Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pzi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N ILE 12.A O no hydrogen 2.668 N/A LEU 5.A N VAL 10.A O no hydrogen 2.750 N/A LEU 9.A N GLY 6.A O no hydrogen 3.302 N/A VAL 10.A N LEU 5.A O no hydrogen 2.908 N/A ILE 12.A N HIS 3.A O no hydrogen 3.035 N/A ARG 14.A N GLY 1.A O no hydrogen 3.378 N/A ARG 14.A NH1 GLU 208.A O no hydrogen 2.736 N/A ARG 14.A NH1 GLU 209.A O no hydrogen 3.083 N/A ARG 14.A NH2 SER 2.A O no hydrogen 3.400 N/A ILE 18.A N GLY 162.A O no hydrogen 2.812 N/A ALA 23.A N ASP 19.A O no hydrogen 2.961 N/A LEU 24.A N PRO 20.A O no hydrogen 3.273 N/A LEU 24.A N LEU 21.A O no hydrogen 3.402 N/A MET 25.A N CYS 82.A O no hydrogen 2.764 N/A LYS 34.A N PRO 31.A O no hydrogen 2.820 N/A ARG 35.A N GLU 32.A O no hydrogen 2.949 N/A ARG 35.A NE VAL 30.A O no hydrogen 3.429 N/A ARG 35.A NH1 GLY 45.A O no hydrogen 3.109 N/A CYS 37.A N ARG 42.A O no hydrogen 2.736 N/A TRP 38.A NE1 PRO 60.A O no hydrogen 2.939 N/A GLY 41.A N CYS 37.A O no hydrogen 2.794 N/A VAL 44.A N ARG 35.A O no hydrogen 3.272 N/A SER 47.A N GLU 32.A OE1 no hydrogen 3.274 N/A SER 47.A OG GLU 32.A OE1 no hydrogen 3.094 N/A SER 47.A OG GLU 32.A OE2 no hydrogen 3.372 N/A GLY 52.A N TYR 61.A O no hydrogen 3.218 N/A CYS 54.A N SER 59.A O no hydrogen 2.827 N/A CYS 57.A SG SER 59.A OG no hydrogen 3.490 N/A GLY 58.A N CYS 54.A O no hydrogen 2.840 N/A TYR 61.A N GLY 52.A O no hydrogen 3.009 N/A TYR 61.A OH ALA 49.A O no hydrogen 3.368 N/A SER 62.A OG GLU 51.A OE2 no hydrogen 2.537 N/A PHE 63.A N SER 50.A O no hydrogen 2.841 N/A GLN 66.A N TYR 92.A OH no hydrogen 2.650 N/A GLN 66.A NE2 LEU 64.A O no hydrogen 3.092 N/A ASN 68.A N ASP 71.A OD2 no hydrogen 2.726 N/A GLY 70.A N VAL 79.A O no hydrogen 2.883 N/A ASP 71.A N ASN 68.A O no hydrogen 2.923 N/A VAL 73.A N TYR 77.A O no hydrogen 2.856 N/A GLN 76.A N VAL 73.A O no hydrogen 2.801 N/A GLN 76.A NE2 ASP 96.A OD1 no hydrogen 2.961 N/A TYR 77.A N VAL 73.A O no hydrogen 2.982 N/A GLU 78.A N LEU 95.A O no hydrogen 2.938 N/A VAL 79.A N ASP 71.A O no hydrogen 2.837 N/A LYS 80.A N LEU 93.A O no hydrogen 2.929 N/A ILE 83.A N ILE 91.A O no hydrogen 2.938 N/A GLY 86.A N GLY 89.A O no hydrogen 2.916 N/A GLY 89.A N GLY 86.A O no hydrogen 2.917 N/A TRP 90.A NE1 PHE 63.A O no hydrogen 2.957 N/A ILE 91.A N ALA 84.A O no hydrogen 2.654 N/A TYR 92.A N LEU 106.A O no hydrogen 3.024 N/A LEU 93.A N GLY 81.A O no hydrogen 2.806 N/A ALA 94.A N VAL 104.A O no hydrogen 2.866 N/A LEU 95.A N GLU 78.A O no hydrogen 2.753 N/A ASP 96.A N ARG 102.A O no hydrogen 2.731 N/A ARG 97.A N GLN 76.A O no hydrogen 2.967 N/A ASN 98.A N ASP 96.A OD1 no hydrogen 2.987 N/A VAL 99.A N ASP 96.A O no hydrogen 3.395 N/A ARG 102.A N VAL 99.A O no hydrogen 3.021 N/A ARG 102.A NE ASP 96.A OD2 no hydrogen 3.124 N/A ARG 102.A NH2 ASP 96.A OD2 no hydrogen 3.424 N/A VAL 104.A N ALA 94.A O no hydrogen 2.789 N/A VAL 105.A N MET 158.A O no hydrogen 2.808 N/A LEU 106.A N TYR 92.A O no hydrogen 2.897 N/A LYS 107.A N ILE 156.A O no hydrogen 3.095 N/A LYS 107.A NZ ASP 215.A OD2 no hydrogen 2.668 N/A LEU 109.A N GLY 154.A O no hydrogen 3.186 N/A HIS 111.A NE2 GLY 87.A O no hydrogen 2.622 N/A ALA 117.A N ASP 114.A OD1 no hydrogen 3.477 N/A GLN 118.A N ASP 114.A O no hydrogen 2.965 N/A GLN 118.A NE2 GLY 113.A O no hydrogen 3.114 N/A ALA 119.A N ALA 115.A O no hydrogen 3.011 N/A MET 120.A N GLU 116.A O no hydrogen 2.711 N/A ALA 121.A N ALA 117.A O no hydrogen 3.032 N/A MET 122.A N GLN 118.A O no hydrogen 3.324 N/A ALA 123.A N ALA 119.A O no hydrogen 2.862 N/A GLU 124.A N MET 120.A O no hydrogen 2.821 N/A ARG 125.A N MET 122.A O no hydrogen 3.176 N/A ARG 125.A NE ALA 121.A O no hydrogen 3.235 N/A ARG 125.A NH1 GLY 217.A O no hydrogen 2.591 N/A GLN 126.A N ALA 123.A O no hydrogen 3.463 N/A LEU 128.A N ARG 125.A O no hydrogen 2.927 N/A ALA 129.A N GLN 126.A O no hydrogen 3.225 N/A GLU 130.A N PHE 127.A O no hydrogen 3.169 N/A VAL 131.A N LEU 128.A O no hydrogen 3.031 N/A VAL 132.A N TYR 188.A OH no hydrogen 3.273 N/A SER 135.A N HIS 133.A ND1 no hydrogen 2.951 N/A SER 135.A OG LEU 211.A O no hydrogen 3.518 N/A ILE 136.A N HIS 133.A O no hydrogen 3.159 N/A VAL 137.A N LEU 213.A O no hydrogen 2.983 N/A GLN 138.A N GLU 159.A OE1 no hydrogen 3.097 N/A PHE 140.A N VAL 157.A O no hydrogen 2.718 N/A ASN 141.A ND2 TYR 77.A OH no hydrogen 2.928 N/A PHE 142.A N ASN 141.A OD1 no hydrogen 2.895 N/A VAL 143.A N TYR 155.A O no hydrogen 2.985 N/A HIS 145.A N VAL 153.A O no hydrogen 2.692 N/A ASP 147.A N ASP 151.A O no hydrogen 2.731 N/A ASP 151.A N ASP 147.A OD1 no hydrogen 2.806 N/A VAL 153.A N HIS 145.A O no hydrogen 2.582 N/A GLY 154.A N GLN 118.A OE1 no hydrogen 3.062 N/A TYR 155.A N VAL 143.A O no hydrogen 2.733 N/A ILE 156.A N LYS 107.A O no hydrogen 2.862 N/A VAL 157.A N ASN 141.A O no hydrogen 2.982 N/A MET 158.A N VAL 105.A O no hydrogen 2.706 N/A GLU 159.A N GLN 138.A O no hydrogen 2.914 N/A TYR 160.A OH ILE 18.A O no hydrogen 2.801 N/A GLN 164.A N LEU 206.A O no hydrogen 2.837 N/A GLN 164.A NE2 SER 165.A O no hydrogen 3.692 N/A LEU 166.A N ILE 204.A O no hydrogen 2.881 N/A LYS 167.A N SER 165.A OG no hydrogen 3.122 N/A LYS 169.A NZ GLN 168.A O no hydrogen 3.447 N/A LYS 169.A NZ GLN 168.A OE1 no hydrogen 3.397 N/A LYS 169.A NZ ALA 259.A O no hydrogen 3.403 N/A LEU 170.A N LEU 260.A O no hydrogen 2.878 N/A ALA 175.A N PRO 171.A O no hydrogen 3.186 N/A ILE 176.A N VAL 172.A O no hydrogen 2.974 N/A ALA 177.A N ALA 173.A O no hydrogen 2.946 N/A TYR 178.A N GLU 174.A O no hydrogen 3.056 N/A LEU 179.A N ALA 175.A O no hydrogen 3.044 N/A LEU 180.A N ILE 176.A O no hydrogen 2.818 N/A GLU 181.A N ALA 177.A O no hydrogen 3.227 N/A GLU 181.A N TYR 178.A O no hydrogen 3.103 N/A ILE 182.A N LEU 179.A O no hydrogen 3.077 N/A LEU 183.A N LEU 179.A O no hydrogen 3.065 N/A LEU 186.A N ILE 182.A O no hydrogen 3.066 N/A SER 187.A N LEU 183.A O no hydrogen 2.814 N/A SER 187.A OG LEU 183.A O no hydrogen 3.281 N/A TYR 188.A N PRO 184.A O no hydrogen 2.861 N/A LEU 189.A N ALA 185.A O no hydrogen 2.938 N/A HIS 190.A N LEU 186.A O no hydrogen 2.812 N/A HIS 190.A NE2 ASP 249.A OD2 no hydrogen 2.929 N/A SER 191.A N SER 187.A O no hydrogen 2.969 N/A SER 191.A OG TYR 188.A O no hydrogen 2.727 N/A ILE 192.A N TYR 188.A O no hydrogen 3.340 N/A ILE 192.A N LEU 189.A O no hydrogen 3.090 N/A GLY 193.A N HIS 190.A O no hydrogen 2.904 N/A LEU 194.A N LEU 189.A O no hydrogen 3.055 N/A VAL 195.A N SER 220.A O no hydrogen 2.793 N/A TYR 196.A N ASP 249.A OD2 no hydrogen 2.814 N/A TYR 196.A OH ASP 215.A O no hydrogen 2.672 N/A ASN 197.A N ASP 249.A OD1 no hydrogen 2.888 N/A ASN 197.A ND2 ALA 218.A O no hydrogen 2.914 N/A ASN 197.A ND2 SER 220.A OG no hydrogen 2.898 N/A ASP 198.A N TYR 196.A O no hydrogen 2.877 N/A LYS 200.A NZ GLU 202.A OE1 no hydrogen 3.392 N/A ASN 203.A N LYS 200.A O no hydrogen 2.750 N/A ASN 203.A ND2 ASP 198.A O no hydrogen 2.559 N/A ASN 203.A ND2 ASP 198.A OD2 no hydrogen 3.442 N/A ILE 204.A N PRO 201.A O no hydrogen 3.061 N/A MET 205.A N LYS 212.A O no hydrogen 2.933 N/A LEU 206.A N GLN 164.A O no hydrogen 2.797 N/A THR 207.A N GLN 210.A O no hydrogen 2.764 N/A THR 207.A OG1 GLN 210.A O no hydrogen 2.978 N/A GLU 208.A N ASP 17.A OD1 no hydrogen 2.861 N/A GLU 209.A N THR 207.A OG1 no hydrogen 3.198 N/A GLN 210.A N THR 207.A OG1 no hydrogen 3.083 N/A GLN 210.A NE2 PRO 134.A O no hydrogen 3.264 N/A LYS 212.A N MET 205.A O no hydrogen 2.942 N/A LYS 212.A NZ GLU 159.A OE2 no hydrogen 3.460 N/A LEU 213.A N SER 135.A O no hydrogen 2.793 N/A ILE 214.A N ASN 203.A O no hydrogen 3.008 N/A GLY 217.A N ASP 215.A OD1 no hydrogen 2.707 N/A VAL 219.A N LEU 216.A O no hydrogen 3.056 N/A SER 220.A N VAL 195.A O no hydrogen 3.161 N/A SER 220.A OG ARG 221.A O no hydrogen 3.435 N/A SER 220.A OG SER 224.A OG no hydrogen 3.218 N/A ILE 222.A N GLY 193.A O no hydrogen 3.101 N/A ASN 223.A N PRO 244.A O no hydrogen 2.903 N/A ASN 223.A ND2 THR 242.A O no hydrogen 3.515 N/A SER 224.A N ARG 221.A O no hydrogen 3.197 N/A SER 224.A OG SER 220.A OG no hydrogen 3.218 N/A SER 224.A OG ARG 221.A O no hydrogen 3.012 N/A PHE 234.A N THR 231.A O no hydrogen 2.952 N/A GLN 235.A N THR 231.A O no hydrogen 3.044 N/A GLU 238.A N GLU 238.A OE1 no hydrogen 2.668 N/A ILE 239.A N ALA 236.A O no hydrogen 3.271 N/A THR 242.A N GLU 238.A O no hydrogen 2.875 N/A THR 242.A OG1 GLU 238.A O no hydrogen 3.208 N/A THR 242.A OG1 GLY 243.A O no hydrogen 2.776 N/A GLY 243.A N ILE 239.A O no hydrogen 2.814 N/A THR 245.A N THR 248.A OG1 no hydrogen 2.852 N/A THR 248.A N THR 245.A OG1 no hydrogen 2.910 N/A THR 248.A OG1 THR 245.A O no hydrogen 2.784 N/A ASP 249.A N THR 245.A O no hydrogen 3.256 N/A ILE 250.A N VAL 246.A O no hydrogen 2.933 N/A TYR 251.A N ALA 247.A O no hydrogen 3.225 N/A THR 252.A OG1 ASP 249.A O no hydrogen 2.656 N/A VAL 253.A N ASP 249.A O no hydrogen 3.254 N/A VAL 253.A N ILE 250.A O no hydrogen 3.213 N/A GLY 254.A N ILE 250.A O no hydrogen 3.239 N/A ARG 255.A N TYR 251.A O no hydrogen 2.919 N/A ARG 255.A NE GLY 233.A O no hydrogen 2.847 N/A ARG 255.A NH1 GLY 274.A O no hydrogen 3.171 N/A ARG 255.A NH2 GLY 233.A O no hydrogen 2.923 N/A ARG 255.A NH2 VAL 272.A O no hydrogen 2.854 N/A THR 256.A N THR 252.A O no hydrogen 2.797 N/A THR 256.A OG1 THR 252.A O no hydrogen 2.710 N/A LEU 257.A N VAL 253.A O no hydrogen 2.848 N/A ALA 258.A N GLY 254.A O no hydrogen 2.960 N/A ALA 259.A N ARG 255.A O no hydrogen 2.815 N/A LEU 260.A N THR 256.A O no hydrogen 3.004 N/A THR 261.A N ALA 258.A O no hydrogen 3.169 N/A THR 261.A OG1 LEU 257.A O no hydrogen 2.554 N/A THR 261.A OG1 TYR 288.A OH no hydrogen 2.662 N/A LEU 262.A N ALA 258.A O no hydrogen 2.923 N/A ARG 267.A N ARG 270.A O no hydrogen 2.903 N/A ARG 270.A NH2 ASN 39.A O no hydrogen 3.070 N/A VAL 272.A N PRO 265.A O no hydrogen 3.038 N/A VAL 281.A N ASP 279.A OD1 no hydrogen 2.821 N/A LYS 283.A N ASP 279.A O no hydrogen 3.071 N/A THR 284.A N PRO 280.A O no hydrogen 3.081 N/A TYR 285.A N VAL 281.A O no hydrogen 3.039 N/A TYR 285.A OH ASP 325.A OD2 no hydrogen 2.932 N/A SER 287.A OG GLU 320.A OE1 no hydrogen 2.742 N/A TYR 288.A OH THR 261.A OG1 no hydrogen 2.662 N/A GLY 289.A N TYR 285.A O no hydrogen 3.328 N/A ARG 290.A N ASP 286.A O no hydrogen 3.303 N/A ARG 290.A NE ASP 286.A OD2 no hydrogen 2.786 N/A ARG 290.A NH1 ASP 479.A OD1 no hydrogen 2.631 N/A ARG 290.A NH2 ASP 286.A OD1 no hydrogen 3.524 N/A ARG 290.A NH2 ASP 286.A OD2 no hydrogen 3.448 N/A LEU 291.A N SER 287.A O no hydrogen 2.926 N/A LEU 292.A N TYR 288.A O no hydrogen 3.094 N/A ARG 293.A N GLY 289.A O no hydrogen 3.112 N/A ARG 294.A N ARG 290.A O no hydrogen 3.226 N/A ARG 294.A NE THR 480.A O no hydrogen 2.953 N/A ARG 294.A NH1 GLN 302.A O no hydrogen 3.271 N/A ARG 294.A NH2 THR 480.A O no hydrogen 2.899 N/A ALA 295.A N LEU 291.A O no hydrogen 3.142 N/A ILE 296.A N LEU 292.A O no hydrogen 3.093 N/A ASP 297.A N ARG 294.A O no hydrogen 3.221 N/A ASP 299.A N ASP 297.A OD1 no hydrogen 3.086 N/A ARG 301.A N ASP 299.A OD1 no hydrogen 3.179 N/A ARG 301.A NE ASP 299.A OD1 no hydrogen 3.111 N/A ARG 301.A NE ASP 299.A OD2 no hydrogen 3.437 N/A ARG 301.A NH2 ASP 299.A OD2 no hydrogen 3.382 N/A GLN 302.A N ASP 299.A O no hydrogen 3.019 N/A ARG 303.A N PRO 300.A O no hydrogen 3.463 N/A ARG 303.A NE ASP 297.A O no hydrogen 2.652 N/A ARG 303.A NH1 GLU 238.A OE2 no hydrogen 2.782 N/A ARG 303.A NH1 ALA 247.A O no hydrogen 3.154 N/A ARG 303.A NH2 GLU 238.A OE1 no hydrogen 2.983 N/A ARG 303.A NH2 GLU 238.A OE2 no hydrogen 3.506 N/A ARG 303.A NH2 ASP 297.A O no hydrogen 2.842 N/A THR 305.A N GLU 309.A OE2 no hydrogen 3.405 N/A GLU 309.A N THR 306.A OG1 no hydrogen 2.947 N/A MET 310.A N THR 306.A O no hydrogen 3.044 N/A SER 311.A N ALA 307.A O no hydrogen 2.820 N/A ALA 312.A N GLU 308.A O no hydrogen 3.067 N/A GLN 313.A N GLU 309.A O no hydrogen 3.386 N/A GLN 313.A NE2 GLU 484.A OE2 no hydrogen 3.161 N/A LEU 314.A N MET 310.A O no hydrogen 2.867 N/A THR 315.A N SER 311.A O no hydrogen 2.936 N/A THR 315.A OG1 SER 311.A O no hydrogen 2.944 N/A GLY 316.A N ALA 312.A O no hydrogen 3.213 N/A VAL 317.A N GLN 313.A O no hydrogen 2.997 N/A LEU 318.A N LEU 314.A O no hydrogen 2.778 N/A ARG 319.A N THR 315.A O no hydrogen 2.876 N/A GLU 320.A N GLY 316.A O no hydrogen 3.085 N/A VAL 321.A N VAL 317.A O no hydrogen 2.836 N/A VAL 322.A N LEU 318.A O no hydrogen 2.813 N/A ALA 323.A N ARG 319.A O no hydrogen 2.970 N/A GLN 324.A N GLU 320.A O no hydrogen 3.103 N/A GLN 324.A NE2 THR 284.A O no hydrogen 3.376 N/A ASP 325.A N VAL 321.A O no hydrogen 2.987 N/A THR 326.A N VAL 322.A O no hydrogen 2.836 N/A THR 326.A OG1 VAL 322.A O no hydrogen 2.761 N/A GLY 327.A N ALA 323.A O no hydrogen 2.921 N/A VAL 328.A N THR 326.A OG1 no hydrogen 3.310 N/A ARG 330.A NH1 THR 326.A OG1 no hydrogen 3.167 N/A SER 334.A OG PHE 337.A O no hydrogen 3.252 N/A SER 334.A OG GLU 484.A OE1 no hydrogen 2.627 N/A ILE 336.A N SER 334.A OG no hydrogen 2.784 N/A PHE 337.A N SER 334.A OG no hydrogen 2.647 N/A SER 338.A N VAL 377.A O no hydrogen 2.651 N/A SER 338.A OG PRO 339.A O no hydrogen 2.823 N/A ARG 341.A N ALA 374.A O no hydrogen 3.008 N/A ARG 341.A NE LEU 375.A O no hydrogen 2.805 N/A ARG 341.A NH1 ASP 429.A OD2 no hydrogen 2.927 N/A ARG 341.A NH2 VAL 372.A O no hydrogen 2.875 N/A ARG 341.A NH2 ASP 429.A OD1 no hydrogen 3.076 N/A SER 342.A N ALA 374.A O no hydrogen 3.387 N/A PHE 344.A N SER 519.A OG no hydrogen 2.887 N/A GLY 345.A N GLU 370.A OE1 no hydrogen 2.895 N/A ALA 351.A N ASP 347.A O no hydrogen 2.914 N/A HIS 352.A NE2 GLU 364.A O no hydrogen 3.037 N/A THR 353.A N VAL 350.A O no hydrogen 2.994 N/A THR 353.A OG1 VAL 350.A O no hydrogen 2.419 N/A ASP 354.A N ALA 351.A O no hydrogen 2.920 N/A TYR 356.A N THR 353.A O no hydrogen 3.186 N/A LEU 357.A N ASP 354.A O no hydrogen 2.923 N/A ASP 358.A N ASP 354.A O no hydrogen 3.211 N/A GLY 359.A N VAL 355.A O no hydrogen 2.923 N/A GLN 360.A N ASP 358.A OD1 no hydrogen 2.765 N/A HIS 362.A ND1 GLU 364.A OE2 no hydrogen 2.616 N/A HIS 362.A NE2 ASP 358.A OD1 no hydrogen 3.135 N/A HIS 362.A NE2 ASP 358.A OD2 no hydrogen 2.965 N/A GLU 364.A N GLU 364.A OE1 no hydrogen 2.750 N/A GLU 370.A N THR 367.A OG1 no hydrogen 3.380 N/A ILE 371.A N THR 367.A O no hydrogen 3.381 N/A VAL 372.A N ALA 368.A O no hydrogen 2.902 N/A THR 373.A N ASN 369.A O no hydrogen 3.375 N/A THR 373.A OG1 ASN 369.A O no hydrogen 3.291 N/A THR 373.A OG1 GLU 370.A O no hydrogen 3.312 N/A ALA 374.A N ILE 371.A O no hydrogen 3.104 N/A LEU 375.A N ILE 371.A O no hydrogen 3.005 N/A SER 376.A OG SER 338.A O no hydrogen 2.949 N/A VAL 377.A N SER 338.A OG no hydrogen 2.951 N/A LEU 379.A N ILE 336.A O no hydrogen 2.825 N/A ASP 381.A N GLU 418.A OE2 no hydrogen 3.019 N/A THR 383.A N ASP 381.A OD1 no hydrogen 3.001 N/A THR 383.A OG1 ASP 381.A OD1 no hydrogen 2.717 N/A ASP 384.A N ASP 381.A O no hydrogen 2.964 N/A ALA 386.A N ASP 384.A OD1 no hydrogen 2.970 N/A ALA 387.A N ASP 384.A O no hydrogen 3.282 N/A LEU 390.A N ALA 386.A O no hydrogen 2.921 N/A GLN 391.A N ALA 387.A O no hydrogen 2.974 N/A ALA 392.A N SER 388.A O no hydrogen 3.080 N/A THR 393.A N LEU 390.A O no hydrogen 3.342 N/A VAL 394.A N GLN 391.A O no hydrogen 3.437 N/A SER 396.A N THR 393.A O no hydrogen 3.041 N/A GLN 400.A NE2 GLN 400.A O no hydrogen 2.835 N/A GLN 400.A NE2 SER 404.A OG no hydrogen 3.191 N/A THR 401.A N GLN 397.A O no hydrogen 2.823 N/A THR 401.A OG1 GLN 397.A O no hydrogen 2.789 N/A LEU 402.A N PRO 398.A O no hydrogen 2.955 N/A ASP 403.A N VAL 399.A O no hydrogen 2.943 N/A SER 404.A N GLN 400.A O no hydrogen 2.932 N/A SER 404.A OG GLN 400.A O no hydrogen 3.138 N/A LEU 405.A N THR 401.A O no hydrogen 2.947 N/A ARG 406.A N LEU 402.A O no hydrogen 2.942 N/A ALA 407.A N ASP 403.A O no hydrogen 3.002 N/A ALA 408.A N SER 404.A O no hydrogen 2.882 N/A ARG 409.A N LEU 405.A O no hydrogen 2.790 N/A ARG 409.A NE GLU 423.A OE2 no hydrogen 2.967 N/A ARG 409.A NH2 GLU 423.A OE2 no hydrogen 3.263 N/A HIS 410.A N ARG 406.A O no hydrogen 3.003 N/A HIS 410.A N ALA 407.A O no hydrogen 3.005 N/A SER 414.A N ASP 412.A OD1 no hydrogen 3.159 N/A SER 414.A OG ASP 412.A OD1 no hydrogen 2.945 N/A SER 416.A N PHE 413.A O no hydrogen 2.940 N/A SER 416.A OG ASP 384.A OD1 no hydrogen 2.746 N/A VAL 417.A N ASP 384.A OD2 no hydrogen 3.174 N/A GLU 418.A N ASP 384.A OD2 no hydrogen 3.119 N/A LEU 419.A N SER 416.A OG no hydrogen 3.010 N/A LEU 421.A N VAL 417.A O no hydrogen 3.148 N/A MET 422.A N GLU 418.A O no hydrogen 2.848 N/A GLU 423.A N LEU 419.A O no hydrogen 3.120 N/A VAL 424.A N PRO 420.A O no hydrogen 2.999 N/A ARG 425.A N LEU 421.A O no hydrogen 2.969 N/A ARG 425.A NE TYR 456.A OH no hydrogen 3.040 N/A ARG 425.A NH2 TYR 456.A OH no hydrogen 3.434 N/A ALA 426.A N MET 422.A O no hydrogen 3.105 N/A LEU 427.A N GLU 423.A O no hydrogen 2.857 N/A LEU 428.A N VAL 424.A O no hydrogen 2.914 N/A ASP 429.A N ARG 425.A O no hydrogen 2.998 N/A LEU 430.A N ALA 426.A O no hydrogen 3.126 N/A LEU 430.A N LEU 427.A O no hydrogen 3.157 N/A GLY 431.A N LEU 428.A O no hydrogen 3.130 N/A ASP 432.A N LEU 427.A O no hydrogen 2.883 N/A VAL 433.A N GLY 431.A O no hydrogen 2.773 N/A ALA 436.A N ASP 432.A O no hydrogen 3.062 N/A THR 437.A N VAL 433.A O no hydrogen 2.836 N/A THR 437.A OG1 VAL 433.A O no hydrogen 2.670 N/A THR 437.A OG1 ALA 434.A O no hydrogen 3.192 N/A ARG 438.A N ALA 434.A O no hydrogen 3.085 N/A LYS 439.A N LYS 435.A O no hydrogen 3.025 N/A LEU 440.A N ALA 436.A O no hydrogen 2.880 N/A ASP 441.A N THR 437.A O no hydrogen 2.821 N/A ASP 442.A N ARG 438.A O no hydrogen 2.938 N/A LEU 443.A N LYS 439.A O no hydrogen 3.055 N/A ALA 444.A N LEU 440.A O no hydrogen 2.711 N/A GLU 445.A N ASP 442.A O no hydrogen 2.955 N/A ARG 446.A N ASP 442.A O no hydrogen 3.269 N/A ARG 446.A N LEU 443.A O no hydrogen 3.044 N/A ARG 446.A NH1 GLU 415.A O no hydrogen 3.060 N/A ARG 446.A NH2 GLU 415.A O no hydrogen 3.421 N/A ARG 446.A NH2 SER 416.A O no hydrogen 3.142 N/A VAL 447.A N LEU 443.A O no hydrogen 2.886 N/A GLY 448.A N ALA 444.A O no hydrogen 2.898 N/A ARG 452.A NE LEU 379.A O no hydrogen 3.427 N/A ARG 452.A NH2 LEU 379.A O no hydrogen 2.858 N/A VAL 454.A N ARG 450.A O no hydrogen 3.174 N/A TRP 455.A N TRP 451.A O no hydrogen 2.838 N/A TYR 456.A N ARG 452.A O no hydrogen 3.046 N/A ARG 457.A N LEU 453.A O no hydrogen 2.872 N/A ALA 458.A N VAL 454.A O no hydrogen 2.981 N/A VAL 459.A N TRP 455.A O no hydrogen 3.014 N/A ALA 460.A N TYR 456.A O no hydrogen 3.069 N/A GLU 461.A N ARG 457.A O no hydrogen 2.874 N/A LEU 462.A N ALA 458.A O no hydrogen 3.042 N/A LEU 463.A N VAL 459.A O no hydrogen 3.341 N/A THR 464.A N ALA 460.A O no hydrogen 2.946 N/A GLY 465.A N LEU 462.A O no hydrogen 3.225 N/A ASP 466.A N GLU 461.A O no hydrogen 2.964 N/A SER 469.A N ASP 466.A OD1 no hydrogen 3.454 N/A SER 469.A OG ASP 466.A OD1 no hydrogen 2.994 N/A SER 469.A OG ASP 466.A OD2 no hydrogen 2.580 N/A ALA 470.A N ASP 466.A O no hydrogen 3.327 N/A THR 471.A N TYR 467.A O no hydrogen 2.955 N/A THR 471.A OG1 TYR 467.A O no hydrogen 3.145 N/A LYS 472.A N ASP 468.A O no hydrogen 2.967 N/A HIS 473.A N SER 469.A O no hydrogen 2.806 N/A HIS 473.A ND1 GLU 461.A OE1 no hydrogen 2.618 N/A PHE 474.A N ALA 470.A O no hydrogen 2.812 N/A THR 475.A N THR 471.A O no hydrogen 2.904 N/A THR 475.A OG1 THR 471.A O no hydrogen 2.775 N/A GLU 476.A N LYS 472.A O no hydrogen 3.174 N/A VAL 477.A N HIS 473.A O no hydrogen 3.310 N/A LEU 478.A N PHE 474.A O no hydrogen 2.822 N/A ASP 479.A N THR 475.A O no hydrogen 2.715 N/A THR 480.A N GLU 476.A O no hydrogen 3.185 N/A THR 480.A N VAL 477.A O no hydrogen 3.062 N/A THR 480.A OG1 GLU 476.A O no hydrogen 2.761 N/A PHE 481.A N VAL 477.A O no hydrogen 2.928 N/A GLY 483.A N GLN 313.A OE1 no hydrogen 3.069 N/A GLU 484.A N PHE 481.A O no hydrogen 3.056 N/A LYS 488.A NZ GLU 320.A OE1 no hydrogen 3.224 N/A LYS 488.A NZ GLU 320.A OE2 no hydrogen 2.488 N/A LYS 488.A NZ PRO 482.A O no hydrogen 2.866 N/A LYS 488.A NZ GLU 484.A O no hydrogen 2.757 N/A LEU 489.A N LEU 485.A O no hydrogen 2.978 N/A ALA 490.A N ALA 486.A O no hydrogen 3.045 N/A LEU 491.A N PRO 487.A O no hydrogen 3.062 N/A ALA 492.A N LYS 488.A O no hydrogen 2.944 N/A ALA 493.A N LEU 489.A O no hydrogen 2.954 N/A THR 494.A N ALA 490.A O no hydrogen 2.979 N/A THR 494.A OG1 ALA 490.A O no hydrogen 2.744 N/A ALA 495.A N LEU 491.A O no hydrogen 3.013 N/A GLU 496.A N ALA 492.A O no hydrogen 3.166 N/A LEU 497.A N ALA 493.A O no hydrogen 3.071 N/A ALA 498.A N THR 494.A O no hydrogen 2.859 N/A GLY 499.A N GLU 496.A O no hydrogen 3.248 N/A ASN 500.A N ALA 495.A O no hydrogen 2.971 N/A HIS 504.A N ASP 502.A OD1 no hydrogen 3.036 N/A LYS 505.A N ASP 502.A O no hydrogen 3.141 N/A PHE 506.A N ASP 502.A OD2 no hydrogen 2.731 N/A TYR 507.A OH GLU 496.A OE1 no hydrogen 2.905 N/A THR 509.A N LYS 505.A O no hydrogen 3.092 N/A THR 509.A OG1 LYS 505.A O no hydrogen 3.428 N/A VAL 510.A N PHE 506.A O no hydrogen 2.755 N/A TRP 511.A N TYR 507.A O no hydrogen 2.854 N/A TRP 511.A NE1 GLU 543.A OE1 no hydrogen 2.785 N/A SER 512.A N GLN 508.A O no hydrogen 2.856 N/A SER 512.A OG GLN 508.A O no hydrogen 2.817 N/A THR 513.A N THR 509.A O no hydrogen 3.250 N/A THR 513.A OG1 THR 509.A O no hydrogen 2.668 N/A ASN 514.A N VAL 510.A O no hydrogen 3.070 N/A GLY 516.A N ASN 514.A OD1 no hydrogen 2.874 N/A VAL 517.A N ASN 514.A O no hydrogen 3.008 N/A SER 519.A OG PHE 344.A O no hydrogen 3.493 N/A ALA 520.A N VAL 517.A O no hydrogen 2.992 N/A PHE 522.A N ILE 518.A O no hydrogen 3.261 N/A GLY 523.A N SER 519.A O no hydrogen 2.935 N/A LEU 524.A N ALA 520.A O no hydrogen 2.755 N/A ALA 525.A N ALA 521.A O no hydrogen 2.925 N/A ARG 526.A N PHE 522.A O no hydrogen 2.906 N/A ARG 526.A NH1 GLU 496.A OE1 no hydrogen 2.457 N/A ARG 526.A NH2 GLU 496.A OE1 no hydrogen 3.153 N/A ALA 527.A N GLY 523.A O no hydrogen 3.157 N/A ARG 528.A N LEU 524.A O no hydrogen 3.065 N/A ARG 528.A NH1 GLY 536.A O no hydrogen 3.026 N/A ARG 528.A NH2 GLN 508.A OE1 no hydrogen 3.389 N/A SER 529.A N ALA 525.A O no hydrogen 2.844 N/A ALA 530.A N ARG 526.A O no hydrogen 3.101 N/A GLY 532.A N SER 529.A O no hydrogen 3.222 N/A ARG 534.A NH1 GLN 568.A OE1 no hydrogen 2.830 N/A GLY 536.A N ASP 533.A OD1 no hydrogen 2.736 N/A ALA 537.A N ASP 533.A O no hydrogen 3.350 N/A VAL 538.A N ARG 534.A O no hydrogen 3.388 N/A ARG 539.A N VAL 535.A O no hydrogen 3.004 N/A THR 540.A N GLY 536.A O no hydrogen 2.753 N/A THR 540.A OG1 GLY 536.A O no hydrogen 3.108 N/A LEU 541.A N ALA 537.A O no hydrogen 2.807 N/A ASP 542.A N VAL 538.A O no hydrogen 2.872 N/A GLU 543.A N THR 540.A O no hydrogen 3.115 N/A VAL 544.A N LEU 541.A O no hydrogen 3.253 N/A SER 548.A N PRO 545.A O no hydrogen 3.006 N/A HIS 550.A N SER 548.A OG no hydrogen 3.029 N/A PHE 551.A N SER 548.A O no hydrogen 3.035 N/A THR 552.A OG1 GLU 583.A OE2 no hydrogen 3.123 N/A ALA 554.A N HIS 550.A O no hydrogen 2.946 N/A ARG 555.A N PHE 551.A O no hydrogen 2.922 N/A LEU 556.A N THR 552.A O no hydrogen 2.888 N/A THR 557.A N THR 553.A O no hydrogen 2.743 N/A THR 557.A OG1 THR 553.A O no hydrogen 2.369 N/A SER 558.A N ALA 554.A O no hydrogen 3.022 N/A SER 558.A OG ALA 554.A O no hydrogen 3.411 N/A ALA 559.A N ARG 555.A O no hydrogen 3.328 N/A VAL 560.A N LEU 556.A O no hydrogen 3.043 N/A THR 561.A N THR 557.A O no hydrogen 2.849 N/A LEU 562.A N SER 558.A O no hydrogen 2.964 N/A LEU 562.A N ALA 559.A O no hydrogen 3.087 N/A LEU 563.A N VAL 560.A O no hydrogen 3.262 N/A GLN 568.A N THR 565.A OG1 no hydrogen 3.026 N/A ILE 569.A N THR 565.A O no hydrogen 3.298 N/A ARG 570.A N GLU 566.A O no hydrogen 2.814 N/A ASP 571.A N GLU 567.A O no hydrogen 2.861 N/A ALA 572.A N GLN 568.A O no hydrogen 2.879 N/A ALA 573.A N ILE 569.A O no hydrogen 2.920 N/A ARG 574.A N ARG 570.A O no hydrogen 2.803 N/A ARG 574.A NH2 ASP 571.A OD1 no hydrogen 3.313 N/A ARG 575.A N ASP 571.A O no hydrogen 3.218 N/A ARG 575.A NE ASP 542.A OD1 no hydrogen 3.483 N/A ARG 575.A NH1 ASP 571.A O no hydrogen 3.024 N/A ARG 575.A NH2 ASP 542.A OD1 no hydrogen 3.361 N/A ARG 575.A NH2 ASP 542.A OD2 no hydrogen 3.014 N/A VAL 576.A N ALA 572.A O no hydrogen 3.420 N/A VAL 576.A N ALA 573.A O no hydrogen 3.195 N/A GLU 577.A N ALA 573.A O no hydrogen 2.836 N/A LEU 579.A N VAL 576.A O no hydrogen 3.236 N/A GLU 583.A N PRO 580.A O no hydrogen 3.185 N/A ARG 585.A NE ASP 354.A OD1 no hydrogen 2.864 N/A ARG 585.A NH1 ASP 347.A OD2 no hydrogen 3.446 N/A ARG 585.A NH2 ASP 354.A OD2 no hydrogen 2.922 N/A VAL 586.A N GLU 583.A O no hydrogen 3.366 N/A GLN 588.A NE2 THR 353.A OG1 no hydrogen 2.572 N/A GLN 588.A NE2 ASP 354.A OD1 no hydrogen 3.113 N/A ILE 589.A N ARG 585.A O no hydrogen 3.233 N/A ARG 590.A N VAL 586.A O no hydrogen 2.854 N/A ARG 590.A NH2 LEU 612.A O no hydrogen 2.847 N/A ALA 591.A N LEU 587.A O no hydrogen 3.052 N/A LEU 592.A N GLN 588.A O no hydrogen 2.935 N/A VAL 593.A N ILE 589.A O no hydrogen 2.749 N/A LEU 594.A N ARG 590.A O no hydrogen 2.938 N/A GLY 595.A N ALA 591.A O no hydrogen 2.790 N/A GLY 596.A N LEU 592.A O no hydrogen 2.892 N/A ALA 597.A N VAL 593.A O no hydrogen 2.970 N/A LEU 598.A N LEU 594.A O no hydrogen 2.936 N/A ASP 599.A N GLY 595.A O no hydrogen 3.123 N/A TRP 600.A N GLY 596.A O no hydrogen 3.051 N/A LEU 601.A N ALA 597.A O no hydrogen 3.275 N/A LYS 602.A NZ ASP 599.A OD1 no hydrogen 2.874 N/A ASP 603.A N TRP 600.A O no hydrogen 2.992 N/A ASN 604.A ND2 TRP 600.A O no hydrogen 3.469 N/A SER 607.A N GLU 566.A OE1 no hydrogen 3.332 N/A SER 607.A N GLU 566.A OE2 no hydrogen 3.306 N/A SER 607.A OG GLU 566.A OE1 no hydrogen 3.273 N/A ILE 611.A N PHE 614.A O no hydrogen 2.951 N/A PHE 614.A N ILE 611.A O no hydrogen 3.016 N/A PHE 616.A N ASN 609.A O no hydrogen 3.291 N/A GLY 620.A N THR 617.A OG1 no hydrogen 3.105 N/A LEU 621.A N THR 617.A O no hydrogen 2.993 N/A ARG 622.A N SER 618.A O no hydrogen 3.117 N/A LEU 623.A N HIS 619.A O no hydrogen 2.978 N/A GLY 624.A N GLY 620.A O no hydrogen 2.778 N/A VAL 625.A N LEU 621.A O no hydrogen 2.693 N/A GLU 626.A N ARG 622.A O no hydrogen 2.801 N/A ALA 627.A N LEU 623.A O no hydrogen 2.883 N/A SER 628.A N GLY 624.A O no hydrogen 2.937 N/A SER 628.A OG GLY 624.A O no hydrogen 2.976 N/A LEU 629.A N VAL 625.A O no hydrogen 2.887 N/A ARG 630.A N GLU 626.A O no hydrogen 3.006 N/A ARG 630.A NE GLU 626.A OE2 no hydrogen 2.930 N/A ARG 630.A NH1 ASN 650.A OD1 no hydrogen 3.357 N/A ARG 630.A NH2 GLU 626.A OE2 no hydrogen 3.315 N/A ARG 630.A NH2 ASN 650.A OD1 no hydrogen 2.671 N/A SER 631.A N ALA 627.A O no hydrogen 3.005 N/A LEU 632.A N SER 628.A O no hydrogen 2.915 N/A ALA 633.A N LEU 629.A O no hydrogen 2.742 N/A ARG 634.A N ARG 630.A O no hydrogen 3.346 N/A VAL 635.A N LEU 632.A O no hydrogen 3.132 N/A ALA 636.A N ALA 633.A O no hydrogen 3.409 N/A HIS 641.A ND1 LEU 357.A O no hydrogen 2.829 N/A ARG 642.A N THR 638.A O no hydrogen 3.053 N/A TYR 643.A N GLN 639.A O no hydrogen 3.081 N/A THR 644.A N ARG 640.A O no hydrogen 3.316 N/A THR 644.A OG1 ARG 640.A O no hydrogen 3.300 N/A LEU 645.A N HIS 641.A O no hydrogen 3.022 N/A VAL 646.A N ARG 642.A O no hydrogen 2.928 N/A ASP 647.A N TYR 643.A O no hydrogen 2.975 N/A MET 648.A N THR 644.A O no hydrogen 3.044 N/A ALA 649.A N LEU 645.A O no hydrogen 2.790 N/A ASN 650.A N VAL 646.A O no hydrogen 2.852 N/A LYS 651.A N ASP 647.A O no hydrogen 2.987 N/A LYS 651.A NZ ASP 647.A OD1 no hydrogen 2.811 N/A LYS 651.A NZ ASP 647.A OD2 no hydrogen 3.182 N/A VAL 652.A N MET 648.A O no hydrogen 3.115 N/A ARG 653.A N ALA 649.A O no hydrogen 2.939 N/A