Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1r1i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A N LEU 620.A O no hydrogen 2.630 N/A CYS 8.A N SER 5.A OG no hydrogen 2.587 N/A ILE 9.A N SER 5.A O no hydrogen 2.146 N/A LYS 10.A N SER 6.A O no hydrogen 2.581 N/A SER 11.A N CYS 8.A O no hydrogen 2.943 N/A SER 11.A OG CYS 8.A O no hydrogen 2.971 N/A ALA 12.A N CYS 8.A O no hydrogen 3.279 N/A ARG 14.A N LYS 10.A O no hydrogen 3.317 N/A LEU 15.A N SER 11.A O no hydrogen 2.885 N/A ILE 16.A N ALA 12.A O no hydrogen 3.065 N/A ASN 18.A N ARG 14.A O no hydrogen 3.307 N/A ASN 18.A N LEU 15.A O no hydrogen 3.245 N/A MET 19.A N LEU 15.A O no hydrogen 3.019 N/A ASP 20.A N TYR 32.A O no hydrogen 2.980 N/A THR 22.A N ASP 20.A OD1 no hydrogen 3.204 N/A THR 22.A OG1 ASP 20.A OD2 no hydrogen 3.157 N/A CYS 26.A N GLU 24.A OE1 no hydrogen 2.884 N/A CYS 26.A SG GLU 24.A OE1 no hydrogen 3.110 N/A CYS 26.A SG PHE 679.A O no hydrogen 3.132 N/A THR 27.A N GLU 24.A O no hydrogen 2.757 N/A ASP 28.A N GLU 24.A O no hydrogen 3.290 N/A LYS 31.A N ASP 28.A OD1 no hydrogen 2.897 N/A TYR 32.A N ASP 28.A O no hydrogen 2.944 N/A ALA 33.A N PHE 29.A O no hydrogen 2.751 N/A CYS 34.A N LYS 31.A O no hydrogen 3.402 N/A GLY 35.A N LYS 31.A O no hydrogen 2.848 N/A GLY 36.A N ASN 18.A O no hydrogen 3.140 N/A TRP 37.A N ASN 18.A O no hydrogen 3.273 N/A TRP 37.A N CYS 34.A O no hydrogen 2.933 N/A LEU 38.A N CYS 34.A O no hydrogen 3.020 N/A LYS 39.A N GLY 35.A O no hydrogen 3.315 N/A ASN 41.A N LEU 38.A O no hydrogen 3.253 N/A ASN 41.A ND2 TRP 37.A O no hydrogen 2.781 N/A SER 47.A N PRO 44.A O no hydrogen 3.133 N/A ARG 49.A NE ASP 54.A OD2 no hydrogen 2.819 N/A ARG 49.A NH1 TYR 644.A OH no hydrogen 3.120 N/A TYR 50.A N THR 643.A O no hydrogen 3.361 N/A ASN 52.A N CYS 641.A O no hydrogen 3.165 N/A ILE 55.A N GLY 51.A O no hydrogen 2.725 N/A LEU 56.A N ASN 52.A O no hydrogen 2.900 N/A ARG 57.A N PHE 53.A O no hydrogen 3.331 N/A ASP 58.A N ASP 54.A O no hydrogen 2.819 N/A GLU 59.A N ILE 55.A O no hydrogen 3.036 N/A LEU 60.A N LEU 56.A O no hydrogen 2.984 N/A GLU 61.A N ARG 57.A O no hydrogen 3.292 N/A GLU 61.A N ASP 58.A O no hydrogen 3.273 N/A LEU 64.A N LEU 60.A O no hydrogen 3.102 N/A LYS 65.A N GLU 61.A O no hydrogen 2.796 N/A ASP 66.A N VAL 62.A O no hydrogen 2.560 N/A VAL 67.A N LEU 64.A O no hydrogen 3.278 N/A LEU 68.A N LEU 64.A O no hydrogen 2.686 N/A GLN 69.A N LYS 65.A O no hydrogen 3.407 N/A ASP 75.A N LYS 72.A O no hydrogen 2.766 N/A GLN 80.A N ILE 76.A O no hydrogen 3.338 N/A GLN 80.A N VAL 77.A O no hydrogen 3.113 N/A LYS 81.A N VAL 77.A O no hydrogen 3.307 N/A LYS 81.A N ALA 78.A O no hydrogen 3.324 N/A LYS 81.A NZ TYR 443.A O no hydrogen 3.237 N/A LYS 81.A NZ LEU 446.A O no hydrogen 2.271 N/A LYS 83.A N VAL 79.A O no hydrogen 3.237 N/A LYS 83.A NZ GLU 70.A O no hydrogen 2.985 N/A LYS 83.A NZ ASP 75.A OD2 no hydrogen 2.509 N/A ALA 84.A N GLN 80.A O no hydrogen 2.971 N/A LEU 85.A N LYS 81.A O no hydrogen 2.686 N/A TYR 86.A N ALA 82.A O no hydrogen 2.531 N/A ARG 87.A N LYS 83.A O no hydrogen 2.679 N/A ARG 87.A NE GLU 450.A OE2 no hydrogen 2.664 N/A ARG 87.A NH2 GLU 450.A OE1 no hydrogen 2.167 N/A SER 88.A N ALA 84.A O no hydrogen 2.753 N/A SER 88.A OG LEU 85.A O no hydrogen 2.704 N/A SER 88.A OG ASN 456.A OD1 no hydrogen 3.455 N/A CYS 89.A N TYR 86.A O no hydrogen 2.778 N/A ILE 90.A N TYR 86.A O no hydrogen 3.044 N/A GLU 92.A N ILE 90.A O no hydrogen 3.087 N/A ALA 94.A N ASN 91.A OD1 no hydrogen 3.205 N/A ILE 95.A N ASN 91.A O no hydrogen 2.962 N/A ASP 96.A N GLU 92.A O no hydrogen 2.480 N/A SER 97.A N SER 93.A O no hydrogen 2.666 N/A SER 97.A OG SER 93.A O no hydrogen 3.392 N/A ARG 98.A N ILE 95.A O no hydrogen 3.239 N/A GLY 99.A N ASP 96.A O no hydrogen 2.654 N/A GLY 100.A N GLU 205.A OE2 no hydrogen 2.632 N/A GLU 101.A N ARG 98.A O no hydrogen 2.969 N/A LEU 103.A N GLY 100.A O no hydrogen 3.280 N/A LYS 105.A N GLU 101.A O no hydrogen 2.955 N/A LEU 106.A N LEU 103.A O no hydrogen 2.007 N/A LEU 107.A N LEU 103.A O no hydrogen 2.405 N/A ASP 109.A N LEU 106.A O no hydrogen 2.342 N/A ILE 110.A N LEU 107.A O no hydrogen 2.933 N/A GLY 112.A N LEU 107.A O no hydrogen 2.557 N/A TRP 113.A NE1 ASN 315.A O no hydrogen 3.055 N/A ALA 116.A N TRP 113.A O no hydrogen 2.691 N/A THR 117.A N PRO 114.A O no hydrogen 2.586 N/A TRP 120.A NE1 TYR 111.A O no hydrogen 2.985 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 2.430 N/A GLN 122.A N ASN 119.A O no hydrogen 3.107 N/A LYS 123.A N ASN 119.A O no hydrogen 3.405 N/A LYS 123.A N TRP 120.A O no hydrogen 2.711 N/A TYR 124.A N TRP 120.A O no hydrogen 3.307 N/A SER 127.A OG TYR 124.A O no hydrogen 2.931 N/A TRP 128.A N TYR 124.A O no hydrogen 2.718 N/A TRP 128.A NE1 GLN 314.A OE1 no hydrogen 2.990 N/A THR 129.A OG1 GLU 131.A OE1 no hydrogen 3.015 N/A GLU 131.A N THR 129.A OG1 no hydrogen 2.794 N/A ALA 133.A N THR 129.A O no hydrogen 2.540 N/A ILE 134.A N ALA 130.A O no hydrogen 2.795 N/A GLN 136.A N LYS 132.A O no hydrogen 2.331 N/A GLN 136.A N ALA 133.A O no hydrogen 2.877 N/A LEU 137.A N ALA 133.A O no hydrogen 3.234 N/A ASN 138.A N ILE 134.A O no hydrogen 3.099 N/A ASN 138.A ND2 LEU 149.A O no hydrogen 2.792 N/A SER 139.A N ALA 135.A O no hydrogen 2.914 N/A SER 139.A OG THR 279.A OG1 no hydrogen 2.532 N/A LYS 140.A N GLN 136.A O no hydrogen 2.905 N/A TYR 141.A N LEU 137.A O no hydrogen 3.259 N/A TYR 141.A OH ASP 109.A OD1 no hydrogen 2.768 N/A LYS 143.A NZ ARG 320.A O no hydrogen 2.380 N/A LYS 143.A NZ ASP 324.A OD1 no hydrogen 2.188 N/A LYS 144.A NZ ASN 148.A OD1 no hydrogen 3.197 N/A ILE 147.A N VAL 145.A O no hydrogen 2.718 N/A ASN 148.A N ASP 166.A O no hydrogen 3.006 N/A PHE 150.A N HIS 164.A O no hydrogen 2.855 N/A GLY 152.A N VAL 162.A O no hydrogen 2.889 N/A ASP 154.A N ASN 160.A O no hydrogen 2.666 N/A LYS 156.A N ASP 154.A OD2 no hydrogen 2.651 N/A LYS 156.A NZ LEU 549.A O no hydrogen 3.450 N/A ASN 157.A N ASP 154.A O no hydrogen 3.190 N/A SER 158.A N ASP 548.A OD1 no hydrogen 2.950 N/A SER 158.A OG GLY 495.A O no hydrogen 3.301 N/A SER 158.A OG ASP 546.A O no hydrogen 2.542 N/A ASN 160.A N ASN 157.A O no hydrogen 2.728 N/A VAL 162.A N GLY 152.A O no hydrogen 2.918 N/A HIS 164.A N PHE 150.A O no hydrogen 3.018 N/A ILE 165.A N VAL 291.A O no hydrogen 3.108 N/A ASP 166.A N ASN 148.A O no hydrogen 2.651 N/A GLN 167.A N ASP 166.A OD1 no hydrogen 3.091 N/A GLN 167.A NE2 ALA 234.A O no hydrogen 3.486 N/A GLY 171.A N GLU 226.A OE1 no hydrogen 3.384 N/A GLY 171.A N GLU 226.A OE2 no hydrogen 2.848 N/A LEU 172.A N TYR 178.A OH no hydrogen 2.589 N/A SER 174.A OG ASP 176.A OD1 no hydrogen 3.135 N/A ARG 175.A NE THR 233.A OG1 no hydrogen 2.795 N/A ARG 175.A NH2 ASN 231.A O no hydrogen 2.761 N/A ARG 175.A NH2 THR 233.A OG1 no hydrogen 3.238 N/A TYR 177.A N SER 174.A O no hydrogen 3.103 N/A TYR 178.A N ARG 175.A O no hydrogen 3.173 N/A TYR 178.A OH GLU 226.A OE1 no hydrogen 2.247 N/A GLU 179.A N ASP 176.A O no hydrogen 3.030 N/A CYS 180.A SG TYR 177.A O no hydrogen 3.512 N/A TYR 184.A N THR 181.A O no hydrogen 3.500 N/A LYS 185.A N GLY 182.A O no hydrogen 2.654 N/A CYS 188.A N TYR 184.A O no hydrogen 3.126 N/A CYS 188.A SG TYR 177.A O no hydrogen 3.406 N/A THR 189.A N LYS 185.A O no hydrogen 2.911 N/A THR 189.A OG1 LYS 185.A O no hydrogen 3.335 N/A ALA 190.A N GLU 186.A O no hydrogen 2.752 N/A TYR 191.A N ALA 187.A O no hydrogen 2.970 N/A TYR 191.A N CYS 188.A O no hydrogen 3.332 N/A TYR 191.A OH GLU 226.A OE1 no hydrogen 3.035 N/A ASP 193.A N THR 189.A O no hydrogen 3.017 N/A PHE 194.A N ALA 190.A O no hydrogen 2.981 N/A MET 195.A N TYR 191.A O no hydrogen 2.989 N/A ILE 196.A N VAL 192.A O no hydrogen 2.985 N/A SER 197.A N ASP 193.A O no hydrogen 2.733 N/A SER 197.A OG ASP 193.A O no hydrogen 3.468 N/A VAL 198.A N PHE 194.A O no hydrogen 2.964 N/A ALA 199.A N MET 195.A O no hydrogen 2.967 N/A ARG 200.A N ILE 196.A O no hydrogen 2.955 N/A ARG 200.A N SER 197.A O no hydrogen 3.195 N/A ARG 200.A NE GLU 212.A OE1 no hydrogen 2.908 N/A ARG 200.A NE GLU 212.A OE2 no hydrogen 3.398 N/A ARG 200.A NH2 GLU 212.A OE2 no hydrogen 3.145 N/A LEU 201.A N SER 197.A O no hydrogen 3.222 N/A ILE 202.A N VAL 198.A O no hydrogen 3.162 N/A GLN 204.A N ARG 200.A O no hydrogen 2.975 N/A GLU 205.A N LEU 201.A O no hydrogen 2.773 N/A ARG 207.A N GLN 204.A O no hydrogen 2.754 N/A LEU 208.A N ARG 203.A O no hydrogen 3.269 N/A GLN 214.A N ASP 211.A O no hydrogen 2.931 N/A LEU 215.A N ASP 211.A O no hydrogen 2.983 N/A ALA 216.A N GLU 212.A O no hydrogen 2.828 N/A GLU 218.A N GLN 214.A O no hydrogen 2.785 N/A MET 219.A N LEU 215.A O no hydrogen 2.856 N/A ASN 220.A N LEU 217.A O no hydrogen 3.221 N/A ASN 220.A ND2 ALA 216.A O no hydrogen 3.274 N/A LYS 221.A N LEU 217.A O no hydrogen 3.194 N/A VAL 222.A N GLU 218.A O no hydrogen 3.144 N/A MET 223.A N MET 219.A O no hydrogen 3.291 N/A GLU 224.A N ASN 220.A O no hydrogen 3.060 N/A LEU 225.A N LYS 221.A O no hydrogen 2.872 N/A GLU 226.A N VAL 222.A O no hydrogen 3.073 N/A LYS 227.A N MET 223.A O no hydrogen 2.720 N/A GLU 228.A N GLU 224.A O no hydrogen 3.075 N/A ILE 229.A N LEU 225.A O no hydrogen 2.961 N/A ALA 230.A N GLU 226.A O no hydrogen 2.452 N/A ASN 231.A N LYS 227.A O no hydrogen 2.902 N/A ALA 232.A N GLU 228.A O no hydrogen 3.108 N/A ALA 232.A N ILE 229.A O no hydrogen 3.220 N/A THR 233.A N ALA 230.A O no hydrogen 2.954 N/A THR 233.A OG1 ALA 230.A O no hydrogen 2.229 N/A ALA 234.A N GLN 167.A OE1 no hydrogen 2.901 N/A GLU 237.A N GLU 237.A OE2 no hydrogen 2.457 N/A ARG 239.A N PRO 236.A O no hydrogen 3.348 N/A ARG 239.A NH1 ASP 166.A OD1 no hydrogen 2.879 N/A ARG 239.A NH1 ASP 166.A OD2 no hydrogen 3.421 N/A ARG 239.A NH2 ASP 166.A OD2 no hydrogen 3.090 N/A MET 243.A N ASP 241.A OD1 no hydrogen 3.244 N/A LEU 244.A N ASP 241.A O no hydrogen 3.038 N/A LEU 245.A N ASP 241.A O no hydrogen 3.268 N/A TYR 246.A OH ASP 154.A OD2 no hydrogen 3.110 N/A ASN 247.A ND2 LEU 244.A O no hydrogen 3.259 N/A ASN 247.A ND2 VAL 292.A O no hydrogen 3.139 N/A LYS 248.A NZ TYR 246.A OH no hydrogen 3.076 N/A MET 249.A N VAL 290.A O no hydrogen 2.561 N/A LEU 251.A N GLU 288.A O no hydrogen 3.102 N/A GLN 253.A N THR 250.A OG1 no hydrogen 3.180 N/A ILE 254.A N THR 250.A O no hydrogen 2.987 N/A GLN 255.A N LEU 251.A O no hydrogen 2.541 N/A GLN 255.A NE2 GLN 255.A O no hydrogen 3.100 N/A GLN 255.A NE2 PHE 267.A O no hydrogen 3.243 N/A ASN 256.A N ALA 252.A O no hydrogen 3.029 N/A ASN 257.A N GLN 253.A O no hydrogen 2.546 N/A ASN 257.A N ILE 254.A O no hydrogen 3.064 N/A PHE 258.A N ILE 254.A O no hydrogen 2.924 N/A PHE 267.A N LEU 260.A O no hydrogen 2.447 N/A SER 268.A N GLU 131.A OE2 no hydrogen 3.212 N/A TRP 269.A N GLN 255.A OE1 no hydrogen 3.033 N/A TRP 269.A NE1 PHE 258.A O no hydrogen 3.135 N/A ASN 271.A N SER 268.A OG no hydrogen 2.727 N/A PHE 272.A N SER 268.A O no hydrogen 3.094 N/A THR 273.A N TRP 269.A O no hydrogen 2.942 N/A THR 273.A OG1 TRP 269.A O no hydrogen 2.705 N/A ASN 274.A N LEU 270.A O no hydrogen 3.112 N/A ASN 274.A ND2 LEU 270.A O no hydrogen 3.358 N/A ASN 274.A ND2 ILE 284.A O no hydrogen 2.076 N/A GLU 275.A N ASN 271.A O no hydrogen 2.542 N/A ILE 276.A N PHE 272.A O no hydrogen 3.042 N/A MET 277.A N THR 273.A O no hydrogen 3.110 N/A SER 278.A N ASN 274.A O no hydrogen 2.985 N/A SER 278.A OG SER 278.A O no hydrogen 2.262 N/A THR 279.A OG1 SER 139.A OG no hydrogen 2.532 N/A VAL 280.A N MET 277.A O no hydrogen 2.948 N/A ILE 282.A N MET 277.A O no hydrogen 3.388 N/A THR 285.A OG1 GLU 287.A OE1 no hydrogen 2.990 N/A ASN 286.A ND2 ASN 286.A O no hydrogen 2.889 N/A GLU 288.A N THR 285.A O no hydrogen 2.734 N/A VAL 291.A N ILE 163.A O no hydrogen 3.135 N/A VAL 292.A N ASN 247.A O no hydrogen 2.893 N/A TYR 293.A N ILE 165.A O no hydrogen 2.930 N/A TYR 293.A OH ASP 155.A OD1 no hydrogen 2.880 N/A TYR 297.A OH LEU 146.A O no hydrogen 2.683 N/A LEU 298.A N ALA 294.A O no hydrogen 3.147 N/A LEU 298.A N PRO 295.A O no hydrogen 2.970 N/A THR 299.A N PRO 295.A O no hydrogen 2.996 N/A THR 299.A OG1 PRO 295.A O no hydrogen 3.500 N/A LYS 300.A N TYR 297.A O no hydrogen 3.213 N/A LEU 305.A N LEU 301.A O no hydrogen 2.592 N/A THR 306.A N LYS 302.A O no hydrogen 2.792 N/A THR 306.A OG1 LYS 302.A O no hydrogen 2.113 N/A LYS 307.A N ILE 304.A O no hydrogen 2.898 N/A TYR 308.A N LEU 305.A O no hydrogen 3.297 N/A TYR 308.A OH GLU 228.A OE1 no hydrogen 2.001 N/A SER 309.A N ASP 312.A OD2 no hydrogen 2.864 N/A ARG 311.A NH2 GLU 218.A OE1 no hydrogen 2.809 N/A ARG 311.A NH2 GLU 218.A OE2 no hydrogen 3.015 N/A ASP 312.A N SER 309.A OG no hydrogen 2.225 N/A LEU 313.A N SER 309.A O no hydrogen 3.311 N/A ASN 315.A N ARG 311.A O no hydrogen 3.283 N/A MET 317.A N LEU 313.A O no hydrogen 2.839 N/A SER 318.A N GLN 314.A O no hydrogen 2.760 N/A SER 318.A OG GLY 112.A O no hydrogen 2.945 N/A TRP 319.A N ASN 315.A O no hydrogen 3.130 N/A ARG 320.A N MET 317.A O no hydrogen 3.247 N/A PHE 321.A N MET 317.A O no hydrogen 3.319 N/A ILE 322.A N SER 318.A O no hydrogen 3.101 N/A LEU 325.A N PHE 321.A O no hydrogen 3.432 N/A VAL 326.A N MET 323.A O no hydrogen 3.177 N/A SER 328.A N LEU 325.A O no hydrogen 2.677 N/A LEU 329.A N VAL 326.A O no hydrogen 3.346 N/A ARG 331.A N ASP 96.A OD2 no hydrogen 2.827 N/A ARG 331.A NH2 GLU 92.A OE2 no hydrogen 3.023 N/A TYR 333.A OH GLU 205.A OE1 no hydrogen 2.520 N/A LYS 334.A N SER 330.A O no hydrogen 3.027 N/A LYS 334.A NZ SER 327.A O no hydrogen 2.744 N/A LYS 334.A NZ LEU 329.A O no hydrogen 2.511 N/A GLU 335.A N ARG 331.A O no hydrogen 2.666 N/A SER 336.A N TYR 333.A O no hydrogen 2.790 N/A SER 336.A OG TYR 333.A O no hydrogen 2.150 N/A ARG 337.A N LYS 334.A O no hydrogen 2.969 N/A ASN 338.A N GLU 335.A O no hydrogen 3.018 N/A ARG 341.A N ARG 337.A O no hydrogen 3.374 N/A ARG 341.A N ASN 338.A O no hydrogen 2.842 N/A ARG 341.A NE THR 347.A OG1 no hydrogen 2.979 N/A ARG 341.A NH1 ASN 338.A OD1 no hydrogen 3.093 N/A LYS 342.A N ASN 338.A O no hydrogen 3.059 N/A ALA 343.A N ALA 339.A O no hydrogen 2.806 N/A LEU 344.A N PHE 340.A O no hydrogen 3.254 N/A TYR 345.A N ARG 341.A O no hydrogen 2.610 N/A GLY 346.A N ARG 341.A O no hydrogen 3.238 N/A GLY 346.A N LYS 342.A O no hydrogen 2.989 N/A THR 348.A N GLU 45.A O no hydrogen 3.097 N/A THR 348.A OG1 GLU 45.A OE1 no hydrogen 2.514 N/A SER 349.A OG GLU 350.A O no hydrogen 3.156 N/A THR 351.A N GLU 350.A OE2 no hydrogen 2.559 N/A THR 351.A OG1 ALA 352.A O no hydrogen 3.506 N/A THR 353.A OG1 GLU 92.A OE1 no hydrogen 2.916 N/A ARG 355.A NH1 ASP 58.A O no hydrogen 3.165 N/A ARG 355.A NH1 GLU 61.A OE1 no hydrogen 2.878 N/A ARG 356.A N ALA 352.A O no hydrogen 2.940 N/A ARG 356.A NH1 THR 351.A O no hydrogen 3.021 N/A CYS 357.A N TRP 354.A O no hydrogen 3.231 N/A ALA 358.A N TRP 354.A O no hydrogen 2.749 N/A ASN 359.A N ARG 355.A O no hydrogen 3.062 N/A ASN 359.A ND2 GLU 61.A OE2 no hydrogen 3.408 N/A TYR 360.A N ARG 356.A O no hydrogen 3.055 N/A TYR 360.A N CYS 357.A O no hydrogen 2.981 N/A VAL 361.A N CYS 357.A O no hydrogen 3.342 N/A VAL 361.A N ALA 358.A O no hydrogen 3.195 N/A ASN 362.A N ALA 358.A O no hydrogen 3.041 N/A ASN 362.A ND2 ALA 486.A O no hydrogen 3.407 N/A GLY 363.A N ASN 359.A O no hydrogen 3.176 N/A ASN 364.A N VAL 361.A O no hydrogen 2.878 N/A ASN 364.A ND2 TYR 360.A O no hydrogen 2.553 N/A MET 365.A N VAL 361.A O no hydrogen 2.667 N/A ASN 367.A N TYR 443.A OH no hydrogen 3.196 N/A ASN 367.A ND2 GLU 442.A OE1 no hydrogen 3.310 N/A ASN 367.A ND2 GLU 442.A OE2 no hydrogen 3.064 N/A ALA 368.A N TYR 443.A OH no hydrogen 3.262 N/A VAL 369.A N MET 365.A O no hydrogen 2.909 N/A GLY 370.A N GLU 366.A O no hydrogen 2.565 N/A ARG 371.A N ASN 367.A O no hydrogen 2.839 N/A ARG 371.A NH1 ILE 432.A O no hydrogen 3.018 N/A ARG 371.A NH1 ASP 436.A OD1 no hydrogen 3.246 N/A TYR 373.A N VAL 369.A O no hydrogen 3.246 N/A GLU 375.A N ARG 371.A O no hydrogen 3.370 N/A ALA 376.A N LEU 372.A O no hydrogen 2.996 N/A ALA 377.A N VAL 374.A O no hydrogen 3.032 N/A PHE 378.A N VAL 374.A O no hydrogen 2.868 N/A GLY 380.A N SER 382.A OG no hydrogen 3.093 N/A LYS 383.A N GLY 380.A O no hydrogen 3.192 N/A HIS 384.A N GLU 381.A O no hydrogen 2.410 N/A VAL 385.A N GLU 381.A O no hydrogen 3.188 N/A VAL 386.A N SER 382.A O no hydrogen 3.089 N/A GLU 387.A N LYS 383.A O no hydrogen 3.405 N/A LEU 389.A N VAL 385.A O no hydrogen 3.064 N/A ILE 390.A N VAL 386.A O no hydrogen 2.742 N/A ALA 391.A N GLU 387.A O no hydrogen 2.626 N/A GLN 392.A N ASP 388.A O no hydrogen 2.605 N/A GLN 392.A NE2 ASP 388.A OD1 no hydrogen 3.525 N/A ILE 393.A N LEU 389.A O no hydrogen 3.009 N/A ARG 394.A N ILE 390.A O no hydrogen 2.786 N/A ARG 394.A NH1 ILE 422.A O no hydrogen 2.533 N/A ARG 394.A NH2 ILE 422.A O no hydrogen 2.237 N/A GLU 395.A N ALA 391.A O no hydrogen 3.161 N/A VAL 396.A N GLN 392.A O no hydrogen 3.170 N/A PHE 397.A N ILE 393.A O no hydrogen 2.964 N/A ILE 398.A N ARG 394.A O no hydrogen 2.894 N/A GLN 399.A N GLU 395.A O no hydrogen 2.406 N/A THR 400.A OG1 VAL 396.A O no hydrogen 2.922 N/A ASP 403.A N THR 400.A O no hydrogen 2.614 N/A LEU 404.A N LEU 401.A O no hydrogen 2.630 N/A TRP 406.A NE1 VAL 695.A O no hydrogen 2.605 N/A ASP 408.A N SER 557.A OG no hydrogen 3.182 N/A GLU 410.A N GLU 410.A OE1 no hydrogen 3.149 N/A THR 411.A N ASP 408.A OD2 no hydrogen 2.743 N/A THR 411.A OG1 ASP 408.A OD1 no hydrogen 3.535 N/A THR 411.A OG1 ASP 408.A OD2 no hydrogen 3.024 N/A THR 411.A OG1 THR 554.A OG1 no hydrogen 2.599 N/A LYS 412.A N ASP 408.A O no hydrogen 2.771 N/A LYS 412.A NZ LEU 401.A O no hydrogen 3.068 N/A LYS 412.A NZ LEU 404.A O no hydrogen 2.589 N/A LYS 413.A N GLU 410.A O no hydrogen 2.987 N/A ARG 414.A N GLU 410.A O no hydrogen 3.114 N/A ARG 414.A NE GLU 417.A OE2 no hydrogen 3.212 N/A ALA 415.A N THR 411.A O no hydrogen 3.223 N/A GLU 416.A N LYS 412.A O no hydrogen 3.239 N/A GLU 417.A N LYS 413.A O no hydrogen 3.226 N/A LYS 418.A N ARG 414.A O no hydrogen 3.263 N/A LYS 418.A NZ GLY 535.A O no hydrogen 3.508 N/A LYS 418.A NZ GLY 540.A O no hydrogen 2.339 N/A LYS 418.A NZ PHE 543.A O no hydrogen 1.749 N/A ALA 419.A N ALA 415.A O no hydrogen 3.106 N/A ALA 421.A N LYS 418.A O no hydrogen 2.831 N/A ILE 422.A N ALA 419.A O no hydrogen 2.786 N/A LYS 423.A N ASN 497.A O no hydrogen 3.120 N/A ARG 425.A N ILE 499.A O no hydrogen 2.748 N/A ARG 425.A NH2 LYS 478.A O no hydrogen 3.103 N/A GLY 427.A N PHE 501.A O no hydrogen 3.056 N/A ILE 432.A N PRO 429.A O no hydrogen 2.940 N/A VAL 433.A N ASP 430.A O no hydrogen 3.173 N/A SER 434.A N ASP 430.A O no hydrogen 3.087 N/A SER 434.A N ASP 431.A O no hydrogen 2.538 N/A ASN 435.A N ASP 431.A O no hydrogen 3.044 N/A LYS 438.A N ASN 435.A OD1 no hydrogen 2.881 N/A LYS 438.A NZ ASP 431.A OD1 no hydrogen 1.453 N/A LEU 439.A N ASN 435.A O no hydrogen 3.358 N/A ASN 440.A N ASP 436.A O no hydrogen 2.758 N/A ASN 441.A N ASN 437.A O no hydrogen 2.456 N/A GLU 442.A N LYS 438.A O no hydrogen 2.802 N/A GLU 442.A N LEU 439.A O no hydrogen 2.949 N/A TYR 443.A N ASN 440.A O no hydrogen 3.334 N/A LEU 446.A N TYR 443.A O no hydrogen 2.405 N/A ASN 447.A N GLN 459.A OE1 no hydrogen 3.118 N/A ASN 447.A ND2 LEU 446.A O no hydrogen 3.510 N/A TYR 448.A OH ASN 460.A OD1 no hydrogen 2.027 N/A GLU 455.A N GLU 455.A OE1 no hydrogen 2.639 N/A ASN 456.A N GLU 452.A O no hydrogen 2.920 N/A ILE 457.A N TYR 453.A O no hydrogen 2.696 N/A ILE 458.A N PHE 454.A O no hydrogen 2.663 N/A GLN 459.A N GLU 455.A O no hydrogen 2.904 N/A GLN 459.A NE2 ASN 447.A O no hydrogen 3.016 N/A ASN 460.A N ASN 456.A O no hydrogen 2.639 N/A ASN 460.A ND2 TYR 360.A OH no hydrogen 3.053 N/A LEU 461.A N ILE 457.A O no hydrogen 3.061 N/A LYS 462.A N ILE 458.A O no hydrogen 3.021 N/A PHE 463.A N GLN 459.A O no hydrogen 2.671 N/A SER 464.A N ASN 460.A O no hydrogen 3.085 N/A GLN 465.A N LEU 461.A O no hydrogen 3.271 N/A SER 466.A N LYS 462.A O no hydrogen 3.217 N/A LYS 467.A N PHE 463.A O no hydrogen 3.032 N/A GLN 468.A N GLN 465.A O no hydrogen 2.667 N/A LEU 469.A N GLN 465.A O no hydrogen 2.559 N/A LYS 470.A N SER 466.A O no hydrogen 2.997 N/A ARG 473.A NH1 GLU 288.A OE1 no hydrogen 2.619 N/A ARG 473.A NH2 SER 283.A O no hydrogen 3.454 N/A ARG 473.A NH2 GLU 288.A OE1 no hydrogen 2.768 N/A GLU 474.A N LYS 471.A O no hydrogen 2.877 N/A LYS 475.A N GLU 474.A OE1 no hydrogen 3.099 N/A VAL 476.A N VAL 159.A O no hydrogen 2.897 N/A ASP 479.A N ASP 477.A OD1 no hydrogen 2.144 N/A GLU 480.A N ASP 477.A O no hydrogen 3.308 N/A SER 483.A OG GLY 484.A O no hydrogen 2.798 N/A PHE 491.A N VAL 500.A O no hydrogen 3.070 N/A SER 493.A N GLN 498.A O no hydrogen 2.967 N/A SER 494.A OG ASN 539.A OD1 no hydrogen 3.416 N/A ASN 497.A N SER 494.A O no hydrogen 3.324 N/A ILE 499.A N LYS 423.A O no hydrogen 2.920 N/A VAL 500.A N PHE 491.A O no hydrogen 3.101 N/A PHE 501.A N ARG 425.A O no hydrogen 2.806 N/A ALA 503.A N GLY 427.A O no hydrogen 3.386 N/A ILE 505.A N PRO 502.A O no hydrogen 3.020 N/A LEU 506.A N PRO 502.A O no hydrogen 3.248 N/A GLN 507.A NE2 GLY 504.A O no hydrogen 3.081 N/A PHE 510.A N GLN 507.A O no hydrogen 3.122 N/A PHE 511.A N GLN 507.A O no hydrogen 3.340 N/A SER 512.A N ASN 520.A OD1 no hydrogen 3.379 N/A GLN 515.A NE2 PRO 509.A O no hydrogen 3.112 N/A GLN 515.A NE2 ASN 520.A OD1 no hydrogen 3.071 N/A ASN 517.A N GLU 618.A OE2 no hydrogen 3.445 N/A SER 518.A N GLU 618.A OE1 no hydrogen 3.260 N/A SER 518.A OG GLU 618.A OE1 no hydrogen 3.213 N/A LEU 519.A N SER 516.A O no hydrogen 3.246 N/A ASN 520.A ND2 SER 512.A O no hydrogen 3.524 N/A TYR 521.A N ASN 517.A O no hydrogen 2.774 N/A TYR 521.A OH GLN 392.A OE1 no hydrogen 2.626 N/A GLY 522.A N SER 518.A O no hydrogen 2.905 N/A GLY 523.A N ASN 520.A O no hydrogen 3.243 N/A ILE 524.A N PHE 510.A O no hydrogen 3.070 N/A GLY 525.A N ASN 520.A O no hydrogen 2.847 N/A VAL 527.A N GLY 523.A O no hydrogen 3.129 N/A ILE 528.A N ILE 524.A O no hydrogen 2.660 N/A ILE 528.A N GLY 525.A O no hydrogen 3.084 N/A GLY 529.A N GLY 525.A O no hydrogen 3.273 N/A HIS 530.A N VAL 527.A O no hydrogen 3.086 N/A GLU 531.A N VAL 527.A O no hydrogen 3.144 N/A ILE 532.A N ILE 528.A O no hydrogen 3.066 N/A THR 533.A N GLY 529.A O no hydrogen 3.023 N/A THR 533.A OG1 GLY 529.A O no hydrogen 2.353 N/A HIS 534.A N HIS 530.A O no hydrogen 3.249 N/A HIS 534.A ND1 ASP 537.A OD2 no hydrogen 3.232 N/A HIS 534.A NE2 HIS 530.A NE2 no hydrogen 2.999 N/A HIS 534.A NE2 GLU 593.A OE1 no hydrogen 3.023 N/A PHE 536.A N THR 533.A O no hydrogen 2.556 N/A ASN 539.A N ASP 537.A OD1 no hydrogen 2.149 N/A GLY 540.A N ASP 537.A OD1 no hydrogen 2.841 N/A ARG 541.A N ASP 537.A O no hydrogen 2.969 N/A ASN 542.A N ASN 539.A O no hydrogen 3.047 N/A ASN 542.A ND2 ASP 538.A O no hydrogen 2.936 N/A ASN 542.A ND2 ASN 539.A O no hydrogen 2.557 N/A PHE 543.A N GLY 540.A O no hydrogen 3.001 N/A ASN 544.A N ASP 548.A O no hydrogen 2.955 N/A ASP 546.A N ASN 544.A OD1 no hydrogen 2.287 N/A GLY 547.A N ASN 544.A O no hydrogen 3.454 N/A ASP 548.A N ASN 544.A OD1 no hydrogen 3.313 N/A LEU 549.A N ASP 155.A O no hydrogen 2.686 N/A TRP 552.A NE1 PHE 543.A O no hydrogen 3.107 N/A TRP 553.A N ASP 551.A OD1 no hydrogen 2.862 N/A THR 554.A N THR 411.A OG1 no hydrogen 3.034 N/A THR 554.A OG1 ASP 408.A OD1 no hydrogen 2.185 N/A THR 554.A OG1 THR 411.A OG1 no hydrogen 2.599 N/A SER 557.A OG ASP 408.A OD1 no hydrogen 3.073 N/A ALA 558.A N THR 554.A O no hydrogen 2.924 N/A SER 559.A N GLN 555.A O no hydrogen 3.413 N/A ASN 560.A N GLN 556.A O no hydrogen 3.111 N/A ASN 560.A ND2 TRP 406.A O no hydrogen 2.646 N/A PHE 561.A N SER 557.A O no hydrogen 3.144 N/A LYS 562.A N ALA 558.A O no hydrogen 3.066 N/A GLU 563.A N SER 559.A O no hydrogen 2.996 N/A GLN 564.A N ASN 560.A O no hydrogen 2.574 N/A GLN 564.A NE2 ARG 694.A O no hydrogen 2.920 N/A SER 565.A N PHE 561.A O no hydrogen 2.631 N/A SER 565.A OG PHE 561.A O no hydrogen 3.115 N/A GLN 566.A N LYS 562.A O no hydrogen 2.665 N/A CYS 567.A N GLN 564.A O no hydrogen 2.835 N/A VAL 569.A N SER 565.A O no hydrogen 3.100 N/A TYR 570.A N GLN 566.A O no hydrogen 3.252 N/A TYR 570.A N CYS 567.A O no hydrogen 2.878 N/A GLN 571.A N CYS 567.A O no hydrogen 2.988 N/A GLN 571.A NE2 GLY 667.A O no hydrogen 2.963 N/A GLN 571.A NE2 GLN 670.A OE1 no hydrogen 3.166 N/A TYR 572.A N MET 568.A O no hydrogen 3.195 N/A ASN 574.A N GLN 571.A O no hydrogen 2.864 N/A ASN 574.A ND2 TYR 570.A O no hydrogen 3.314 N/A PHE 575.A N TYR 572.A O no hydrogen 3.160 N/A SER 576.A OG GLY 582.A O no hydrogen 2.197 N/A TRP 577.A N GLN 583.A O no hydrogen 2.866 N/A ALA 580.A N TRP 577.A O no hydrogen 2.901 N/A GLY 581.A N ASP 578.A O no hydrogen 2.743 N/A GLY 582.A N TRP 577.A O no hydrogen 2.680 N/A GLN 583.A NE2 ALA 580.A O no hydrogen 3.482 N/A LEU 585.A N PHE 575.A O no hydrogen 3.266 N/A ASN 586.A ND2 GLU 237.A OE1 no hydrogen 2.870 N/A ASN 589.A N ASN 586.A OD1 no hydrogen 2.691 N/A THR 590.A N ASN 586.A O no hydrogen 3.156 N/A THR 590.A OG1 ASN 586.A O no hydrogen 2.400 N/A LEU 591.A N ILE 588.A O no hydrogen 2.927 N/A ASN 594.A N THR 590.A O no hydrogen 2.964 N/A ILE 595.A N LEU 591.A O no hydrogen 2.686 N/A ALA 596.A N GLY 592.A O no hydrogen 3.052 N/A ASP 597.A N GLU 593.A O no hydrogen 3.014 N/A ASN 598.A N ASN 594.A O no hydrogen 3.224 N/A ASN 598.A ND2 TYR 572.A OH no hydrogen 3.427 N/A ASN 598.A ND2 ASN 594.A O no hydrogen 3.260 N/A GLY 599.A N ILE 595.A O no hydrogen 3.281 N/A GLY 600.A N ALA 596.A O no hydrogen 3.116 N/A LEU 601.A N ASP 597.A O no hydrogen 2.939 N/A GLY 602.A N ASN 598.A O no hydrogen 3.455 N/A GLN 603.A N GLY 599.A O no hydrogen 2.721 N/A GLN 603.A NE2 THR 533.A OG1 no hydrogen 2.390 N/A ALA 604.A N LEU 601.A O no hydrogen 2.640 N/A TYR 605.A N LEU 601.A O no hydrogen 2.798 N/A ARG 606.A N GLY 602.A O no hydrogen 2.993 N/A ALA 607.A N GLN 603.A O no hydrogen 3.153 N/A TYR 608.A N ALA 604.A O no hydrogen 2.867 N/A TYR 608.A N TYR 605.A O no hydrogen 2.422 N/A TYR 608.A OH GLU 618.A OE1 no hydrogen 2.486 N/A GLN 609.A N TYR 605.A O no hydrogen 2.712 N/A ASN 610.A N ARG 606.A O no hydrogen 3.021 N/A ILE 612.A N TYR 608.A O no hydrogen 2.923 N/A LYS 613.A N GLN 609.A O no hydrogen 2.917 N/A LYS 614.A N ASN 610.A O no hydrogen 3.095 N/A ASN 615.A N TYR 611.A O no hydrogen 2.936 N/A ASN 615.A N ILE 612.A O no hydrogen 3.128 N/A GLY 616.A N ILE 612.A O no hydrogen 2.679 N/A GLU 618.A N GLU 617.A OE2 no hydrogen 3.417 N/A LEU 626.A N LEU 624.A O no hydrogen 2.767 N/A ASN 627.A N GLN 630.A OE1 no hydrogen 2.489 N/A LYS 629.A NZ TYR 605.A OH no hydrogen 2.923 N/A GLN 630.A N ASN 627.A O no hydrogen 2.984 N/A GLN 630.A N ASN 627.A OD1 no hydrogen 2.610 N/A LEU 631.A N ASN 627.A O no hydrogen 2.975 N/A PHE 632.A N HIS 628.A O no hydrogen 2.770 N/A LEU 634.A N GLN 630.A O no hydrogen 2.695 N/A ASN 635.A N LEU 631.A O no hydrogen 2.932 N/A PHE 636.A N PHE 632.A O no hydrogen 3.280 N/A ALA 637.A N PHE 633.A O no hydrogen 2.856 N/A GLN 638.A N LEU 634.A O no hydrogen 2.915 N/A GLN 638.A N ASN 635.A O no hydrogen 2.964 N/A GLN 638.A NE2 LEU 15.A O no hydrogen 2.740 N/A GLN 638.A NE2 ALA 33.A O no hydrogen 3.143 N/A VAL 639.A N ASN 635.A O no hydrogen 3.080 N/A TRP 640.A N ALA 637.A O no hydrogen 3.162 N/A CYS 641.A N GLN 638.A O no hydrogen 3.030 N/A CYS 641.A SG ALA 33.A O no hydrogen 3.904 N/A CYS 641.A SG GLN 638.A O no hydrogen 3.523 N/A THR 643.A N TYR 50.A O no hydrogen 3.101 N/A THR 643.A OG1 TYR 644.A O no hydrogen 3.510 N/A TYR 644.A N THR 643.A OG1 no hydrogen 2.358 N/A ARG 645.A N SER 48.A O no hydrogen 3.009 N/A ARG 645.A NE SER 47.A O no hydrogen 3.075 N/A ARG 645.A NH2 GLU 45.A OE2 no hydrogen 3.057 N/A GLU 647.A N GLU 647.A OE2 no hydrogen 2.886 N/A TYR 648.A N ARG 645.A O no hydrogen 3.055 N/A ALA 649.A N ARG 645.A O no hydrogen 3.123 N/A VAL 650.A N PRO 646.A O no hydrogen 3.124 N/A ASN 651.A N GLU 647.A O no hydrogen 3.265 N/A SER 652.A N TYR 648.A O no hydrogen 2.408 N/A ILE 653.A N ALA 649.A O no hydrogen 2.778 N/A LYS 654.A N ASN 651.A O no hydrogen 2.979 N/A THR 655.A N SER 652.A O no hydrogen 2.990 N/A THR 655.A OG1 ASN 651.A O no hydrogen 2.472 N/A ASP 656.A N SER 652.A O no hydrogen 2.770 N/A HIS 658.A N ASP 656.A OD1 no hydrogen 2.721 N/A HIS 658.A ND1 ASP 656.A OD1 no hydrogen 2.831 N/A SER 659.A OG ASN 594.A OD1 no hydrogen 2.620 N/A ARG 664.A N PRO 660.A O no hydrogen 2.893 N/A ARG 664.A NE ASP 597.A OD1 no hydrogen 3.101 N/A ARG 664.A NH2 ASP 597.A OD1 no hydrogen 3.493 N/A ARG 664.A NH2 ASP 597.A OD2 no hydrogen 2.979 N/A ILE 665.A N GLY 661.A O no hydrogen 3.121 N/A ILE 666.A N ASN 662.A O no hydrogen 3.154 N/A GLY 667.A N PHE 663.A O no hydrogen 3.119 N/A THR 668.A OG1 TYR 572.A OH no hydrogen 3.424 N/A THR 668.A OG1 ASN 598.A OD1 no hydrogen 3.211 N/A THR 668.A OG1 ARG 664.A O no hydrogen 3.002 N/A LEU 669.A N ILE 665.A O no hydrogen 2.714 N/A GLN 670.A N ILE 666.A O no hydrogen 2.575 N/A GLN 670.A NE2 TYR 686.A O no hydrogen 3.174 N/A ASN 671.A N THR 668.A O no hydrogen 3.095 N/A ASN 671.A ND2 GLN 571.A OE1 no hydrogen 2.854 N/A ASN 671.A ND2 ASN 598.A OD1 no hydrogen 3.691 N/A SER 672.A N LEU 669.A O no hydrogen 2.832 N/A PHE 675.A N SER 672.A O no hydrogen 3.151 N/A PHE 675.A N SER 672.A OG no hydrogen 3.037 N/A SER 676.A N SER 672.A O no hydrogen 3.285 N/A GLU 677.A N ALA 673.A O no hydrogen 3.101 N/A ALA 678.A N GLU 674.A O no hydrogen 3.167 N/A PHE 679.A N PHE 675.A O no hydrogen 3.272 N/A HIS 680.A N GLU 677.A O no hydrogen 3.043 N/A CYS 681.A N SER 676.A O no hydrogen 2.901 N/A CYS 681.A SG PHE 679.A O no hydrogen 3.328 N/A SER 685.A N ARG 682.A O no hydrogen 2.887 N/A SER 685.A OG ARG 682.A O no hydrogen 1.584 N/A SER 685.A OG LYS 683.A O no hydrogen 3.196 N/A MET 687.A N CYS 26.A O no hydrogen 3.198 N/A ASN 688.A N SER 685.A O no hydrogen 2.095 N/A ASN 688.A ND2 ARG 682.A O no hydrogen 3.155 N/A CYS 693.A N ASN 671.A OD1 no hydrogen 2.688 N/A CYS 693.A SG GLN 571.A OE1 no hydrogen 3.971 N/A ARG 694.A NE TRP 696.A OXT no hydrogen 2.919 N/A ARG 694.A NH2 TRP 696.A O no hydrogen 3.234 N/A ARG 694.A NH2 TRP 696.A OXT no hydrogen 3.338 N/A