Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ist_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 6.A N GLY 164.A O no hydrogen 2.896 N/A TRP 7.A N THR 4.A O no hydrogen 2.976 N/A SER 8.A N ASP 11.A OD2 no hydrogen 2.867 N/A VAL 9.A N ASP 221.A OD2 no hydrogen 2.938 N/A ASP 11.A N SER 8.A OG no hydrogen 3.061 N/A TRP 12.A N SER 8.A O no hydrogen 3.280 N/A LEU 13.A N VAL 9.A O no hydrogen 3.068 N/A LEU 13.A N GLN 10.A O no hydrogen 2.725 N/A SER 14.A N GLN 10.A O no hydrogen 2.979 N/A SER 14.A OG GLN 10.A O no hydrogen 3.259 N/A SER 14.A OG ASP 11.A O no hydrogen 3.372 N/A PHE 15.A N ASP 11.A O no hydrogen 3.150 N/A HIS 16.A N TRP 12.A O no hydrogen 3.349 N/A HIS 16.A NE2 GLY 73.A O no hydrogen 3.113 N/A SER 17.A N LEU 13.A O no hydrogen 2.938 N/A SER 17.A OG SER 14.A O no hydrogen 2.619 N/A LYS 18.A N SER 14.A O no hydrogen 3.373 N/A THR 20.A N SER 19.A OG no hydrogen 2.697 N/A LYS 23.A N THR 20.A OG1 no hydrogen 3.343 N/A SER 24.A N THR 20.A O no hydrogen 2.966 N/A SER 24.A OG THR 20.A O no hydrogen 3.515 N/A GLU 26.A N THR 22.A O no hydrogen 2.901 N/A LEU 28.A N SER 24.A O no hydrogen 3.442 N/A GLU 29.A N LEU 25.A O no hydrogen 2.560 N/A ASN 30.A N GLU 26.A O no hydrogen 3.046 N/A LEU 31.A N LEU 27.A O no hydrogen 2.884 N/A LEU 32.A N LEU 28.A O no hydrogen 3.027 N/A SER 34.A N ASN 30.A O no hydrogen 3.054 N/A SER 34.A N LEU 31.A O no hydrogen 3.227 N/A SER 34.A OG ASN 30.A O no hydrogen 3.435 N/A SER 34.A OG LEU 31.A O no hydrogen 2.566 N/A GLN 35.A N LEU 32.A O no hydrogen 3.435 N/A GLN 35.A NE2 SER 34.A OG no hydrogen 3.098 N/A ASP 41.A N PRO 37.A O no hydrogen 2.789 N/A ALA 43.A N ASP 41.A OD2 no hydrogen 2.803 N/A TRP 44.A N ASP 41.A O no hydrogen 3.183 N/A TRP 44.A NE1 GLN 35.A OE1 no hydrogen 2.953 N/A ILE 45.A N LYS 120.A O no hydrogen 2.767 N/A SER 46.A N LYS 120.A O no hydrogen 3.222 N/A ILE 48.A N ILE 118.A O no hydrogen 2.866 N/A LEU 53.A N PRO 49.A O no hydrogen 3.316 N/A HIS 54.A N VAL 50.A O no hydrogen 3.337 N/A HIS 55.A N GLU 51.A O no hydrogen 3.013 N/A GLN 56.A N ASP 52.A O no hydrogen 2.928 N/A GLN 56.A NE2 ASP 52.A OD2 no hydrogen 2.867 N/A GLN 56.A NE2 VAL 117.A O no hydrogen 2.919 N/A TRP 57.A N LEU 53.A O no hydrogen 2.897 N/A ASN 58.A N HIS 54.A O no hydrogen 2.615 N/A ILE 59.A N HIS 55.A O no hydrogen 3.113 N/A LEU 60.A N GLN 56.A O no hydrogen 2.914 N/A GLN 61.A N ASN 58.A O no hydrogen 2.593 N/A GLN 61.A NE2 TYR 72.A OH no hydrogen 2.948 N/A SER 62.A N ASN 58.A O no hydrogen 3.291 N/A SER 62.A OG ILE 59.A O no hydrogen 2.668 N/A LYS 63.A N ILE 59.A O no hydrogen 3.448 N/A ASN 65.A ND2 GLU 68.A OE2 no hydrogen 3.526 N/A LYS 66.A NZ GLN 61.A O no hydrogen 2.718 N/A LYS 66.A NZ LYS 63.A O no hydrogen 2.631 N/A LEU 69.A N LYS 66.A O no hydrogen 3.191 N/A LEU 71.A N ALA 113.A O no hydrogen 2.884 N/A TYR 72.A N LEU 69.A O no hydrogen 3.258 N/A GLY 73.A N GLY 114.A O no hydrogen 2.469 N/A VAL 74.A N LEU 71.A O no hydrogen 3.263 N/A ILE 76.A N VAL 116.A O no hydrogen 2.776 N/A ALA 77.A N LEU 168.A O no hydrogen 3.335 N/A VAL 78.A N GLY 119.A O no hydrogen 3.426 N/A LYS 79.A N LEU 170.A O no hydrogen 3.144 N/A LYS 79.A NZ SER 153.A OG no hydrogen 3.361 N/A LYS 79.A NZ SER 154.A OG no hydrogen 2.721 N/A LYS 79.A NZ THR 172.A OG1 no hydrogen 2.764 N/A ASP 80.A N THR 121.A O no hydrogen 2.856 N/A ILE 82.A N LYS 79.A O no hydrogen 3.023 N/A ASP 83.A N GLY 201.A O no hydrogen 2.665 N/A TYR 84.A OH ASP 52.A OD2 no hydrogen 2.582 N/A LYS 85.A N ASP 103.A OD1 no hydrogen 2.542 N/A THR 89.A N TYR 98.A O no hydrogen 2.722 N/A THR 89.A OG1 ASP 83.A OD1 no hydrogen 2.847 N/A THR 90.A N ASP 80.A OD2 no hydrogen 3.356 N/A THR 90.A OG1 CYS 93.A O no hydrogen 3.306 N/A THR 90.A OG1 TYR 137.A OH no hydrogen 3.215 N/A ALA 91.A N ASP 80.A O no hydrogen 2.735 N/A CYS 93.A N THR 90.A O no hydrogen 3.153 N/A CYS 93.A SG SER 329.A O no hydrogen 3.785 N/A CYS 93.A SG SER 329.A OG no hydrogen 3.432 N/A SER 95.A N SER 329.A OG no hydrogen 3.050 N/A SER 95.A OG SER 329.A OG no hydrogen 3.306 N/A TYR 96.A N CYS 93.A O no hydrogen 2.949 N/A TYR 98.A N THR 89.A O no hydrogen 2.904 N/A TYR 98.A OH ASP 83.A OD1 no hydrogen 2.577 N/A GLN 99.A NE2 LEU 87.A O no hydrogen 3.095 N/A GLN 99.A NE2 PRO 100.A O no hydrogen 3.267 N/A ARG 102.A NH2 GLU 236.A OE2 no hydrogen 2.756 N/A SER 104.A N ASP 83.A O no hydrogen 3.224 N/A SER 104.A OG ARG 200.A O no hydrogen 3.281 N/A SER 104.A OG GLY 201.A O no hydrogen 2.732 N/A TYR 105.A N ARG 200.A O no hydrogen 3.082 N/A GLU 108.A N SER 104.A O no hydrogen 2.836 N/A LEU 109.A N TYR 105.A O no hydrogen 2.947 N/A LEU 110.A N VAL 106.A O no hydrogen 3.214 N/A ARG 111.A N VAL 107.A O no hydrogen 2.708 N/A ARG 111.A NH1 ASP 103.A OD2 no hydrogen 3.139 N/A ASP 112.A N GLU 108.A O no hydrogen 3.003 N/A ALA 113.A N LEU 109.A O no hydrogen 2.828 N/A GLY 114.A N ARG 111.A O no hydrogen 2.671 N/A ALA 115.A N LEU 110.A O no hydrogen 2.754 N/A VAL 116.A N VAL 74.A O no hydrogen 2.707 N/A VAL 117.A N GLN 56.A OE1 no hydrogen 2.815 N/A ILE 118.A N ILE 76.A O no hydrogen 2.996 N/A LYS 120.A NZ ASP 80.A OD2 no hydrogen 2.966 N/A LYS 120.A NZ ILE 82.A O no hydrogen 2.900 N/A THR 121.A N VAL 78.A O no hydrogen 2.836 N/A THR 121.A OG1 ALA 43.A O no hydrogen 3.330 N/A ASN 122.A N ALA 43.A O no hydrogen 2.844 N/A ASN 122.A ND2 PRO 42.A O no hydrogen 2.864 N/A ASN 122.A ND2 GLY 138.A O no hydrogen 3.295 N/A ASP 124.A N SER 153.A O no hydrogen 3.154 N/A GLN 125.A N ARG 134.A O no hydrogen 2.836 N/A GLN 125.A NE2 ALA 92.A O no hydrogen 2.820 N/A GLN 125.A NE2 SER 329.A O no hydrogen 2.855 N/A PHE 126.A N ALA 91.A O no hydrogen 2.892 N/A THR 128.A N GLN 125.A O no hydrogen 3.003 N/A THR 128.A OG1 PHE 126.A O no hydrogen 2.847 N/A LEU 130.A N ASN 395.A OD1 no hydrogen 2.959 N/A GLY 132.A N ASP 124.A OD1 no hydrogen 2.951 N/A GLY 132.A N ASP 124.A OD2 no hydrogen 3.153 N/A ARG 134.A N ASP 124.A OD2 no hydrogen 2.793 N/A ARG 134.A NH1 THR 128.A O no hydrogen 2.819 N/A ARG 134.A NH2 PRO 391.A O no hydrogen 3.162 N/A SER 135.A OG ASN 122.A OD1 no hydrogen 2.858 N/A TYR 137.A N SER 135.A OG no hydrogen 2.995 N/A GLY 138.A N SER 135.A O no hydrogen 3.012 N/A CYS 142.A N TYR 148.A O no hydrogen 2.717 N/A CYS 142.A SG LEU 184.A O no hydrogen 3.469 N/A VAL 143.A N ASN 185.A OD1 no hydrogen 3.177 N/A ASN 145.A N CYS 142.A O no hydrogen 3.289 N/A LYS 147.A N ASN 145.A OD1 no hydrogen 2.826 N/A TYR 148.A N ASN 145.A O no hydrogen 3.036 N/A VAL 149.A N PRO 382.A O no hydrogen 3.178 N/A SER 150.A N THR 140.A O no hydrogen 3.263 N/A SER 150.A OG THR 140.A O no hydrogen 3.117 N/A SER 150.A OG GLY 151.A O no hydrogen 2.865 N/A SER 153.A OG ALA 127.A O no hydrogen 3.213 N/A SER 154.A OG THR 172.A O no hydrogen 3.173 N/A SER 154.A OG ALA 177.A O no hydrogen 2.734 N/A ALA 155.A N SER 153.A O no hydrogen 2.702 N/A GLY 156.A N ASN 122.A O no hydrogen 2.715 N/A SER 157.A OG LEU 170.A O no hydrogen 2.689 N/A ALA 158.A N SER 154.A O no hydrogen 3.308 N/A SER 159.A N ALA 155.A O no hydrogen 3.149 N/A VAL 160.A N GLY 156.A O no hydrogen 2.829 N/A VAL 161.A N SER 157.A O no hydrogen 3.432 N/A GLY 162.A N ALA 158.A O no hydrogen 2.757 N/A ARG 163.A N SER 159.A O no hydrogen 2.961 N/A ARG 163.A NE SER 159.A O no hydrogen 3.222 N/A ARG 163.A NE SER 159.A OG no hydrogen 3.301 N/A ARG 163.A NH1 ASP 41.A OD1 no hydrogen 2.777 N/A ARG 163.A NH2 ASP 41.A OD1 no hydrogen 2.995 N/A ARG 163.A NH2 ASP 41.A OD2 no hydrogen 3.505 N/A ARG 163.A NH2 SER 159.A OG no hydrogen 2.819 N/A GLY 164.A N VAL 161.A O no hydrogen 2.827 N/A ILE 165.A N VAL 160.A O no hydrogen 2.913 N/A SER 169.A N PHE 215.A O no hydrogen 3.286 N/A SER 169.A OG SER 157.A O no hydrogen 2.634 N/A LEU 170.A N ALA 77.A O no hydrogen 2.818 N/A GLY 171.A N SER 213.A O no hydrogen 2.919 N/A THR 172.A OG1 ASN 81.A OD1 no hydrogen 2.817 N/A ASP 173.A N CYS 211.A O no hydrogen 2.838 N/A THR 174.A OG1 ASP 210.A OD1 no hydrogen 2.285 N/A GLY 176.A N ASP 173.A OD1 no hydrogen 2.879 N/A GLY 178.A N ASP 173.A OD2 no hydrogen 2.813 N/A ARG 179.A N GLY 176.A O no hydrogen 2.936 N/A ARG 179.A NE ASP 173.A OD2 no hydrogen 2.844 N/A ARG 179.A NH1 THR 402.A O no hydrogen 2.849 N/A ARG 179.A NH2 ASP 173.A OD1 no hydrogen 2.474 N/A ARG 179.A NH2 ASP 173.A OD2 no hydrogen 3.428 N/A ARG 179.A NH2 THR 402.A O no hydrogen 3.454 N/A VAL 180.A N GLY 176.A O no hydrogen 2.885 N/A ALA 182.A N ARG 179.A O no hydrogen 2.742 N/A ALA 183.A N ARG 179.A O no hydrogen 3.372 N/A LEU 184.A N VAL 180.A O no hydrogen 3.419 N/A ASN 185.A N ALA 182.A O no hydrogen 3.197 N/A ASN 185.A ND2 SER 150.A O no hydrogen 2.889 N/A ASN 185.A ND2 PRO 181.A O no hydrogen 2.928 N/A ASN 186.A N ALA 183.A O no hydrogen 3.404 N/A LEU 187.A N ALA 182.A O no hydrogen 3.065 N/A ILE 188.A N ALA 216.A O no hydrogen 2.741 N/A GLY 189.A N ALA 414.A O no hydrogen 2.880 N/A LEU 190.A N VAL 214.A O no hydrogen 2.996 N/A LYS 191.A N ALA 412.A O no hydrogen 3.003 N/A LYS 191.A NZ PRO 192.A O no hydrogen 2.892 N/A LYS 191.A NZ ASN 406.A OD1 no hydrogen 2.701 N/A LYS 191.A NZ LEU 410.A O no hydrogen 2.897 N/A THR 193.A N ASP 437.A OD2 no hydrogen 2.625 N/A THR 193.A OG1 ASP 437.A OD1 no hydrogen 2.596 N/A THR 193.A OG1 ASP 437.A OD2 no hydrogen 3.317 N/A LYS 194.A NZ SER 208.A O no hydrogen 2.705 N/A ALA 196.A N THR 193.A O no hydrogen 3.261 N/A SER 198.A OG ASP 233.A OD2 no hydrogen 2.858 N/A CYS 199.A N ASP 237.A OD2 no hydrogen 3.056 N/A ARG 200.A N SER 198.A OG no hydrogen 2.850 N/A ARG 200.A NH1 GLU 236.A OE1 no hydrogen 2.603 N/A ARG 200.A NH2 ASP 103.A O no hydrogen 3.367 N/A ARG 200.A NH2 GLU 108.A OE1 no hydrogen 2.783 N/A VAL 202.A N CYS 199.A O no hydrogen 3.352 N/A VAL 203.A N ASN 81.A O no hydrogen 2.799 N/A ALA 205.A N ASP 210.A OD2 no hydrogen 2.981 N/A LYS 207.A NZ GLU 238.A OE1 no hydrogen 3.068 N/A SER 208.A N GLU 312.A OE2 no hydrogen 2.930 N/A SER 208.A OG GLU 312.A OE1 no hydrogen 2.588 N/A SER 208.A OG GLU 312.A OE2 no hydrogen 3.101 N/A LEU 209.A N CYS 206.A O no hydrogen 2.712 N/A ASP 210.A N CYS 206.A O no hydrogen 2.834 N/A CYS 211.A N ASP 173.A O no hydrogen 3.058 N/A CYS 211.A SG PRO 192.A O no hydrogen 3.718 N/A CYS 211.A SG ASN 406.A OD1 no hydrogen 3.679 N/A SER 213.A N GLY 171.A O no hydrogen 2.892 N/A VAL 214.A N LEU 190.A O no hydrogen 3.177 N/A PHE 215.A N SER 169.A O no hydrogen 2.990 N/A ALA 216.A N ILE 188.A O no hydrogen 2.985 N/A ASN 218.A ND2 ASP 221.A OD2 no hydrogen 3.232 N/A LEU 219.A N ASP 471.A OD1 no hydrogen 2.970 N/A SER 220.A N GLU 470.A O no hydrogen 3.063 N/A ASP 221.A N ASN 218.A OD1 no hydrogen 2.576 N/A ALA 222.A N ASN 218.A O no hydrogen 3.199 N/A GLU 223.A N LEU 219.A O no hydrogen 2.945 N/A ILE 224.A N SER 220.A O no hydrogen 3.312 N/A ALA 225.A N ASP 221.A O no hydrogen 2.986 N/A PHE 226.A N ALA 222.A O no hydrogen 2.858 N/A LYS 227.A N GLU 223.A O no hydrogen 2.783 N/A LYS 227.A NZ GLY 475.A O no hydrogen 3.026 N/A VAL 228.A N ILE 224.A O no hydrogen 3.163 N/A MET 229.A N ALA 225.A O no hydrogen 2.974 N/A MET 229.A N PHE 226.A O no hydrogen 3.241 N/A ASN 230.A N PHE 226.A O no hydrogen 2.988 N/A LYS 231.A N ALA 196.A O no hydrogen 3.321 N/A GLU 238.A N GLU 238.A OE1 no hydrogen 2.562 N/A TYR 239.A N ASP 237.A OD1 no hydrogen 3.078 N/A SER 240.A N ASP 237.A O no hydrogen 3.254 N/A SER 240.A OG PRO 232.A O no hydrogen 2.064 N/A ARG 241.A N GLY 195.A O no hydrogen 2.843 N/A ARG 241.A NH2 ASP 409.A OD1 no hydrogen 3.513 N/A ARG 241.A NH2 ASP 409.A OD2 no hydrogen 2.575 N/A ASN 246.A N THR 480.A O no hydrogen 2.815 N/A ASN 246.A ND2 ASN 482.A O no hydrogen 3.040 N/A GLN 250.A NE2 ASP 442.A OD1 no hydrogen 3.350 N/A LYS 253.A NZ THR 285.A O no hydrogen 3.247 N/A LEU 255.A N PRO 252.A O no hydrogen 2.878 N/A THR 256.A N ASP 371.A OD2 no hydrogen 2.787 N/A ILE 257.A N LYS 288.A O no hydrogen 2.793 N/A ALA 258.A N VAL 372.A O no hydrogen 2.761 N/A ILE 259.A N VAL 290.A O no hydrogen 2.991 N/A GLU 268.A N TRP 265.A O no hydrogen 3.032 N/A GLU 270.A N GLU 268.A OE2 no hydrogen 3.063 N/A ASN 271.A N GLU 268.A OE2 no hydrogen 2.937 N/A ASN 271.A ND2 PRO 379.A O no hydrogen 2.493 N/A ASN 271.A ND2 ASN 381.A OD1 no hydrogen 3.016 N/A LYS 273.A N GLU 270.A O no hydrogen 3.130 N/A TYR 275.A N ASN 271.A O no hydrogen 3.068 N/A TYR 275.A OH CYS 374.A O no hydrogen 3.106 N/A THR 276.A N PRO 272.A O no hydrogen 3.058 N/A THR 276.A OG1 PRO 272.A O no hydrogen 3.071 N/A LYS 277.A N LYS 273.A O no hydrogen 3.062 N/A ALA 278.A N LEU 274.A O no hydrogen 3.072 N/A VAL 279.A N TYR 275.A O no hydrogen 3.109 N/A ALA 280.A N THR 276.A O no hydrogen 3.350 N/A SER 281.A N LYS 277.A O no hydrogen 2.875 N/A LEU 282.A N ALA 278.A O no hydrogen 2.904 N/A LYS 283.A N VAL 279.A O no hydrogen 2.878 N/A ASN 284.A N ALA 280.A O no hydrogen 3.101 N/A THR 285.A N LEU 282.A O no hydrogen 2.545 N/A THR 285.A OG1 LEU 282.A O no hydrogen 2.520 N/A GLY 286.A N LYS 283.A O no hydrogen 2.798 N/A ALA 287.A N THR 285.A OG1 no hydrogen 3.284 N/A LYS 288.A N LEU 255.A O no hydrogen 2.857 N/A VAL 290.A N ILE 257.A O no hydrogen 2.856 N/A VAL 292.A N ILE 259.A O no hydrogen 2.890 N/A GLU 295.A N ASP 293.A OD1 no hydrogen 2.990 N/A LEU 298.A N PHE 294.A O no hydrogen 3.063 N/A GLU 299.A N GLU 295.A O no hydrogen 2.706 N/A LEU 300.A N PRO 296.A O no hydrogen 2.951 N/A ALA 301.A N LEU 297.A O no hydrogen 2.952 N/A ARG 302.A N LEU 298.A O no hydrogen 3.028 N/A CYS 303.A N GLU 299.A O no hydrogen 3.271 N/A TYR 305.A N ARG 302.A O no hydrogen 3.240 N/A GLU 306.A N ARG 302.A O no hydrogen 2.831 N/A GLY 307.A N CYS 303.A O no hydrogen 2.640 N/A ALA 311.A N ALA 308.A O no hydrogen 2.977 N/A GLU 312.A N TRP 309.A O no hydrogen 2.644 N/A ARG 313.A NH2 ALA 127.A O no hydrogen 3.393 N/A TYR 314.A N VAL 310.A O no hydrogen 3.164 N/A CYS 315.A N ALA 311.A O no hydrogen 2.787 N/A ALA 316.A N GLU 312.A O no hydrogen 3.018 N/A THR 317.A N ARG 313.A O no hydrogen 3.110 N/A THR 317.A N TYR 314.A O no hydrogen 3.002 N/A THR 317.A OG1 ARG 313.A O no hydrogen 2.837 N/A LEU 321.A N THR 317.A O no hydrogen 2.933 N/A ALA 322.A N ARG 318.A O no hydrogen 3.046 N/A THR 323.A N ASP 319.A O no hydrogen 3.289 N/A THR 323.A N PHE 320.A O no hydrogen 2.955 N/A ASN 324.A N LEU 321.A O no hydrogen 3.029 N/A SER 329.A N PRO 326.A O no hydrogen 3.090 N/A SER 329.A OG SER 95.A OG no hydrogen 3.306 N/A LEU 330.A N GLU 327.A O no hydrogen 2.986 N/A ASP 331.A N GLN 125.A OE1 no hydrogen 2.988 N/A VAL 334.A N ASP 331.A OD1 no hydrogen 2.835 N/A VAL 335.A N ASP 331.A O no hydrogen 3.023 N/A ASN 336.A N GLU 332.A O no hydrogen 2.946 N/A ILE 337.A N THR 333.A O no hydrogen 2.862 N/A ILE 338.A N VAL 334.A O no hydrogen 2.857 N/A LYS 339.A N VAL 335.A O no hydrogen 2.864 N/A GLY 340.A N ILE 337.A O no hydrogen 2.950 N/A ALA 341.A N ILE 338.A O no hydrogen 3.399 N/A VAL 342.A N LYS 339.A O no hydrogen 3.121 N/A LYS 343.A N GLY 340.A O no hydrogen 3.244 N/A PHE 344.A N ALA 341.A O no hydrogen 2.905 N/A ASP 345.A N ASP 348.A OD2 no hydrogen 2.960 N/A ASP 348.A N ASP 345.A OD1 no hydrogen 2.708 N/A ALA 349.A N ASP 345.A O no hydrogen 3.087 N/A PHE 350.A N ALA 346.A O no hydrogen 3.148 N/A LYS 351.A N ALA 347.A O no hydrogen 2.949 N/A PHE 352.A N ASP 348.A O no hydrogen 2.947 N/A GLU 353.A N ALA 349.A O no hydrogen 3.036 N/A TYR 354.A N PHE 350.A O no hydrogen 2.783 N/A LYS 355.A N LYS 351.A O no hydrogen 3.330 N/A ARG 356.A N PHE 352.A O no hydrogen 2.752 N/A ARG 356.A NE LEU 407.A O no hydrogen 3.545 N/A GLN 357.A N GLU 353.A O no hydrogen 2.918 N/A GLN 357.A NE2 GLU 353.A OE2 no hydrogen 2.972 N/A GLY 358.A N TYR 354.A O no hydrogen 2.964 N/A ILE 359.A N LYS 355.A O no hydrogen 2.979 N/A LEU 360.A N ARG 356.A O no hydrogen 2.930 N/A GLN 361.A N GLN 357.A O no hydrogen 2.977 N/A VAL 363.A N ILE 359.A O no hydrogen 2.870 N/A ASN 364.A N LEU 360.A O no hydrogen 2.651 N/A LEU 365.A N GLN 361.A O no hydrogen 3.066 N/A LEU 366.A N LYS 362.A O no hydrogen 3.042 N/A LEU 367.A N VAL 363.A O no hydrogen 3.156 N/A ILE 370.A N LEU 367.A O no hydrogen 3.061 N/A ASP 371.A N THR 256.A O no hydrogen 2.987 N/A VAL 372.A N THR 256.A O no hydrogen 3.144 N/A LEU 373.A N ILE 431.A O no hydrogen 2.843 N/A CYS 374.A N ALA 258.A O no hydrogen 2.810 N/A VAL 375.A N THR 429.A O no hydrogen 3.275 N/A THR 377.A N GLY 427.A O no hydrogen 2.996 N/A CYS 378.A SG LEU 380.A O no hydrogen 3.605 N/A CYS 378.A SG ASN 426.A OD1 no hydrogen 3.919 N/A LEU 380.A N GLN 398.A OE1 no hydrogen 3.036 N/A ASN 381.A ND2 PRO 425.A O no hydrogen 3.005 N/A LYS 383.A N GLU 386.A OE1 no hydrogen 2.699 N/A LEU 384.A N LYS 147.A O no hydrogen 2.627 N/A VAL 387.A N LYS 383.A O no hydrogen 3.346 N/A ALA 388.A N LEU 384.A O no hydrogen 3.244 N/A GLN 389.A N GLU 385.A O no hydrogen 3.057 N/A GLU 390.A N GLU 386.A O no hydrogen 3.012 N/A VAL 394.A N GLU 390.A O no hydrogen 3.416 N/A SER 396.A N VAL 392.A O no hydrogen 2.975 N/A SER 396.A OG VAL 392.A O no hydrogen 3.038 N/A SER 396.A OG LEU 393.A O no hydrogen 3.549 N/A ARG 397.A N LEU 393.A O no hydrogen 3.104 N/A GLN 398.A N VAL 394.A O no hydrogen 3.055 N/A GLN 398.A NE2 LEU 380.A O no hydrogen 2.596 N/A GLY 399.A N SER 396.A O no hydrogen 2.859 N/A THR 400.A N ARG 397.A O no hydrogen 3.160 N/A THR 400.A OG1 ARG 397.A O no hydrogen 2.722 N/A THR 402.A N GLY 399.A O no hydrogen 3.464 N/A THR 402.A OG1 ALA 175.A O no hydrogen 2.820 N/A THR 402.A OG1 GLY 399.A O no hydrogen 3.507 N/A ASN 403.A N GLY 399.A O no hydrogen 3.375 N/A VAL 405.A N THR 402.A O no hydrogen 3.388 N/A ASN 406.A ND2 ASP 173.A O no hydrogen 3.148 N/A ASN 406.A ND2 THR 174.A O no hydrogen 2.898 N/A ALA 408.A N PHE 404.A O no hydrogen 3.188 N/A ALA 408.A N VAL 405.A O no hydrogen 3.322 N/A ASP 409.A N ASN 406.A O no hydrogen 3.141 N/A LEU 410.A N VAL 405.A O no hydrogen 3.154 N/A ALA 411.A N GLY 432.A O no hydrogen 2.961 N/A ALA 412.A N LYS 191.A O no hydrogen 3.232 N/A LEU 413.A N LEU 430.A O no hydrogen 2.859 N/A ALA 414.A N GLY 189.A O no hydrogen 2.684 N/A VAL 415.A N ILE 428.A O no hydrogen 2.868 N/A SER 417.A N ASN 426.A O no hydrogen 2.773 N/A SER 417.A OG ASN 426.A O no hydrogen 3.261 N/A ARG 420.A N LEU 424.A O no hydrogen 2.973 N/A ARG 420.A NE ASP 422.A OD2 no hydrogen 3.158 N/A ARG 420.A NH1 ASN 271.A OD1 no hydrogen 3.174 N/A ARG 420.A NH2 ASP 422.A OD1 no hydrogen 3.157 N/A SER 421.A N GLU 270.A OE1 no hydrogen 3.257 N/A SER 421.A OG GLU 270.A OE1 no hydrogen 2.532 N/A GLY 423.A N ARG 420.A O no hydrogen 2.928 N/A ASN 426.A N GLY 418.A O no hydrogen 3.410 N/A ASN 426.A ND2 ASN 381.A OD1 no hydrogen 2.770 N/A GLY 427.A N ASN 426.A OD1 no hydrogen 2.811 N/A ILE 428.A N VAL 415.A O no hydrogen 2.968 N/A THR 429.A N VAL 375.A O no hydrogen 2.904 N/A LEU 430.A N LEU 413.A O no hydrogen 2.732 N/A ILE 431.A N LEU 373.A O no hydrogen 2.821 N/A GLY 432.A N ALA 411.A O no hydrogen 2.867 N/A LYS 433.A NZ LEU 367.A O no hydrogen 2.357 N/A LYS 433.A NZ ILE 370.A O no hydrogen 2.760 N/A PHE 435.A N THR 193.A OG1 no hydrogen 2.789 N/A SER 436.A N LYS 433.A O no hydrogen 3.211 N/A SER 436.A OG LYS 433.A O no hydrogen 2.349 N/A LEU 440.A N SER 436.A O no hydrogen 2.870 N/A LEU 441.A N ASP 437.A O no hydrogen 3.210 N/A ASP 442.A N TYR 438.A O no hydrogen 3.025 N/A LEU 443.A N ALA 439.A O no hydrogen 2.883 N/A ALA 444.A N LEU 440.A O no hydrogen 2.956 N/A LYS 445.A N LEU 441.A O no hydrogen 3.139 N/A ARG 446.A N ASP 442.A O no hydrogen 3.268 N/A ARG 446.A N LEU 443.A O no hydrogen 3.161 N/A ARG 446.A NH1 PRO 252.A O no hydrogen 3.372 N/A ARG 446.A NH2 TYR 251.A O no hydrogen 3.075 N/A PHE 447.A N LEU 443.A O no hydrogen 2.900 N/A PHE 448.A N ALA 444.A O no hydrogen 2.713 N/A SER 449.A N LYS 445.A O no hydrogen 3.203 N/A SER 449.A OG ARG 446.A O no hydrogen 3.140 N/A VAL 450.A N PHE 447.A O no hydrogen 3.111 N/A ALA 451.A N PHE 447.A O no hydrogen 2.908 N/A PHE 452.A N PHE 448.A O no hydrogen 2.999 N/A SER 456.A OG PRO 453.A O no hydrogen 2.994 N/A ARG 457.A NH1 LEU 217.A O no hydrogen 3.085 N/A ARG 457.A NH1 ASP 471.A OD2 no hydrogen 2.984 N/A ARG 457.A NH2 LEU 217.A O no hydrogen 3.241 N/A THR 458.A OG1 ARG 465.A O no hydrogen 3.558 N/A GLY 460.A N ASN 186.A O no hydrogen 3.090 N/A LYS 461.A N GLY 162.A O no hydrogen 2.773 N/A PHE 462.A N TYR 459.A O no hydrogen 2.909 N/A VAL 463.A N LYS 461.A O no hydrogen 2.656 N/A ARG 465.A N PHE 462.A O no hydrogen 2.869 N/A ARG 465.A NH1 LEU 5.A O no hydrogen 3.314 N/A ARG 466.A NH1 SER 456.A O no hydrogen 3.021 N/A ILE 467.A N ARG 457.A O no hydrogen 3.090 N/A THR 468.A N GLU 470.A OE2 no hydrogen 3.099 N/A THR 468.A OG1 GLU 470.A OE2 no hydrogen 3.490 N/A VAL 469.A N GLU 470.A OE2 no hydrogen 3.270 N/A GLU 470.A N GLU 470.A OE2 no hydrogen 2.915 N/A GLU 472.A N VAL 469.A O no hydrogen 3.288 N/A ASP 474.A N GLU 223.A OE1 no hydrogen 2.596 N/A GLY 475.A N GLU 223.A OE1 no hydrogen 3.218 N/A GLY 475.A N GLU 223.A OE2 no hydrogen 3.208 N/A LYS 478.A NZ TYR 509.A O no hydrogen 3.244 N/A ASP 479.A N ASP 479.A OD1 no hydrogen 2.539 N/A THR 480.A N SER 477.A O no hydrogen 2.960 N/A THR 480.A OG1 SER 477.A O no hydrogen 2.449 N/A LEU 481.A N LYS 478.A O no hydrogen 2.997 N/A ASN 482.A N ASN 246.A OD1 no hydrogen 2.742 N/A VAL 484.A N VAL 553.A O no hydrogen 2.729 N/A LEU 486.A N TYR 551.A O no hydrogen 2.986 N/A ALA 487.A N LYS 583.A O no hydrogen 2.730 N/A VAL 488.A N GLU 549.A O no hydrogen 2.684 N/A HIS 492.A NE2 GLN 501.A OE1 no hydrogen 2.850 N/A LEU 493.A N GLY 490.A O no hydrogen 3.066 N/A LYS 494.A N GLU 549.A OE1 no hydrogen 2.973 N/A LEU 496.A N LEU 493.A O no hydrogen 2.855 N/A LEU 498.A N ALA 491.A O no hydrogen 2.941 N/A HIS 499.A N LEU 496.A O no hydrogen 3.130 N/A HIS 499.A NE2 TYR 551.A OH no hydrogen 2.803 N/A GLN 501.A N LEU 498.A O no hydrogen 2.965 N/A LEU 502.A N HIS 499.A O no hydrogen 3.133 N/A LYS 504.A N TRP 500.A O no hydrogen 2.902 N/A CYS 505.A N LEU 502.A O no hydrogen 3.267 N/A CYS 505.A SG GLN 501.A O no hydrogen 3.407 N/A ASN 506.A N GLN 503.A O no hydrogen 2.880 N/A ASN 506.A ND2 ASN 246.A O no hydrogen 3.249 N/A ALA 507.A N LEU 502.A O no hydrogen 2.910 N/A THR 508.A N SER 552.A O no hydrogen 2.981 N/A TYR 509.A OH SER 512.A OG no hydrogen 2.595 N/A LEU 510.A N VAL 550.A O no hydrogen 3.037 N/A SER 511.A N VAL 550.A O no hydrogen 3.504 N/A SER 512.A OG TYR 509.A OH no hydrogen 2.595 N/A THR 515.A N ILE 546.A O no hydrogen 2.883 N/A THR 515.A OG1 SER 516.A O no hydrogen 3.306 N/A SER 516.A N GLU 575.A O no hydrogen 3.050 N/A SER 516.A OG GLU 575.A OE1 no hydrogen 2.925 N/A ASN 518.A N SER 544.A O no hydrogen 3.139 N/A ASN 518.A ND2 SER 516.A OG no hydrogen 3.028 N/A TYR 519.A N SER 544.A O no hydrogen 3.158 N/A LYS 520.A N ARG 536.A O no hydrogen 2.962 N/A LEU 521.A N THR 601.A OG1 no hydrogen 3.276 N/A ALA 523.A N VAL 598.A O no hydrogen 2.869 N/A LEU 524.A N LYS 532.A O no hydrogen 3.341 N/A LYS 532.A NZ VAL 530.A O no hydrogen 3.342 N/A ARG 536.A NH1 TYR 522.A OH no hydrogen 2.679 N/A VAL 538.A N ASN 518.A O no hydrogen 3.296 N/A THR 542.A N ASP 540.A O no hydrogen 2.368 N/A THR 542.A OG1 ASP 540.A O no hydrogen 3.359 N/A THR 542.A OG1 ASP 540.A OD1 no hydrogen 2.319 N/A ILE 546.A N THR 515.A OG1 no hydrogen 2.692 N/A GLN 547.A N GLY 604.A O no hydrogen 3.042 N/A GLN 547.A NE2 SER 512.A O no hydrogen 2.719 N/A GLN 547.A NE2 LEU 548.A O no hydrogen 3.218 N/A LEU 548.A N PRO 513.A O no hydrogen 2.856 N/A GLU 549.A N VAL 488.A O no hydrogen 3.121 N/A VAL 550.A N SER 511.A O no hydrogen 2.762 N/A TYR 551.A N LEU 486.A O no hydrogen 2.783 N/A TYR 551.A OH GLU 549.A OE1 no hydrogen 2.956 N/A SER 552.A N THR 508.A O no hydrogen 2.859 N/A VAL 553.A N VAL 484.A O no hydrogen 3.149 N/A ARG 557.A N PRO 554.A O no hydrogen 2.777 N/A PHE 558.A N TYR 555.A O no hydrogen 3.186 N/A PHE 561.A N ARG 557.A O no hydrogen 3.322 N/A ILE 562.A N PHE 558.A O no hydrogen 2.825 N/A ALA 563.A N GLY 559.A O no hydrogen 2.998 N/A MET 564.A N PHE 561.A O no hydrogen 2.892 N/A VAL 565.A N ILE 562.A O no hydrogen 3.268 N/A LEU 569.A N PRO 566.A O no hydrogen 3.206 N/A GLY 570.A N ILE 586.A O no hydrogen 3.059 N/A GLY 572.A N SER 584.A O no hydrogen 2.888 N/A VAL 574.A N VAL 582.A O no hydrogen 3.142 N/A GLU 575.A N TYR 519.A OH no hydrogen 3.102 N/A LEU 576.A N GLU 580.A O no hydrogen 2.764 N/A GLU 577.A N LYS 514.A O no hydrogen 2.880 N/A GLY 579.A N LEU 576.A O no hydrogen 2.572 N/A VAL 582.A N VAL 574.A O no hydrogen 3.168 N/A SER 584.A N GLY 572.A O no hydrogen 2.879 N/A SER 584.A OG ALA 487.A O no hydrogen 3.389 N/A SER 584.A OG PHE 585.A O no hydrogen 3.191 N/A PHE 585.A N ALA 487.A O no hydrogen 3.371 N/A ILE 586.A N GLY 570.A O no hydrogen 2.957 N/A CYS 587.A SG PRO 568.A O no hydrogen 3.677 N/A CYS 587.A SG GLU 588.A O no hydrogen 3.265 N/A GLU 588.A N PRO 568.A O no hydrogen 2.938 N/A GLY 591.A N GLU 588.A O no hydrogen 3.044 N/A THR 593.A N PHE 590.A O no hydrogen 3.098 N/A THR 593.A OG1 GLU 589.A O no hydrogen 3.428 N/A THR 597.A N GLN 594.A O no hydrogen 3.212 N/A THR 597.A OG1 GLN 594.A O no hydrogen 2.907 N/A VAL 598.A N ALA 523.A O no hydrogen 3.119 N/A ILE 600.A N LEU 521.A O no hydrogen 2.612 N/A THR 601.A N ASP 599.A OD1 no hydrogen 2.788 N/A THR 601.A OG1 ASP 599.A OD1 no hydrogen 2.840 N/A THR 601.A OG1 ASP 599.A OD2 no hydrogen 3.543 N/A PHE 603.A N ILE 600.A O no hydrogen 3.076 N/A GLY 604.A N THR 601.A O no hydrogen 3.297 N/A GLY 605.A N PHE 603.A O no hydrogen 2.820 N/A ILE 610.A N PHE 606.A O no hydrogen 3.315 N/A GLU 611.A N PRO 608.A O no hydrogen 3.103 N/A