Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8f3i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N THR 1.A O no hydrogen 3.482 N/A GLY 7.A N ALA 3.A O no hydrogen 3.129 N/A GLU 8.A N VAL 4.A O no hydrogen 3.123 N/A LYS 9.A N GLU 5.A O no hydrogen 3.187 N/A THR 10.A N ALA 6.A O no hydrogen 3.077 N/A THR 10.A OG1 ALA 6.A O no hydrogen 3.065 N/A THR 10.A OG1 THR 107.A O no hydrogen 3.326 N/A VAL 11.A N GLY 7.A O no hydrogen 3.133 N/A GLU 12.A N GLU 8.A O no hydrogen 3.199 N/A GLN 13.A N LYS 9.A O no hydrogen 3.057 N/A PHE 14.A N THR 10.A O no hydrogen 2.895 N/A VAL 15.A N VAL 11.A O no hydrogen 3.034 N/A GLN 16.A N GLU 12.A O no hydrogen 2.931 N/A ALA 17.A N GLN 13.A O no hydrogen 3.112 N/A LEU 18.A N PHE 14.A O no hydrogen 3.172 N/A ASN 19.A N VAL 15.A O no hydrogen 2.724 N/A ASN 19.A ND2 LEU 61.A O no hydrogen 2.383 N/A LYS 20.A N GLN 16.A O no hydrogen 2.912 N/A GLY 21.A N LEU 18.A O no hydrogen 3.155 N/A TYR 23.A N GLY 21.A O no hydrogen 3.043 N/A LYS 25.A N ASP 22.A OD1 no hydrogen 3.405 N/A ALA 26.A N ASP 22.A O no hydrogen 3.329 N/A ALA 27.A N TYR 23.A O no hydrogen 3.063 N/A GLU 28.A N ASN 24.A O no hydrogen 3.201 N/A MET 29.A N ALA 26.A O no hydrogen 3.322 N/A THR 30.A OG1 ALA 27.A O no hydrogen 2.716 N/A SER 31.A N ILE 109.A O no hydrogen 2.808 N/A SER 31.A OG THR 108.A OG1 no hydrogen 3.286 N/A SER 31.A OG ASN 110.A OD1 no hydrogen 2.538 N/A ALA 34.A N SER 38.A O no hydrogen 2.990 N/A LYS 37.A N ALA 34.A O no hydrogen 3.211 N/A SER 38.A N LYS 32.A O no hydrogen 3.313 N/A SER 38.A OG SER 31.A O no hydrogen 2.905 N/A SER 38.A OG ILE 109.A O no hydrogen 3.400 N/A ALA 39.A N TRP 111.A O no hydrogen 2.968 N/A SER 41.A N GLU 44.A OE1 no hydrogen 3.078 N/A GLU 44.A N SER 41.A OG no hydrogen 3.383 N/A ILE 45.A N SER 41.A O no hydrogen 2.945 N/A LEU 46.A N GLU 42.A O no hydrogen 3.007 N/A ASP 47.A N LYS 43.A O no hydrogen 3.235 N/A LYS 48.A N GLU 44.A O no hydrogen 3.066 N/A TYR 49.A N ILE 45.A O no hydrogen 3.060 N/A TYR 49.A OH LEU 115.A O no hydrogen 2.764 N/A GLN 50.A N LEU 46.A O no hydrogen 3.098 N/A ASN 51.A N ASP 47.A O no hydrogen 2.937 N/A ILE 52.A N LYS 48.A O no hydrogen 3.093 N/A TYR 53.A N TYR 49.A O no hydrogen 2.784 N/A TYR 53.A OH VAL 116.A O no hydrogen 2.902 N/A GLY 54.A N GLN 50.A O no hydrogen 3.191 N/A ALA 55.A N ASN 51.A O no hydrogen 2.943 N/A ALA 56.A N ILE 52.A O no hydrogen 3.172 N/A ASP 57.A N GLY 54.A O no hydrogen 3.437 N/A VAL 58.A N TYR 53.A O no hydrogen 2.820 N/A LYS 59.A N ASN 85.A O no hydrogen 2.766 N/A LYS 59.A NZ ASP 249.A O no hydrogen 2.781 N/A GLN 62.A N LYS 83.A O no hydrogen 3.177 N/A SER 64.A N LYS 81.A O no hydrogen 2.714 N/A LYS 67.A N SER 79.A O no hydrogen 2.975 N/A ASP 69.A N SER 77.A O no hydrogen 2.961 N/A LYS 71.A N THR 75.A O no hydrogen 3.003 N/A SER 74.A N ASP 72.A OD2 no hydrogen 3.294 N/A SER 74.A OG ASP 72.A OD2 no hydrogen 3.423 N/A PHE 78.A N GLY 98.A O no hydrogen 3.298 N/A SER 79.A N LYS 67.A O no hydrogen 3.042 N/A TYR 80.A N TYR 96.A O no hydrogen 3.139 N/A LYS 81.A N SER 64.A O no hydrogen 2.834 N/A LYS 81.A NZ SER 95.A OG no hydrogen 3.194 N/A ALA 82.A N LEU 94.A O no hydrogen 2.978 N/A LYS 83.A N GLN 62.A O no hydrogen 3.007 N/A MET 84.A N LEU 91.A O no hydrogen 2.859 N/A ASN 85.A N LYS 59.A O no hydrogen 3.087 N/A THR 86.A N GLY 89.A O no hydrogen 2.884 N/A THR 86.A OG1 GLY 89.A O no hydrogen 2.966 N/A SER 87.A N ALA 56.A O no hydrogen 2.925 N/A SER 87.A OG ALA 56.A O no hydrogen 3.115 N/A SER 87.A OG ASP 57.A OD2 no hydrogen 3.212 N/A LEU 88.A N THR 86.A OG1 no hydrogen 3.254 N/A GLY 89.A N THR 86.A O no hydrogen 3.226 N/A LEU 91.A N MET 84.A O no hydrogen 2.714 N/A LEU 94.A N ALA 82.A O no hydrogen 3.079 N/A TYR 96.A N TYR 80.A O no hydrogen 2.980 N/A TYR 96.A OH VAL 116.A O no hydrogen 2.896 N/A GLY 98.A N PHE 78.A O no hydrogen 3.250 N/A LEU 100.A N TYR 76.A O no hydrogen 2.547 N/A ASP 101.A N THR 108.A O no hydrogen 2.890 N/A ARG 102.A N SER 74.A O no hydrogen 3.014 N/A THR 108.A N ASP 101.A O no hydrogen 3.127 N/A THR 108.A OG1 SER 31.A OG no hydrogen 3.286 N/A ILE 109.A N MET 29.A O no hydrogen 2.906 N/A ASN 110.A N THR 99.A O no hydrogen 3.011 N/A ASN 110.A ND2 THR 99.A OG1 no hydrogen 2.983 N/A TRP 111.A N SER 38.A OG no hydrogen 3.369 N/A TRP 111.A NE1 TYR 49.A OH no hydrogen 3.142 N/A LEU 115.A N GLN 112.A O no hydrogen 3.059 N/A VAL 116.A N PRO 113.A O no hydrogen 3.200 N/A MET 120.A N PHE 117.A O no hydrogen 3.213 N/A GLU 121.A N ASP 124.A OD2 no hydrogen 2.574 N/A ASP 124.A N GLU 121.A O no hydrogen 3.271 N/A LYS 125.A N THR 284.A O no hydrogen 2.723 N/A LYS 125.A NZ ASN 123.A O no hydrogen 3.156 N/A SER 127.A N SER 282.A O no hydrogen 2.919 N/A THR 129.A N LYS 280.A O no hydrogen 3.074 N/A GLN 131.A N GLY 278.A O no hydrogen 2.567 N/A ALA 134.A N ASN 301.A OD1 no hydrogen 3.101 N/A ARG 135.A NE GLU 266.A OE1 no hydrogen 3.044 N/A ARG 135.A NH1 ASP 270.A OD1 no hydrogen 2.895 N/A ARG 135.A NH2 GLU 266.A OE1 no hydrogen 3.198 N/A ARG 135.A NH2 ASP 270.A OD1 no hydrogen 2.882 N/A GLY 136.A N LEU 273.A O no hydrogen 2.634 N/A ASN 137.A N ASP 304.A OD1 no hydrogen 2.887 N/A ILE 138.A N ALA 147.A O no hydrogen 2.816 N/A ILE 139.A N ILE 305.A O no hydrogen 2.893 N/A ASP 140.A N GLU 144.A O no hydrogen 2.866 N/A ARG 141.A N ILE 309.A O no hydrogen 2.834 N/A ARG 141.A NH1 THR 308.A O no hydrogen 2.871 N/A ARG 141.A NH1 ASP 337.A OD2 no hydrogen 2.988 N/A ARG 141.A NH2 ASP 337.A OD2 no hydrogen 3.372 N/A ASN 142.A N ASP 140.A OD1 no hydrogen 3.001 N/A GLY 143.A N ASP 140.A O no hydrogen 3.187 N/A GLU 144.A N ASP 140.A OD1 no hydrogen 2.398 N/A LEU 146.A N ILE 138.A O no hydrogen 2.704 N/A ALA 147.A N ILE 138.A O no hydrogen 2.995 N/A THR 148.A N TYR 226.A O no hydrogen 3.015 N/A GLY 150.A N GLY 224.A O no hydrogen 3.066 N/A LEU 152.A N VAL 222.A O no hydrogen 2.668 N/A LYS 153.A NZ GLY 208.A O no hydrogen 3.069 N/A GLN 154.A N GLN 220.A O no hydrogen 3.012 N/A GLN 154.A NE2 LEU 155.A O no hydrogen 3.362 N/A GLN 154.A NE2 LYS 204.A O no hydrogen 3.454 N/A LEU 155.A N LYS 204.A O no hydrogen 2.927 N/A GLY 156.A N THR 218.A O no hydrogen 3.262 N/A VAL 157.A N VAL 201.A O no hydrogen 3.102 N/A VAL 158.A N GLY 216.A O no hydrogen 3.195 N/A SER 160.A N PRO 197.A O no hydrogen 2.988 N/A SER 160.A OG PRO 197.A O no hydrogen 3.359 N/A LYS 161.A N VAL 158.A O no hydrogen 3.121 N/A THR 169.A N GLY 165.A O no hydrogen 3.172 N/A THR 169.A OG1 GLY 165.A O no hydrogen 2.766 N/A ALA 170.A N GLY 166.A O no hydrogen 3.108 N/A ASN 171.A N GLU 167.A O no hydrogen 3.257 N/A ASN 171.A ND2 LEU 162.A O no hydrogen 2.659 N/A ILE 172.A N LYS 168.A O no hydrogen 2.896 N/A LYS 173.A N THR 169.A O no hydrogen 3.021 N/A ALA 174.A N ALA 170.A O no hydrogen 2.882 N/A ILE 175.A N ASN 171.A O no hydrogen 2.668 N/A ALA 176.A N ILE 172.A O no hydrogen 2.905 N/A SER 177.A N LYS 173.A O no hydrogen 3.216 N/A SER 177.A OG LYS 173.A O no hydrogen 3.279 N/A SER 178.A N ILE 175.A O no hydrogen 3.373 N/A SER 178.A OG GLU 212.A O no hydrogen 3.502 N/A PHE 179.A N ILE 175.A O no hydrogen 3.271 N/A LEU 181.A N ALA 176.A O no hydrogen 3.124 N/A ALA 185.A N THR 182.A O no hydrogen 2.844 N/A ILE 186.A N THR 182.A O no hydrogen 3.261 N/A ALA 189.A N ALA 185.A O no hydrogen 3.067 N/A ILE 190.A N ILE 186.A O no hydrogen 3.413 N/A SER 191.A OG ASN 187.A O no hydrogen 2.565 N/A TRP 194.A NE1 GLN 192.A OE1 no hydrogen 2.514 N/A VAL 195.A N GLN 192.A O no hydrogen 3.174 N/A TYR 199.A N GLN 196.A O no hydrogen 3.112 N/A VAL 201.A N VAL 157.A O no hydrogen 2.961 N/A LEU 203.A N LEU 155.A O no hydrogen 2.676 N/A ILE 206.A N LYS 153.A O no hydrogen 3.187 N/A ALA 217.A N PRO 214.A O no hydrogen 3.366 N/A THR 218.A N GLY 156.A O no hydrogen 2.927 N/A THR 218.A OG1 GLY 156.A O no hydrogen 3.337 N/A GLN 220.A N GLN 154.A O no hydrogen 3.055 N/A VAL 222.A N LEU 152.A O no hydrogen 2.969 N/A GLY 224.A N GLY 150.A O no hydrogen 2.963 N/A ARG 225.A NE GLU 266.A OE2 no hydrogen 2.934 N/A ARG 225.A NH1 GLY 136.A O no hydrogen 2.853 N/A ARG 225.A NH1 THR 149.A OG1 no hydrogen 3.126 N/A ARG 225.A NH2 GLY 136.A O no hydrogen 2.821 N/A ARG 225.A NH2 GLU 266.A OE1 no hydrogen 3.136 N/A ARG 225.A NH2 GLU 266.A OE2 no hydrogen 3.425 N/A TYR 226.A N THR 148.A O no hydrogen 2.703 N/A TYR 227.A N ASN 350.A OD1 no hydrogen 2.796 N/A TYR 227.A OH GLU 266.A OE2 no hydrogen 2.843 N/A GLY 230.A N TYR 227.A O no hydrogen 3.200 N/A ALA 232.A N LEU 229.A O no hydrogen 3.205 N/A ALA 233.A N GLY 230.A O no hydrogen 3.470 N/A ALA 234.A N GLU 231.A O no hydrogen 3.354 N/A GLN 235.A N GLN 235.A OE1 no hydrogen 2.888 N/A GLN 235.A NE2 SER 343.A O no hydrogen 3.352 N/A GLN 235.A NE2 PRO 371.A O no hydrogen 2.959 N/A ILE 237.A N ALA 233.A O no hydrogen 2.898 N/A GLY 238.A N ALA 234.A O no hydrogen 2.756 N/A GLY 241.A N ILE 260.A O no hydrogen 2.861 N/A ILE 243.A N GLY 258.A O no hydrogen 3.374 N/A THR 244.A N ASP 247.A OD2 no hydrogen 3.130 N/A THR 244.A OG1 ASP 247.A OD2 no hydrogen 2.953 N/A ASP 247.A N THR 244.A OG1 no hydrogen 3.237 N/A ILE 248.A N THR 244.A O no hydrogen 3.314 N/A ASP 249.A N ALA 245.A O no hydrogen 3.122 N/A LYS 250.A N GLU 246.A O no hydrogen 3.349 N/A LYS 250.A N ASP 247.A O no hydrogen 3.137 N/A ASN 251.A N ASP 247.A O no hydrogen 2.992 N/A LEU 254.A N ASN 251.A O no hydrogen 3.272 N/A SER 255.A OG GLU 132.A OE2 no hydrogen 3.275 N/A GLY 258.A N SER 255.A O no hydrogen 3.001 N/A LYS 259.A NZ ASP 242.A OD1 no hydrogen 2.773 N/A ILE 260.A N GLY 241.A O no hydrogen 2.915 N/A GLY 261.A N ASP 270.A OD1 no hydrogen 3.036 N/A ARG 262.A N TYR 239.A O no hydrogen 2.857 N/A ARG 262.A NH1 ASP 247.A OD1 no hydrogen 3.316 N/A ARG 262.A NH1 ASP 247.A OD2 no hydrogen 3.248 N/A ARG 262.A NH2 ASP 242.A O no hydrogen 3.082 N/A ARG 262.A NH2 ASP 247.A OD2 no hydrogen 2.799 N/A LEU 265.A N LEU 236.A O no hydrogen 2.945 N/A GLU 266.A N ILE 237.A O no hydrogen 2.928 N/A ALA 268.A N GLY 264.A O no hydrogen 2.969 N/A PHE 269.A N LEU 265.A O no hydrogen 2.787 N/A ASP 270.A N MET 267.A O no hydrogen 3.423 N/A LEU 273.A N PHE 269.A O no hydrogen 2.931 N/A ARG 274.A N ASP 270.A O no hydrogen 2.884 N/A ARG 274.A NH1 ASP 270.A OD2 no hydrogen 2.999 N/A THR 276.A N GLN 300.A O no hydrogen 3.110 N/A THR 276.A OG1 GLN 300.A OE1 no hydrogen 3.365 N/A GLY 278.A N GLN 131.A O no hydrogen 3.260 N/A GLY 279.A N HIS 297.A O no hydrogen 2.925 N/A LYS 280.A N THR 129.A O no hydrogen 2.865 N/A LYS 280.A NZ GLU 290.A OE1 no hydrogen 3.278 N/A LYS 280.A NZ GLU 290.A OE2 no hydrogen 3.434 N/A LEU 281.A N ILE 295.A O no hydrogen 2.720 N/A SER 282.A N SER 127.A O no hydrogen 2.972 N/A SER 282.A OG GLU 290.A OE1 no hydrogen 3.499 N/A ILE 283.A N LYS 292.A O no hydrogen 2.651 N/A THR 284.A N LYS 125.A O no hydrogen 2.756 N/A THR 284.A OG1 ASP 285.A O no hydrogen 3.259 N/A ASP 285.A N VAL 289.A O no hydrogen 3.070 N/A ASP 287.A N ASP 285.A OD1 no hydrogen 2.870 N/A GLY 288.A N ASP 285.A O no hydrogen 3.023 N/A VAL 289.A N ASP 285.A OD1 no hydrogen 3.054 N/A LYS 291.A N ILE 283.A O no hydrogen 2.706 N/A LYS 291.A NZ GLU 119.A O no hydrogen 2.941 N/A LYS 291.A NZ ASP 124.A OD2 no hydrogen 2.644 N/A LYS 292.A N ILE 283.A O no hydrogen 3.138 N/A LEU 294.A N LEU 281.A O no hydrogen 2.780 N/A ILE 295.A N LEU 281.A O no hydrogen 3.136 N/A HIS 297.A N GLY 279.A O no hydrogen 3.115 N/A HIS 297.A NE2 LEU 88.A O no hydrogen 2.790 N/A GLN 300.A N THR 276.A O no hydrogen 3.346 N/A GLY 302.A N ALA 134.A O no hydrogen 2.793 N/A LYS 303.A N ASP 272.A O no hydrogen 2.999 N/A ILE 305.A N ASN 137.A O no hydrogen 2.810 N/A LEU 307.A N ILE 139.A O no hydrogen 2.763 N/A THR 308.A N LEU 531.A O no hydrogen 2.660 N/A THR 308.A OG1 LEU 338.A O no hydrogen 2.811 N/A THR 308.A OG1 LYS 530.A O no hydrogen 2.923 N/A THR 308.A OG1 LEU 531.A O no hydrogen 3.168 N/A ASP 310.A N LEU 339.A O no hydrogen 2.742 N/A ALA 311.A N ASP 140.A OD2 no hydrogen 3.351 N/A LYS 312.A N ASP 310.A OD1 no hydrogen 2.862 N/A ALA 313.A N ASP 310.A OD1 no hydrogen 3.325 N/A GLN 314.A N ASP 310.A O no hydrogen 2.820 N/A GLN 314.A NE2 ALA 232.A O no hydrogen 2.901 N/A GLN 314.A NE2 LEU 341.A O no hydrogen 3.010 N/A LYS 315.A N ALA 311.A O no hydrogen 3.143 N/A THR 316.A N LYS 312.A O no hydrogen 3.027 N/A THR 316.A OG1 LYS 312.A O no hydrogen 2.984 N/A ALA 317.A N ALA 313.A O no hydrogen 2.848 N/A PHE 318.A N GLN 314.A O no hydrogen 3.016 N/A ASP 319.A N LYS 315.A O no hydrogen 2.959 N/A SER 320.A N THR 316.A O no hydrogen 3.069 N/A SER 320.A OG THR 316.A O no hydrogen 2.776 N/A LEU 321.A N PHE 318.A O no hydrogen 3.130 N/A GLY 322.A N ASP 319.A O no hydrogen 3.107 N/A LYS 324.A N LEU 321.A O no hydrogen 2.792 N/A LYS 324.A NZ GLU 620.A OE1 no hydrogen 3.048 N/A LYS 324.A NZ GLU 620.A OE2 no hydrogen 3.009 N/A GLY 326.A N SER 344.A O no hydrogen 2.865 N/A SER 327.A N MET 615.A O no hydrogen 3.098 N/A THR 328.A N ALA 342.A O no hydrogen 3.025 N/A THR 328.A OG1 SER 614.A OG no hydrogen 3.036 N/A VAL 329.A N VAL 613.A O no hydrogen 2.853 N/A ALA 330.A N ALA 340.A O no hydrogen 3.165 N/A THR 331.A N MET 611.A O no hydrogen 2.710 N/A THR 331.A OG1 MET 611.A O no hydrogen 3.496 N/A THR 332.A N ASP 337.A O no hydrogen 2.999 N/A THR 332.A OG1 THR 332.A O no hydrogen 2.509 N/A THR 332.A OG1 THR 335.A OG1 no hydrogen 2.610 N/A LYS 334.A NZ ASN 607.A O no hydrogen 3.394 N/A THR 335.A N THR 332.A O no hydrogen 3.035 N/A THR 335.A OG1 THR 332.A O no hydrogen 3.355 N/A THR 335.A OG1 THR 332.A OG1 no hydrogen 2.610 N/A THR 335.A OG1 ASP 337.A OD1 no hydrogen 2.700 N/A GLY 336.A N THR 332.A O no hydrogen 2.794 N/A ASP 337.A N THR 335.A OG1 no hydrogen 3.392 N/A LEU 338.A N LYS 530.A O no hydrogen 2.835 N/A LEU 339.A N ALA 330.A O no hydrogen 2.600 N/A ALA 340.A N ALA 330.A O no hydrogen 3.275 N/A LEU 341.A N GLN 314.A OE1 no hydrogen 2.717 N/A ALA 342.A N THR 328.A O no hydrogen 3.058 N/A SER 343.A OG ILE 373.A O no hydrogen 3.085 N/A SER 344.A N GLY 326.A O no hydrogen 2.949 N/A SER 344.A OG LYS 324.A O no hydrogen 2.797 N/A SER 346.A OG GLU 231.A O no hydrogen 2.688 N/A SER 346.A OG TYR 347.A O no hydrogen 3.567 N/A ASP 348.A N TYR 364.A OH no hydrogen 3.157 N/A ASN 350.A N ASP 348.A OD1 no hydrogen 3.220 N/A ASN 350.A ND2 TYR 227.A O no hydrogen 3.102 N/A LYS 351.A NZ ASP 360.A OD2 no hydrogen 3.213 N/A MET 352.A N ASP 348.A O no hydrogen 2.931 N/A THR 353.A N PRO 349.A O no hydrogen 2.974 N/A THR 353.A OG1 VAL 240.A O no hydrogen 2.588 N/A ASN 354.A N ASN 350.A O no hydrogen 3.013 N/A GLU 359.A N SER 357.A OG no hydrogen 2.882 N/A ASP 360.A N SER 357.A OG no hydrogen 3.402 N/A TYR 361.A N SER 357.A O no hydrogen 2.934 N/A LYS 362.A N GLN 358.A O no hydrogen 3.135 N/A ALA 363.A N GLU 359.A O no hydrogen 3.009 N/A TYR 364.A N ASP 360.A O no hydrogen 3.352 N/A GLU 365.A N TYR 361.A O no hydrogen 3.037 N/A GLU 366.A N LYS 362.A O no hydrogen 2.770 N/A GLU 369.A N ASN 367.A OD1 no hydrogen 2.965 N/A GLN 370.A N ASN 367.A O no hydrogen 2.894 N/A GLN 370.A NE2 GLU 365.A O no hydrogen 3.102 N/A GLN 370.A NE2 ASN 367.A O no hydrogen 2.804 N/A ILE 373.A N GLN 370.A O no hydrogen 3.333 N/A ARG 375.A N SER 343.A OG no hydrogen 2.963 N/A ARG 375.A NE GLU 617.A OE1 no hydrogen 2.428 N/A ARG 375.A NH1 GLU 369.A O no hydrogen 3.091 N/A ARG 375.A NH1 GLN 370.A O no hydrogen 3.131 N/A ARG 375.A NH2 GLU 369.A O no hydrogen 2.461 N/A ARG 375.A NH2 GLU 617.A OE1 no hydrogen 2.969 N/A ALA 377.A N SER 374.A O no hydrogen 2.964 N/A THR 378.A N ARG 375.A O no hydrogen 3.127 N/A THR 378.A OG1 SER 374.A O no hydrogen 2.976 N/A TYR 380.A N ILE 508.A O no hydrogen 3.012 N/A GLY 383.A N GLY 502.A O no hydrogen 2.913 N/A PHE 386.A N GLY 383.A O no hydrogen 2.966 N/A LYS 387.A N SER 384.A O no hydrogen 3.025 N/A LYS 387.A NZ SER 384.A OG no hydrogen 3.419 N/A LYS 387.A NZ SER 443.A OG no hydrogen 2.721 N/A LYS 387.A NZ ASN 445.A OD1 no hydrogen 2.676 N/A MET 388.A N THR 385.A O no hydrogen 3.216 N/A ILE 389.A N PHE 386.A O no hydrogen 3.101 N/A THR 390.A N PHE 386.A O no hydrogen 3.193 N/A THR 390.A OG1 PHE 386.A O no hydrogen 3.568 N/A THR 390.A OG1 GLY 500.A O no hydrogen 2.618 N/A ALA 391.A N LYS 387.A O no hydrogen 2.821 N/A ALA 392.A N MET 388.A O no hydrogen 3.081 N/A ILE 393.A N ILE 389.A O no hydrogen 2.836 N/A GLY 394.A N THR 390.A O no hydrogen 2.969 N/A LEU 395.A N ALA 391.A O no hydrogen 2.835 N/A ASP 396.A N ALA 392.A O no hydrogen 3.116 N/A ASN 397.A N ILE 393.A O no hydrogen 3.213 N/A GLY 398.A N LEU 395.A O no hydrogen 3.208 N/A THR 399.A N GLY 394.A O no hydrogen 2.878 N/A THR 399.A N ASN 397.A OD1 no hydrogen 3.165 N/A THR 399.A OG1 ASN 397.A OD1 no hydrogen 2.868 N/A ILE 400.A N GLY 394.A O no hydrogen 3.010 N/A GLU 404.A N ASP 401.A O no hydrogen 3.075 N/A LEU 406.A N VAL 434.A O no hydrogen 2.697 N/A THR 407.A OG1 GLN 433.A OE1 no hydrogen 3.152 N/A ILE 408.A N SER 432.A O no hydrogen 2.789 N/A TRP 413.A N VAL 424.A O no hydrogen 3.026 N/A SER 418.A N ASP 416.A OD1 no hydrogen 2.734 N/A SER 418.A OG ASP 416.A OD1 no hydrogen 2.516 N/A TRP 419.A N ASP 416.A O no hydrogen 3.379 N/A GLY 420.A N SER 417.A O no hydrogen 3.096 N/A TYR 422.A N TRP 419.A O no hydrogen 3.176 N/A TYR 422.A OH ASP 498.A OD1 no hydrogen 2.552 N/A TYR 422.A OH TYR 501.A OH no hydrogen 3.124 N/A VAL 424.A N TRP 413.A O no hydrogen 2.746 N/A ARG 426.A N LEU 411.A O no hydrogen 3.051 N/A ARG 426.A NE GLY 410.A O no hydrogen 2.678 N/A ARG 426.A NH1 VAL 431.A O no hydrogen 3.015 N/A ARG 426.A NH1 ASP 444.A OD2 no hydrogen 2.965 N/A ARG 426.A NH2 ILE 408.A O no hydrogen 2.743 N/A ARG 426.A NH2 GLY 410.A O no hydrogen 2.852 N/A ARG 426.A NH2 VAL 431.A O no hydrogen 3.446 N/A ASP 430.A N SER 428.A OG no hydrogen 3.350 N/A VAL 434.A N LEU 406.A O no hydrogen 2.817 N/A THR 438.A N ASP 435.A OD1 no hydrogen 3.442 N/A THR 438.A OG1 ASP 435.A OD1 no hydrogen 2.717 N/A ALA 439.A N ASP 435.A O no hydrogen 2.838 N/A LEU 440.A N LEU 436.A O no hydrogen 2.971 N/A ILE 441.A N LYS 437.A O no hydrogen 3.040 N/A TYR 442.A N THR 438.A O no hydrogen 2.930 N/A ASP 444.A N ALA 439.A O no hydrogen 2.938 N/A TYR 447.A N ASP 444.A OD1 no hydrogen 2.997 N/A THR 448.A N ASP 444.A O no hydrogen 3.387 N/A THR 448.A OG1 ASP 444.A O no hydrogen 3.148 N/A ALA 449.A N ASN 445.A O no hydrogen 2.702 N/A GLN 450.A N ILE 446.A O no hydrogen 2.944 N/A GLU 451.A N TYR 447.A O no hydrogen 2.933 N/A THR 452.A N THR 448.A O no hydrogen 2.876 N/A THR 452.A OG1 THR 448.A O no hydrogen 2.766 N/A LEU 453.A N ALA 449.A O no hydrogen 3.037 N/A LYS 454.A N GLN 450.A O no hydrogen 2.889 N/A LYS 454.A NZ THR 399.A O no hydrogen 3.106 N/A MET 455.A N GLU 451.A O no hydrogen 3.078 N/A GLY 456.A N THR 452.A O no hydrogen 3.057 N/A PHE 460.A N GLY 456.A O no hydrogen 3.122 N/A ARG 461.A N GLU 457.A O no hydrogen 2.867 N/A ARG 461.A NE GLU 457.A OE2 no hydrogen 3.007 N/A ARG 461.A NH2 SER 485.A OG no hydrogen 3.134 N/A THR 462.A N LYS 458.A O no hydrogen 2.936 N/A THR 462.A OG1 LYS 458.A O no hydrogen 2.845 N/A GLY 463.A N LYS 459.A O no hydrogen 3.167 N/A LEU 464.A N PHE 460.A O no hydrogen 2.966 N/A ASP 465.A N ARG 461.A O no hydrogen 2.726 N/A LYS 466.A N GLY 463.A O no hydrogen 3.336 N/A PHE 467.A N LEU 464.A O no hydrogen 3.036 N/A GLY 470.A N ALA 482.A O no hydrogen 2.861 N/A GLU 471.A N ILE 468.A O no hydrogen 3.244 N/A LEU 475.A N LEU 473.A O no hydrogen 2.850 N/A GLN 483.A N LEU 507.A O no hydrogen 3.023 N/A GLN 483.A NE2 ASN 486.A OD1 no hydrogen 3.053 N/A GLN 483.A NE2 GLU 505.A O no hydrogen 3.088 N/A SER 485.A OG GLU 487.A O no hydrogen 2.602 N/A ASN 486.A N GLU 505.A OE1 no hydrogen 2.863 N/A PHE 490.A N GLU 457.A OE2 no hydrogen 2.754 N/A LEU 495.A N SER 492.A OG no hydrogen 3.057 N/A LEU 496.A N SER 492.A O no hydrogen 2.963 N/A ALA 497.A N ASP 493.A O no hydrogen 2.961 N/A ASP 498.A N ILE 494.A O no hydrogen 2.911 N/A THR 499.A N LEU 495.A O no hydrogen 2.943 N/A THR 499.A OG1 LEU 495.A O no hydrogen 2.762 N/A GLY 500.A N LEU 496.A O no hydrogen 3.211 N/A GLY 500.A N ALA 497.A O no hydrogen 2.854 N/A GLY 502.A N THR 499.A O no hydrogen 3.278 N/A GLN 503.A N ASP 498.A O no hydrogen 2.980 N/A LEU 506.A N GLN 503.A O no hydrogen 3.471 N/A LEU 507.A N GLN 483.A O no hydrogen 3.281 N/A ILE 508.A N TYR 380.A O no hydrogen 2.778 N/A ASN 509.A N GLN 512.A OE1 no hydrogen 3.031 N/A ILE 511.A N PHE 376.A O no hydrogen 3.458 N/A GLN 512.A N ASN 509.A OD1 no hydrogen 2.669 N/A GLN 512.A NE2 ASN 480.A O no hydrogen 2.938 N/A GLN 513.A N ASN 509.A O no hydrogen 2.880 N/A GLN 513.A NE2 ILE 508.A O no hydrogen 2.892 N/A ALA 514.A N PRO 510.A O no hydrogen 2.959 N/A ALA 515.A N ILE 511.A O no hydrogen 3.056 N/A MET 516.A N GLN 512.A O no hydrogen 2.953 N/A TYR 517.A N GLN 513.A O no hydrogen 2.896 N/A SER 518.A N ALA 515.A O no hydrogen 3.289 N/A SER 518.A OG ALA 515.A O no hydrogen 2.616 N/A PHE 520.A N TYR 517.A O no hydrogen 3.323 N/A ALA 521.A N SER 518.A O no hydrogen 3.002 N/A ASN 522.A N VAL 519.A O no hydrogen 3.239 N/A ASN 522.A ND2 PRO 333.A O no hydrogen 3.261 N/A ASN 522.A ND2 SER 518.A O no hydrogen 2.732 N/A GLY 524.A N VAL 519.A O no hydrogen 2.778 N/A THR 525.A N ASN 522.A O no hydrogen 3.136 N/A THR 525.A OG1 ASN 522.A O no hydrogen 3.510 N/A LEU 526.A N LYS 540.A O no hydrogen 2.876 N/A VAL 527.A N SER 518.A OG no hydrogen 3.048 N/A TYR 528.A N LYS 538.A O no hydrogen 3.005 N/A TYR 528.A OH GLU 471.A OE1 no hydrogen 2.611 N/A LYS 530.A N GLY 336.A O no hydrogen 2.627 N/A LYS 530.A NZ ASP 337.A OD1 no hydrogen 3.546 N/A LYS 530.A NZ LYS 535.A O no hydrogen 3.245 N/A LYS 530.A NZ THR 537.A OG1 no hydrogen 3.154 N/A ALA 533.A N LYS 306.A O no hydrogen 3.048 N/A LYS 535.A N ILE 532.A O no hydrogen 3.262 N/A LYS 535.A NZ ASP 474.A OD2 no hydrogen 3.412 N/A THR 537.A OG1 THR 335.A O no hydrogen 3.455 N/A LYS 540.A N LEU 526.A O no hydrogen 2.642 N/A LYS 540.A NZ LYS 466.A O no hydrogen 2.869 N/A VAL 543.A N GLY 524.A O no hydrogen 2.886 N/A ILE 544.A N GLY 524.A O no hydrogen 3.340 N/A GLY 545.A N ASP 396.A OD1 no hydrogen 3.286 N/A GLY 545.A N ASP 396.A OD2 no hydrogen 2.893 N/A VAL 549.A N GLY 545.A O no hydrogen 3.324 N/A GLN 550.A N GLU 546.A O no hydrogen 3.113 N/A THR 551.A N THR 547.A O no hydrogen 3.021 N/A THR 551.A N ALA 548.A O no hydrogen 3.165 N/A THR 551.A OG1 THR 547.A O no hydrogen 2.852 N/A ILE 552.A N ALA 548.A O no hydrogen 2.932 N/A VAL 553.A N VAL 549.A O no hydrogen 3.091 N/A LEU 556.A N ILE 552.A O no hydrogen 2.869 N/A ARG 557.A N VAL 553.A O no hydrogen 2.979 N/A ARG 557.A NH1 ASP 606.A OD1 no hydrogen 3.202 N/A ARG 557.A NH2 ASP 606.A OD1 no hydrogen 2.743 N/A VAL 559.A N ASP 555.A O no hydrogen 3.106 N/A VAL 560.A N ARG 557.A O no hydrogen 3.104 N/A GLN 561.A N ARG 557.A O no hydrogen 2.925 N/A ASP 562.A N GLU 558.A O no hydrogen 2.838 N/A ASN 564.A N ASP 562.A OD1 no hydrogen 2.654 N/A GLY 565.A N ASP 562.A O no hydrogen 2.967 N/A THR 566.A OG1 THR 581.A OG1 no hydrogen 2.704 N/A ALA 567.A N VAL 559.A O no hydrogen 3.129 N/A HIS 568.A N GLY 565.A O no hydrogen 3.104 N/A HIS 568.A ND1 VAL 560.A O no hydrogen 3.078 N/A LEU 570.A N ALA 567.A O no hydrogen 3.000 N/A SER 571.A N HIS 568.A O no hydrogen 3.020 N/A SER 571.A OG HIS 568.A ND1 no hydrogen 3.298 N/A SER 571.A OG HIS 568.A O no hydrogen 2.919 N/A LEU 573.A N LEU 570.A O no hydrogen 3.252 N/A GLY 574.A N SER 571.A O no hydrogen 3.124 N/A ALA 578.A N PHE 603.A O no hydrogen 3.107 N/A ALA 579.A N LEU 556.A O no hydrogen 3.171 N/A LYS 580.A N PHE 601.A O no hydrogen 2.974 N/A LYS 580.A NZ SER 443.A OG no hydrogen 2.926 N/A LYS 580.A NZ THR 581.A O no hydrogen 2.956 N/A THR 581.A OG1 THR 566.A OG1 no hydrogen 2.704 N/A GLY 582.A N PHE 599.A O no hydrogen 3.301 N/A ALA 584.A N ASN 597.A O no hydrogen 2.823 N/A GLU 585.A N GLN 503.A OE1 no hydrogen 3.338 N/A ILE 586.A N LYS 595.A O no hydrogen 2.775 N/A LYS 587.A NZ GLU 588.A O no hydrogen 3.405 N/A LYS 587.A NZ ASP 591.A O no hydrogen 3.334 N/A GLN 590.A NE2 GLU 588.A OE1 no hydrogen 2.968 N/A ASP 591.A N GLU 588.A O no hydrogen 3.369 N/A LYS 595.A N ILE 586.A O no hydrogen 2.734 N/A ASN 597.A N ALA 584.A O no hydrogen 2.789 N/A SER 598.A N LEU 616.A O no hydrogen 2.942 N/A PHE 599.A N GLY 582.A O no hydrogen 2.816 N/A LEU 600.A N SER 614.A O no hydrogen 2.901 N/A PHE 601.A N LYS 580.A O no hydrogen 2.990 N/A ALA 602.A N MET 612.A O no hydrogen 3.083 N/A PHE 603.A N ALA 578.A O no hydrogen 3.108 N/A ASN 604.A N TYR 610.A O no hydrogen 3.475 N/A ASP 606.A N ASN 604.A OD1 no hydrogen 2.774 N/A ASN 607.A N ASN 604.A OD1 no hydrogen 3.239 N/A GLN 608.A N ASN 604.A O no hydrogen 3.038 N/A GLY 609.A N ASN 607.A OD1 no hydrogen 2.702 N/A MET 611.A N THR 331.A O no hydrogen 2.895 N/A MET 612.A N ALA 602.A O no hydrogen 2.764 N/A VAL 613.A N VAL 329.A O no hydrogen 2.756 N/A SER 614.A N LEU 600.A O no hydrogen 2.949 N/A SER 614.A OG THR 328.A OG1 no hydrogen 3.036 N/A MET 615.A N SER 327.A O no hydrogen 2.878 N/A LEU 616.A N SER 598.A O no hydrogen 2.827 N/A GLU 617.A N ALA 325.A O no hydrogen 2.877 N/A ASN 618.A N ASN 597.A OD1 no hydrogen 2.867 N/A LYS 619.A N GLU 596.A O no hydrogen 2.783 N/A LYS 619.A NZ GLU 596.A OE1 no hydrogen 3.449 N/A LYS 619.A NZ GLU 620.A O no hydrogen 3.279 N/A LYS 619.A NZ ASP 623.A O no hydrogen 3.289 N/A ALA 625.A N SER 598.A OG no hydrogen 2.878 N/A LYS 627.A N SER 624.A OG no hydrogen 3.158 N/A LYS 627.A NZ ASP 622.A O no hydrogen 2.702 N/A ARG 628.A N ALA 625.A O no hydrogen 3.122 N/A ARG 628.A NE ASP 623.A OD1 no hydrogen 3.050 N/A ARG 628.A NH1 SER 320.A O no hydrogen 3.127 N/A ARG 628.A NH2 ASP 623.A OD1 no hydrogen 3.317 N/A ARG 628.A NH2 ASP 623.A OD2 no hydrogen 2.979 N/A ALA 629.A N THR 626.A O no hydrogen 3.440 N/A LEU 633.A N ALA 629.A O no hydrogen 2.933 N/A GLN 634.A N SER 630.A O no hydrogen 2.884 N/A TYR 635.A N GLU 631.A O no hydrogen 3.194 N/A TYR 635.A OH ASP 310.A OD1 no hydrogen 3.114 N/A TYR 635.A OH ASP 310.A OD2 no hydrogen 2.632 N/A LEU 636.A N LEU 632.A O no hydrogen 2.908 N/A ASN 637.A N LEU 633.A O no hydrogen 2.949 N/A GLN 638.A N GLN 634.A O no hydrogen 3.125 N/A ASN 639.A N TYR 635.A O no hydrogen 3.076 N/A TYR 640.A N LEU 636.A O no hydrogen 2.955 N/A TYR 640.A OH ASP 310.A OD2 no hydrogen 2.365 N/A GLN 641.A NE2 GLN 638.A O no hydrogen 3.343 N/A