/A THR 297.A OG1 GLU 293.A O no hydrogen 3.446 N/A THR 297.A OG1 GLU 294.A O no hydrogen 3.254 N/A ALA 298.A N GLU 294.A O no hydrogen 2.918 N/A TRP 299.A N THR 296.A O no hydrogen 2.673 N/A GLU 300.A N THR 296.A O no hydrogen 2.809 N/A THR 301.A N THR 297.A O no hydrogen 3.080 N/A THR 301.A OG1 THR 297.A O no hydrogen 2.700 N/A GLU 303.A N THR 301.A OG1 no hydrogen 2.987 N/A ARG 307.A N ASN 304.A O no hydrogen 3.416 N/A ARG 307.A NE GLU 294.A OE2 no hydrogen 2.744 N/A ARG 307.A NH2 GLU 294.A OE1 no hydrogen 3.433 N/A ARG 307.A NH2 GLU 294.A OE2 no hydrogen 2.563 N/A ALA 309.A N LEU 305.A O no hydrogen 3.190 N/A ARG 310.A N GLU 306.A O no hydrogen 3.205 N/A TYR 311.A N ARG 307.A O no hydrogen 2.709 N/A SER 312.A N VAL 308.A O no hydrogen 3.185 N/A SER 312.A OG SER 161.A OG no hydrogen 2.648 N/A MET 313.A N ALA 309.A O no hydrogen 2.623 N/A GLU 314.A N ARG 310.A O no hydrogen 2.929 N/A ASP 315.A N TYR 311.A O no hydrogen 2.823 N/A ALA 316.A N SER 312.A O no hydrogen 3.168 N/A LYS 317.A N MET 313.A O no hydrogen 3.199 N/A LYS 317.A NZ GLU 321.A OE2 no hydrogen 2.862 N/A VAL 318.A N GLU 314.A O no hydrogen 2.617 N/A THR 319.A N ASP 315.A O no hydrogen 3.067 N/A THR 319.A OG1 ASP 315.A O no hydrogen 2.851 N/A TYR 320.A N ALA 316.A O no hydrogen 2.830 N/A TYR 320.A OH GLU 165.A OE1 no hydrogen 2.838 N/A GLU 321.A N LYS 317.A O no hydrogen 2.809 N/A LEU 322.A N VAL 318.A O no hydrogen 2.690 N/A GLY 323.A N THR 319.A O no hydrogen 2.716 N/A LYS 324.A N TYR 320.A O no hydrogen 2.893 N/A LYS 324.A N GLU 321.A O no hydrogen 2.987 N/A LYS 324.A NZ GLU 165.A OE1 no hydrogen 3.008 N/A LYS 324.A NZ TYR 320.A OH no hydrogen 3.242 N/A GLU 325.A N GLU 321.A O no hydrogen 3.234 N/A GLU 325.A N LEU 322.A O no hydrogen 2.817 N/A PHE 326.A N LEU 322.A O no hydrogen 3.230 N/A LEU 327.A N GLY 323.A O no hydrogen 3.021 N/A GLU 330.A N PHE 326.A O no hydrogen 3.318 N/A ALA 331.A N LEU 327.A O no hydrogen 2.895 N/A GLN 332.A N PRO 328.A O no hydrogen 3.213 N/A LEU 333.A N MET 329.A O no hydrogen 3.064 N/A SER 334.A N GLU 330.A O no hydrogen 2.798 N/A SER 334.A OG GLU 330.A O no hydrogen 2.769 N/A ARG 335.A N ALA 331.A O no hydrogen 2.753 N/A LEU 336.A N GLN 332.A O no hydrogen 2.706 N/A ILE 337.A N LEU 333.A O no hydrogen 2.865 N/A GLY 338.A N SER 334.A O no hydrogen 2.894 N/A GLN 339.A N SER 334.A O no hydrogen 3.268 N/A SER 340.A OG ASP 4.A OD1 no hydrogen 3.341 N/A TRP 342.A NE1 VAL 250.A O no hydrogen 3.077 N/A ASP 343.A N SER 340.A OG no hydrogen 3.319 N/A VAL 344.A N SER 340.A O no hydrogen 2.837 N/A SER 345.A N LEU 341.A O no hydrogen 2.712 N/A SER 345.A OG LEU 341.A O no hydrogen 3.172 N/A SER 345.A OG TRP 342.A O no hydrogen 3.210 N/A ARG 346.A N ASP 343.A O no hydrogen 2.739 N/A ARG 346.A NE ASP 212.A OD2 no hydrogen 2.964 N/A ARG 346.A NH1 HIS 257.A O no hydrogen 3.027 N/A ARG 346.A NH1 TRP 342.A O no hydrogen 2.934 N/A ARG 346.A NH2 ASP 212.A OD1 no hydrogen 3.124 N/A ARG 346.A NH2 ASP 212.A OD2 no hydrogen 3.244 N/A ARG 346.A NH2 HIS 257.A O no hydrogen 2.996 N/A SER 347.A N VAL 344.A O no hydrogen 2.985 N/A SER 347.A OG ASP 343.A O no hydrogen 3.068 N/A LEU 352.A N SER 348.A O no hydrogen 2.820 N/A VAL 353.A N THR 349.A O no hydrogen 2.956 N/A GLU 354.A N GLY 350.A O no hydrogen 2.747 N/A TRP 355.A N ASN 351.A O no hydrogen 2.892 N/A TRP 355.A N LEU 352.A O no hydrogen 2.924 N/A PHE 356.A N LEU 352.A O no hydrogen 2.929 N/A LEU 357.A N VAL 353.A O no hydrogen 3.089 N/A LEU 358.A N GLU 354.A O no hydrogen 3.393 N/A ARG 359.A N TRP 355.A O no hydrogen 3.321 N/A ARG 359.A N PHE 356.A O no hydrogen 3.215 N/A ARG 359.A NH2 GLY 338.A O no hydrogen 2.825 N/A LYS 360.A N PHE 356.A O no hydrogen 3.196 N/A LYS 360.A NZ GLU 363.A OE1 no hydrogen 3.504 N/A LYS 360.A NZ GLU 363.A OE2 no hydrogen 3.140 N/A ALA 361.A N LEU 357.A O no hydrogen 2.785 N/A TYR 362.A N LEU 358.A O no hydrogen 3.325 N/A GLU 363.A N ARG 359.A O no hydrogen 3.138 N/A ARG 364.A N ALA 361.A O no hydrogen 2.827 N/A ASN 365.A N TYR 362.A O no hydrogen 2.805 N/A ASN 365.A ND2 GLN 72.A O no hydrogen 2.671 N/A GLU 366.A N ALA 361.A O no hydrogen 2.841 N/A LEU 367.A N LYS 74.A O no hydrogen 2.771 N/A ALA 368.A N GLU 111.A OE2 no hydrogen 3.019 N/A ASN 370.A ND2 ILE 109.A O no hydrogen 2.560 N/A GLU 376.A N ASP 373.A OD1 no hydrogen 3.171 N/A LEU 377.A N ASP 373.A O no hydrogen 2.807 N/A ALA 378.A N GLU 374.A O no hydrogen 2.685 N/A ARG 379.A N GLU 376.A O no hydrogen 2.762 N/A ARG 379.A NH2 GLU 376.A OE2 no hydrogen 3.449 N/A ARG 380.A N GLU 376.A O no hydrogen 2.972 N/A ARG 380.A NH1 ALA 500.A O no hydrogen 3.213 N/A ARG 380.A NH1 ALA 502.A O no hydrogen 3.404 N/A GLN 382.A N ARG 379.A O no hydrogen 2.762 N/A GLN 382.A NE2 ALA 378.A O no hydrogen 3.368 N/A SER 383.A OG ARG 380.A O no hydrogen 2.569 N/A GLU 393.A N ILE 537.A O no hydrogen 2.753 N/A TRP 397.A N GLY 586.A O no hydrogen 3.075 N/A ASN 399.A N LYS 584.A O no hydrogen 2.906 N/A ILE 400.A N TYR 583.A O no hydrogen 2.821 N/A VAL 401.A N ALA 546.A O no hydrogen 3.009 N/A TYR 402.A N GLY 581.A O no hydrogen 3.490 N/A TYR 402.A OH ASP 540.A OD1 no hydrogen 3.244 N/A TYR 402.A OH ASP 540.A OD2 no hydrogen 3.283 N/A LEU 403.A N PHE 544.A O no hydrogen 3.042 N/A PHE 405.A N ASP 542.A O no hydrogen 2.791 N/A ARG 406.A N GLU 576.A O no hydrogen 2.732 N/A SER 411.A N SER 407.A O no hydrogen 2.697 N/A SER 411.A OG LEU 408.A O no hydrogen 2.612 N/A ILE 412.A N LEU 408.A O no hydrogen 2.806 N/A ILE 413.A N TYR 409.A O no hydrogen 2.938 N/A ILE 414.A N PRO 410.A O no hydrogen 3.007 N/A THR 415.A N SER 411.A O no hydrogen 3.011 N/A THR 415.A OG1 SER 411.A O no hydrogen 2.708 N/A HIS 416.A N ILE 412.A O no hydrogen 3.100 N/A ASN 417.A N ILE 414.A O no hydrogen 3.243 N/A VAL 418.A N ILE 413.A O no hydrogen 3.004 N/A SER 419.A OG ASP 421.A OD1 no hydrogen 2.764 N/A THR 422.A N SER 419.A O no hydrogen 2.724 N/A THR 422.A OG1 ASN 417.A O no hydrogen 2.910 N/A THR 422.A OG1 SER 419.A O no hydrogen 3.134 N/A LEU 423.A N SER 419.A O no hydrogen 2.924 N/A ASN 424.A N ARG 440.A O no hydrogen 2.741 N/A ARG 425.A N THR 422.A O no hydrogen 3.366 N/A ARG 425.A NH1 LEU 76.A O no hydrogen 3.120 N/A ARG 425.A NH2 LEU 76.A O no hydrogen 3.050 N/A GLU 426.A N GLU 426.A OE2 no hydrogen 2.614 N/A CYS 428.A N TYR 431.A OH no hydrogen 2.887 N/A CYS 428.A SG ARG 425.A O no hydrogen 3.526 N/A LYS 429.A N ASP 444.A OD1 no hydrogen 3.018 N/A LYS 429.A N ASP 444.A OD2 no hydrogen 3.151 N/A TYR 431.A OH ARG 425.A O no hydrogen 2.647 N/A TYR 431.A OH CYS 428.A O no hydrogen 3.260 N/A ASP 432.A N PHE 441.A O no hydrogen 3.232 N/A ALA 434.A N HIS 439.A O no hydrogen 3.396 N/A VAL 437.A N PRO 435.A O no hydrogen 2.353 N/A GLY 438.A N ALA 434.A O no hydrogen 2.628 N/A HIS 439.A NE2 GLU 511.A OE1 no hydrogen 2.771 N/A PHE 441.A N ASP 432.A O no hydrogen 3.112 N/A CYS 442.A N THR 422.A O no hydrogen 2.985 N/A LYS 443.A N GLU 430.A O no hydrogen 3.049 N/A LYS 443.A NZ ASP 432.A OD1 no hydrogen 2.765 N/A PHE 448.A N ASP 421.A OD2 no hydrogen 2.752 N/A ILE 449.A N SER 419.A OG no hydrogen 3.288 N/A SER 451.A N GLY 447.A O no hydrogen 2.708 N/A LEU 452.A N PHE 448.A O no hydrogen 3.086 N/A LEU 453.A N ILE 449.A O no hydrogen 2.718 N/A GLY 454.A N PRO 450.A O no hydrogen 2.833 N/A ASP 455.A N SER 451.A O no hydrogen 3.289 N/A LEU 456.A N LEU 452.A O no hydrogen 2.873 N/A LEU 457.A N LEU 453.A O no hydrogen 3.091 N/A GLU 458.A N GLY 454.A O no hydrogen 2.644 N/A GLU 459.A N ASP 455.A O no hydrogen 2.884 N/A ARG 460.A N LEU 456.A O no hydrogen 2.904 N/A ARG 460.A NH2 GLN 483.A OE1 no hydrogen 2.922 N/A GLN 461.A N LEU 457.A O no hydrogen 3.048 N/A ILE 463.A N GLU 459.A O no hydrogen 2.846 N/A LYS 464.A N ARG 460.A O no hydrogen 3.304 N/A LYS 465.A N GLN 461.A O no hydrogen 3.137 N/A LYS 466.A N LYS 462.A O no hydrogen 3.432 N/A MET 467.A N ILE 463.A O no hydrogen 3.326 N/A LYS 468.A N LYS 465.A O no hydrogen 3.209 N/A ALA 469.A N LYS 465.A O no hydrogen 3.400 N/A THR 470.A OG1 LYS 466.A O no hydrogen 2.939 N/A THR 470.A OG1 MET 467.A O no hydrogen 3.185 N/A ILE 474.A N ASP 472.A OD2 no hydrogen 3.190 N/A ARG 476.A N ASP 472.A O no hydrogen 3.041 N/A ARG 476.A NE MET 467.A O no hydrogen 2.809 N/A ARG 476.A NE THR 470.A O no hydrogen 3.066 N/A LYS 477.A N PRO 473.A O no hydrogen 3.288 N/A LEU 478.A N ILE 474.A O no hydrogen 2.836 N/A LEU 479.A N GLU 475.A O no hydrogen 2.974 N/A ASP 480.A N ARG 476.A O no hydrogen 2.720 N/A TYR 481.A N LYS 477.A O no hydrogen 2.859 N/A ARG 482.A N LEU 478.A O no hydrogen 3.015 N/A GLN 483.A N LEU 479.A O no hydrogen 3.070 N/A GLN 483.A NE2 ASP 480.A O no hydrogen 2.584 N/A ARG 484.A N ASP 480.A O no hydrogen 3.111 N/A ALA 485.A N TYR 481.A O no hydrogen 3.066 N/A ILE 486.A N ARG 482.A O no hydrogen 3.045 N/A LYS 487.A N GLN 483.A O no hydrogen 3.005 N/A ILE 488.A N ARG 484.A O no hydrogen 2.999 N/A LEU 489.A N ALA 485.A O no hydrogen 2.951 N/A ALA 490.A N ILE 486.A O no hydrogen 3.012 N/A ASN 491.A N LYS 487.A O no hydrogen 2.781 N/A SER 492.A N LEU 489.A O no hydrogen 3.028 N/A SER 492.A OG ILE 488.A O no hydrogen 2.854 N/A TYR 493.A N ALA 490.A O no hydrogen 3.273 N/A TYR 494.A OH THR 514.A OG1 no hydrogen 2.627 N/A TYR 496.A N SER 492.A O no hydrogen 2.960 N/A TYR 496.A OH GLU 354.A OE2 no hydrogen 2.365 N/A TYR 497.A N TYR 493.A O no hydrogen 3.060 N/A TYR 497.A N TYR 494.A O no hydrogen 2.894 N/A TYR 497.A OH VAL 418.A O no hydrogen 2.712 N/A GLY 498.A N GLY 495.A O no hydrogen 2.905 N/A TYR 499.A N TYR 496.A O no hydrogen 2.983 N/A ALA 502.A N TYR 499.A O no hydrogen 2.896 N/A ARG 503.A N GLU 354.A OE2 no hydrogen 3.213 N/A ARG 503.A NH1 ASP 113.A OD1 no hydrogen 3.557 N/A ARG 503.A NH1 PRO 369.A O no hydrogen 3.160 N/A ARG 503.A NH2 ASP 113.A OD1 no hydrogen 3.470 N/A ARG 503.A NH2 ASP 113.A OD2 no hydrogen 3.364 N/A TRP 504.A N TYR 496.A OH no hydrogen 3.111 N/A CYS 506.A N TYR 497.A O no hydrogen 2.945 N/A GLU 508.A N GLU 508.A OE2 no hydrogen 2.883 N/A ALA 510.A N CYS 506.A O no hydrogen 2.996 N/A GLU 511.A N LYS 507.A O no hydrogen 2.792 N/A SER 512.A N GLU 508.A O no hydrogen 2.991 N/A SER 512.A OG GLU 508.A O no hydrogen 2.528 N/A VAL 513.A N CYS 509.A O no hydrogen 2.847 N/A THR 514.A N ALA 510.A O no hydrogen 3.001 N/A THR 514.A OG1 TYR 494.A OH no hydrogen 2.627 N/A THR 514.A OG1 ALA 510.A O no hydrogen 3.263 N/A ALA 515.A N GLU 511.A O no hydrogen 2.848 N/A TRP 516.A N SER 512.A O no hydrogen 2.925 N/A GLY 517.A N VAL 513.A O no hydrogen 3.117 N/A ARG 518.A N THR 514.A O no hydrogen 3.055 N/A GLU 519.A N ALA 515.A O no hydrogen 2.816 N/A TYR 520.A N TRP 516.A O no hydrogen 2.674 N/A TYR 520.A OH HIS 416.A NE2 no hydrogen 2.888 N/A ILE 521.A N GLY 517.A O no hydrogen 2.773 N/A THR 522.A N ARG 518.A O no hydrogen 2.838 N/A THR 522.A OG1 ARG 518.A O no hydrogen 3.003 N/A MET 523.A N GLU 519.A O no hydrogen 2.680 N/A THR 524.A N TYR 520.A O no hydrogen 2.834 N/A ILE 525.A N ILE 521.A O no hydrogen 2.763 N/A LYS 526.A N THR 522.A O no hydrogen 2.909 N/A LYS 526.A NZ GLU 530.A OE2 no hydrogen 2.758 N/A GLU 527.A N MET 523.A O no hydrogen 3.425 N/A ILE 528.A N THR 524.A O no hydrogen 3.009 N/A GLU 530.A N LYS 526.A O no hydrogen 3.073 N/A LYS 535.A NZ GLU 393.A OE2 no hydrogen 2.723 N/A VAL 536.A N GLU 529.A OE2 no hydrogen 3.075 N/A ILE 537.A N PHE 545.A O no hydrogen 2.660 N/A ASP 540.A N GLY 543.A O no hydrogen 3.026 N/A THR 541.A OG1 TYR 409.A OH no hydrogen 3.292 N/A GLY 543.A N ASP 540.A O no hydrogen 2.925 N/A PHE 544.A N LEU 403.A O no hydrogen 3.128 N/A PHE 545.A N TYR 538.A O no hydrogen 2.819 N/A ALA 546.A N VAL 401.A O no hydrogen 2.760 N/A THR 547.A OG1 GLU 398.A O no hydrogen 3.148 N/A THR 547.A OG1 ASN 399.A O no hydrogen 2.471 N/A VAL 556.A N ASP 552.A O no hydrogen 2.909 N/A LYS 557.A NZ GLU 599.A OE1 no hydrogen 2.838 N/A LYS 557.A NZ GLU 599.A OE2 no hydrogen 3.018 N/A LYS 558.A N GLU 554.A O no hydrogen 3.085 N/A LYS 559.A N THR 555.A O no hydrogen 2.857 N/A ALA 560.A N LYS 557.A O no hydrogen 2.789 N/A LYS 565.A N MET 561.A O no hydrogen 3.390 N/A TYR 566.A N GLU 562.A O no hydrogen 3.087 N/A TYR 566.A OH GLU 527.A OE2 no hydrogen 2.816 N/A ILE 567.A N PHE 563.A O no hydrogen 3.034 N/A ASN 568.A N LEU 564.A O no hydrogen 2.790 N/A ASN 568.A ND2 LEU 564.A O no hydrogen 2.760 N/A ASN 568.A ND2 LEU 577.A O no hydrogen 3.206 N/A ALA 569.A N LYS 565.A O no hydrogen 3.153 N/A ALA 569.A N TYR 566.A O no hydrogen 3.195 N/A LYS 570.A N TYR 566.A O no hydrogen 3.051 N/A LEU 577.A N ASN 568.A OD1 no hydrogen 2.987 N/A GLU 578.A N ASP 404.A O no hydrogen 2.983 N/A GLU 580.A N TYR 402.A O no hydrogen 2.918 N/A TYR 583.A N ILE 400.A O no hydrogen 2.804 N/A TYR 583.A OH GLU 580.A OE2 no hydrogen 2.866 N/A LYS 584.A N ILE 597.A O no hydrogen 2.897 N/A ARG 585.A NE GLU 398.A OE1 no hydrogen 3.159 N/A ARG 585.A NH1 LEU 631.A O no hydrogen 2.904 N/A ARG 585.A NH1 LYS 632.A O no hydrogen 2.648 N/A ARG 585.A NH2 GLU 398.A OE1 no hydrogen 2.803 N/A VAL 589.A N LYS 593.A O no hydrogen 3.014 N/A LYS 592.A N TYR 538.A OH no hydrogen 3.058 N/A LYS 593.A N THR 590.A O no hydrogen 2.964 N/A TYR 594.A N GLY 607.A O no hydrogen 3.247 N/A ILE 597.A N ARG 585.A O no hydrogen 2.890 N/A GLU 600.A N ASP 598.A OD1 no hydrogen 2.630 N/A ILE 618.A N TRP 615.A O no hydrogen 3.244 N/A THR 622.A OG1 ALA 619.A O no hydrogen 2.648 N/A ALA 624.A N LYS 620.A O no hydrogen 3.305 N/A ARG 625.A N GLU 621.A O no hydrogen 3.018 N/A VAL 626.A N THR 622.A O no hydrogen 2.983 N/A LEU 627.A N GLN 623.A O no hydrogen 3.119 N/A GLU 628.A N ALA 624.A O no hydrogen 2.991 N/A ALA 629.A N ARG 625.A O no hydrogen 2.757 N/A LEU 630.A N VAL 626.A O no hydrogen 2.736 N/A LEU 630.A N LEU 627.A O no hydrogen 2.802 N/A LEU 631.A N LEU 627.A O no hydrogen 2.630 N/A ASP 633.A N GLU 628.A O no hydrogen 2.781 N/A ASP 635.A N ALA 629.A O no hydrogen 3.249 N/A LYS 638.A N ASP 635.A OD1 no hydrogen 2.724 N/A ALA 639.A N VAL 636.A O no hydrogen 2.766 N/A ARG 641.A N GLU 637.A O no hydrogen 2.667 N/A ILE 642.A N LYS 638.A O no hydrogen 3.122 N/A LYS 644.A N VAL 640.A O no hydrogen 2.960 N/A GLU 645.A N ILE 642.A O no hydrogen 2.925 N/A VAL 646.A N VAL 643.A O no hydrogen 2.762 N/A THR 647.A N VAL 643.A O no hydrogen 2.664 N/A THR 647.A OG1 VAL 643.A O no hydrogen 2.929 N/A THR 647.A OG1 LEU 726.A O no hydrogen 3.040 N/A LYS 649.A N VAL 646.A O no hydrogen 3.157 N/A LEU 650.A N VAL 646.A O no hydrogen 2.849 N/A SER 651.A OG THR 647.A O no hydrogen 2.912 N/A TYR 653.A N LEU 650.A O no hydrogen 3.254 N/A GLU 654.A N LYS 649.A O no hydrogen 2.733 N/A VAL 661.A N GLU 658.A O no hydrogen 3.336 N/A ILE 662.A N TYR 682.A O no hydrogen 2.939 N/A ARG 674.A N VAL 671.A O no hydrogen 3.470 N/A ILE 683.A N ALA 687.A O no hydrogen 3.428 N/A ARG 686.A N ILE 683.A O no hydrogen 3.225 N/A GLU 707.A N GLU 703.A O no hydrogen 3.445 N/A GLN 709.A N TYR 705.A O no hydrogen 2.935 N/A VAL 710.A N TYR 705.A O no hydrogen 2.856 N/A ALA 713.A N VAL 710.A O no hydrogen 3.155 N/A VAL 714.A N VAL 710.A O no hydrogen 3.075 N/A GLU 715.A N LEU 711.A O no hydrogen 2.751 N/A LEU 718.A N VAL 714.A O no hydrogen 2.951 N/A ARG 719.A NH2 TYR 721.A O no hydrogen 3.033 N/A ASP 725.A N ARG 722.A O no hydrogen 2.549 N/A LEU 726.A N LYS 723.A O no hydrogen 2.735 N/A ARG 727.A N LYS 723.A O no hydrogen 2.822 N/A