Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cpe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 TRP 324.A O no hydrogen 2.980 N/A HIS 3.A NE2 SER 327.A OG no hydrogen 2.840 N/A LEU 5.A N HIS 3.A ND1 no hydrogen 3.074 N/A ASN 6.A N HIS 3.A O no hydrogen 2.638 N/A ASN 6.A ND2 ILE 13.A O no hydrogen 3.164 N/A LEU 12.A N ASN 6.A OD1 no hydrogen 2.782 N/A ILE 13.A N ASN 6.A OD1 no hydrogen 3.047 N/A LYS 14.A N GLN 33.A OE1 no hydrogen 2.722 N/A LEU 18.A N HIS 15.A O no hydrogen 3.150 N/A ALA 19.A N PRO 16.A O no hydrogen 3.212 N/A LYS 22.A N TRP 29.A O no hydrogen 3.106 N/A LYS 22.A NZ GLU 24.A OE1 no hydrogen 3.354 N/A GLU 24.A N ILE 27.A O no hydrogen 3.110 N/A ILE 27.A N GLU 24.A O no hydrogen 3.117 N/A TRP 29.A N LYS 22.A O no hydrogen 2.648 N/A TRP 29.A NE1 GLU 24.A O no hydrogen 2.955 N/A ILE 30.A N TYR 39.A O no hydrogen 2.727 N/A LYS 31.A N GLU 20.A O no hydrogen 3.032 N/A LYS 31.A NZ GLU 20.A OE1 no hydrogen 3.381 N/A SER 32.A N LYS 37.A O no hydrogen 2.884 N/A SER 32.A OG ASP 35.A OD1 no hydrogen 3.523 N/A SER 32.A OG ASP 322.A OD1 no hydrogen 2.762 N/A GLN 33.A N ASP 322.A OD2 no hydrogen 2.895 N/A GLN 33.A NE2 LYS 14.A O no hydrogen 2.921 N/A GLN 33.A NE2 ASP 322.A OD2 no hydrogen 2.928 N/A TRP 34.A N SER 32.A OG no hydrogen 3.333 N/A TRP 34.A NE1 ASP 322.A O no hydrogen 3.101 N/A GLY 36.A N SER 32.A O no hydrogen 3.033 N/A LYS 37.A N ASP 35.A OD1 no hydrogen 3.082 N/A LYS 37.A NZ ASP 132.A OD2 no hydrogen 3.207 N/A TYR 39.A N ILE 30.A O no hydrogen 2.983 N/A TYR 39.A OH ASP 35.A OD2 no hydrogen 2.742 N/A GLU 41.A N HIS 28.A O no hydrogen 2.765 N/A PHE 43.A N ASP 318.A O no hydrogen 2.850 N/A ASP 45.A N LYS 42.A O no hydrogen 3.162 N/A TYR 46.A N LYS 42.A O no hydrogen 3.404 N/A LEU 47.A N PHE 43.A O no hydrogen 3.206 N/A ARG 48.A N SER 44.A O no hydrogen 3.355 N/A LEU 49.A N TYR 46.A O no hydrogen 3.081 N/A HIS 50.A N TYR 46.A O no hydrogen 2.950 N/A ILE 55.A N VAL 125.A O no hydrogen 2.725 N/A ASN 58.A ND2 LYS 61.A O no hydrogen 3.063 N/A ASN 58.A ND2 THR 67.A OG1 no hydrogen 3.210 N/A LYS 61.A N ASN 58.A OD1 no hydrogen 2.857 N/A LYS 61.A NZ ASP 60.A OD2 no hydrogen 3.463 N/A LEU 64.A N LYS 61.A O no hydrogen 3.251 N/A GLN 66.A NE2 TYR 115.A OH no hydrogen 3.141 N/A THR 67.A N LEU 64.A O no hydrogen 3.269 N/A TYR 68.A N LEU 64.A O no hydrogen 3.085 N/A LYS 69.A N ASN 58.A O no hydrogen 3.016 N/A LYS 69.A NZ ASN 83.A O no hydrogen 2.829 N/A LYS 69.A NZ GLU 199.A O no hydrogen 2.517 N/A LYS 69.A NZ LEU 201.A O no hydrogen 2.735 N/A ASP 70.A N ASP 203.A OD2 no hydrogen 2.756 N/A LYS 71.A N LYS 69.A O no hydrogen 2.805 N/A ASN 73.A ND2 ASP 70.A OD2 no hydrogen 3.387 N/A SER 76.A N ASN 73.A O no hydrogen 3.003 N/A SER 76.A OG ASN 73.A O no hydrogen 2.544 N/A ARG 77.A N LYS 74.A O no hydrogen 3.119 N/A ARG 77.A NE SER 76.A OG no hydrogen 3.400 N/A ARG 77.A NH1 PRO 82.A O no hydrogen 2.805 N/A ARG 77.A NH2 ASP 203.A OD1 no hydrogen 3.182 N/A TYR 78.A N LEU 84.A O no hydrogen 2.956 N/A LEU 81.A N TYR 78.A O no hydrogen 2.951 N/A ASN 83.A ND2 GLU 199.A OE2 no hydrogen 2.688 N/A LEU 84.A N LEU 81.A O no hydrogen 3.211 N/A LYS 85.A N GLN 206.A OE1 no hydrogen 3.167 N/A LYS 85.A NZ ASP 203.A O no hydrogen 2.835 N/A LYS 85.A NZ GLN 206.A O no hydrogen 2.785 N/A ARG 86.A N SER 76.A O no hydrogen 2.601 N/A ASN 88.A N ASP 220.A OD2 no hydrogen 2.918 N/A VAL 98.A N THR 94.A O no hydrogen 3.228 N/A GLU 99.A N ARG 95.A O no hydrogen 3.334 N/A GLU 100.A N GLU 96.A O no hydrogen 3.011 N/A TRP 101.A N MET 97.A O no hydrogen 2.844 N/A LYS 102.A N VAL 98.A O no hydrogen 2.920 N/A LYS 103.A N GLU 99.A O no hydrogen 2.779 N/A CYS 104.A N GLU 100.A O no hydrogen 2.936 N/A CYS 104.A SG GLU 100.A O no hydrogen 3.322 N/A ARG 105.A N TRP 101.A O no hydrogen 2.829 N/A ARG 105.A NE ASP 106.A OD1 no hydrogen 2.732 N/A ASP 106.A N LYS 102.A O no hydrogen 3.176 N/A ASP 107.A N CYS 104.A O no hydrogen 3.506 N/A TYR 110.A N ASP 107.A OD1 no hydrogen 3.409 N/A TYR 110.A OH GLU 100.A OE1 no hydrogen 2.792 N/A PHE 111.A N ASP 107.A O no hydrogen 3.089 N/A ALA 112.A N ILE 108.A O no hydrogen 2.775 N/A GLU 113.A N VAL 109.A O no hydrogen 2.892 N/A THR 114.A OG1 TYR 110.A O no hydrogen 2.580 N/A TYR 115.A N PHE 111.A O no hydrogen 2.969 N/A TYR 115.A OH GLU 100.A OE1 no hydrogen 3.134 N/A CYS 116.A SG PHE 111.A O no hydrogen 4.037 N/A ILE 118.A N ILE 126.A O no hydrogen 3.206 N/A HIS 120.A N GLY 124.A O no hydrogen 2.524 N/A LYS 127.A N VAL 53.A O no hydrogen 2.832 N/A VAL 128.A N CYS 116.A O no hydrogen 2.996 N/A ARG 131.A N GLN 134.A OE1 no hydrogen 2.832 N/A ARG 131.A NH2 GLU 311.A OE1 no hydrogen 2.802 N/A GLN 134.A NE2 TYR 133.A OH no hydrogen 3.412 N/A GLN 134.A NE2 GLY 156.A O no hydrogen 3.390 N/A ARG 135.A N ARG 131.A O no hydrogen 2.801 N/A ARG 135.A NE GLU 113.A OE1 no hydrogen 3.012 N/A ARG 135.A NH1 ASP 132.A OD1 no hydrogen 2.674 N/A ASP 136.A N ASP 132.A O no hydrogen 2.953 N/A MET 137.A N TYR 133.A O no hydrogen 2.971 N/A LEU 138.A N GLN 134.A O no hydrogen 2.847 N/A LYS 139.A N ARG 135.A O no hydrogen 3.150 N/A ILE 140.A N ASP 136.A O no hydrogen 3.131 N/A MET 141.A N MET 137.A O no hydrogen 2.799 N/A SER 142.A N LEU 138.A O no hydrogen 2.904 N/A SER 143.A N LYS 139.A O no hydrogen 2.873 N/A SER 143.A OG LYS 139.A O no hydrogen 2.803 N/A LYS 144.A N ILE 140.A O no hydrogen 2.986 N/A ARG 145.A NH1 ILE 265.A O no hydrogen 3.011 N/A ARG 145.A NH2 ILE 265.A O no hydrogen 2.821 N/A THR 147.A N ILE 273.A O no hydrogen 2.949 N/A THR 147.A OG1 GLU 300.A O no hydrogen 3.521 N/A VAL 148.A N GLU 300.A O no hydrogen 3.059 N/A CYS 149.A N ILE 275.A O no hydrogen 2.617 N/A ASN 150.A N TYR 302.A O no hydrogen 2.760 N/A ASN 150.A ND2 ALA 345.A O no hydrogen 3.415 N/A LEU 151.A N THR 277.A O no hydrogen 3.009 N/A SER 152.A N ALA 304.A O no hydrogen 3.060 N/A SER 152.A OG ARG 153.A O no hydrogen 3.222 N/A ARG 153.A N GLU 342.A O no hydrogen 2.722 N/A LYS 157.A N LEU 155.A O no hydrogen 2.559 N/A THR 159.A N GLY 156.A O no hydrogen 3.000 N/A THR 159.A OG1 GLY 156.A O no hydrogen 3.151 N/A VAL 160.A N LYS 157.A O no hydrogen 2.813 N/A VAL 161.A N LYS 157.A O no hydrogen 2.881 N/A ALA 162.A N THR 158.A O no hydrogen 2.714 N/A ILE 163.A N THR 159.A O no hydrogen 3.316 N/A PHE 164.A N VAL 160.A O no hydrogen 2.975 N/A LEU 165.A N VAL 161.A O no hydrogen 3.013 N/A ALA 166.A N ALA 162.A O no hydrogen 2.810 N/A HIS 167.A N ILE 163.A O no hydrogen 2.821 N/A PHE 168.A N PHE 164.A O no hydrogen 2.814 N/A VAL 169.A N LEU 165.A O no hydrogen 3.200 N/A CYS 170.A N ALA 166.A O no hydrogen 2.965 N/A CYS 170.A SG ALA 166.A O no hydrogen 3.183 N/A PHE 171.A N PHE 168.A O no hydrogen 3.336 N/A ASN 172.A ND2 PHE 168.A O no hydrogen 2.639 N/A ASP 174.A N ASN 221.A O no hydrogen 3.207 N/A LYS 175.A N SER 223.A OG no hydrogen 3.123 N/A VAL 177.A N SER 224.A O no hydrogen 2.738 N/A GLY 178.A N MET 242.A O no hydrogen 2.993 N/A ILE 179.A N GLY 226.A O no hydrogen 2.708 N/A LEU 180.A N TYR 244.A O no hydrogen 2.808 N/A ALA 181.A N TYR 228.A O no hydrogen 3.086 N/A HIS 182.A N ASP 247.A OD1 no hydrogen 3.472 N/A LYS 183.A NZ HIS 182.A NE2 no hydrogen 3.305 N/A MET 186.A N LYS 183.A O no hydrogen 3.254 N/A SER 187.A OG GLY 184.A O no hydrogen 3.017 N/A SER 187.A OG TYR 228.A O no hydrogen 3.152 N/A ALA 188.A N GLY 184.A O no hydrogen 2.953 N/A GLU 189.A N SER 185.A O no hydrogen 3.084 N/A VAL 190.A N MET 186.A O no hydrogen 3.245 N/A LEU 191.A N SER 187.A O no hydrogen 3.331 N/A ASP 192.A N ALA 188.A O no hydrogen 3.037 N/A ARG 193.A N GLU 189.A O no hydrogen 3.293 N/A ARG 193.A NH1 THR 159.A OG1 no hydrogen 2.877 N/A THR 194.A N VAL 190.A O no hydrogen 3.085 N/A THR 194.A OG1 VAL 190.A O no hydrogen 3.257 N/A LYS 195.A N LEU 191.A O no hydrogen 2.774 N/A LYS 195.A NZ ASN 213.A O no hydrogen 2.986 N/A GLN 196.A N ASP 192.A O no hydrogen 2.820 N/A ALA 197.A N ARG 193.A O no hydrogen 2.981 N/A ILE 198.A N THR 194.A O no hydrogen 2.868 N/A GLU 199.A N LYS 195.A O no hydrogen 2.818 N/A LEU 200.A N ALA 197.A O no hydrogen 3.158 N/A LEU 201.A N ILE 198.A O no hydrogen 3.263 N/A ASP 203.A N TYR 68.A O no hydrogen 2.830 N/A LEU 205.A N PRO 202.A O no hydrogen 3.142 N/A GLN 206.A N PRO 202.A O no hydrogen 2.956 N/A GLN 206.A N ASP 203.A O no hydrogen 3.262 N/A GLN 206.A NE2 ASN 83.A O no hydrogen 2.973 N/A GLN 206.A NE2 ILE 198.A O no hydrogen 2.780 N/A ILE 209.A N LYS 85.A O no hydrogen 3.082 N/A VAL 210.A N GLU 218.A O no hydrogen 2.726 N/A GLU 211.A N GLU 218.A O no hydrogen 3.098 N/A ASN 213.A N SER 216.A O no hydrogen 2.879 N/A ILE 217.A N ILE 225.A O no hydrogen 2.954 N/A GLU 218.A N GLU 211.A O no hydrogen 2.774 N/A LEU 219.A N SER 223.A O no hydrogen 2.999 N/A ASP 220.A N GLY 208.A O no hydrogen 2.698 N/A ASN 221.A ND2 VAL 169.A O no hydrogen 2.784 N/A GLY 222.A N LEU 219.A O no hydrogen 2.983 N/A SER 223.A N ASN 221.A OD1 no hydrogen 2.889 N/A SER 223.A OG ASN 172.A O no hydrogen 2.624 N/A SER 223.A OG LYS 175.A O no hydrogen 3.487 N/A SER 224.A N LYS 175.A O no hydrogen 2.962 N/A ILE 225.A N ILE 217.A O no hydrogen 3.100 N/A GLY 226.A N VAL 177.A O no hydrogen 2.693 N/A ALA 227.A N GLY 215.A O no hydrogen 2.768 N/A TYR 228.A N ILE 179.A O no hydrogen 2.797 N/A SER 230.A N ALA 181.A O no hydrogen 2.583 N/A SER 231.A OG ALA 229.A O no hydrogen 3.541 N/A ALA 234.A N SER 231.A OG no hydrogen 3.166 N/A ARG 236.A N PRO 232.A O no hydrogen 3.456 N/A ARG 236.A NE PRO 232.A O no hydrogen 2.978 N/A GLY 237.A N ASP 233.A O no hydrogen 3.027 N/A ASN 238.A ND2 ALA 234.A O no hydrogen 2.774 N/A ALA 241.A N ALA 176.A O no hydrogen 2.721 N/A MET 242.A N ALA 176.A O no hydrogen 3.180 N/A ILE 243.A N LYS 272.A O no hydrogen 3.061 N/A TYR 244.A N GLY 178.A O no hydrogen 3.073 N/A TYR 244.A OH THR 276.A OG1 no hydrogen 2.757 N/A ILE 245.A N ILE 274.A O no hydrogen 2.903 N/A GLU 246.A N LEU 180.A O no hydrogen 2.718 N/A ASP 247.A N GLU 246.A OE2 no hydrogen 3.190 N/A CYS 248.A SG HIS 284.A NE2 no hydrogen 4.043 N/A ALA 249.A N THR 277.A OG1 no hydrogen 3.262 N/A PHE 250.A N ASP 247.A O no hydrogen 2.815 N/A ILE 251.A N CYS 248.A O no hydrogen 3.258 N/A TRP 258.A N PHE 254.A O no hydrogen 2.639 N/A LEU 259.A N HIS 255.A O no hydrogen 2.995 N/A ALA 260.A N ASP 256.A O no hydrogen 3.052 N/A ILE 261.A N SER 257.A O no hydrogen 3.187 N/A ILE 261.A N TRP 258.A O no hydrogen 3.078 N/A GLN 262.A N TRP 258.A O no hydrogen 3.196 N/A ILE 265.A N ILE 261.A O no hydrogen 3.290 N/A ILE 265.A N GLN 262.A O no hydrogen 3.151 N/A SER 266.A N GLN 262.A O no hydrogen 2.597 N/A SER 271.A OG PHE 240.A O no hydrogen 3.461 N/A SER 271.A OG VAL 264.A O no hydrogen 3.269 N/A LYS 272.A N ALA 241.A O no hydrogen 3.072 N/A LYS 272.A NZ MET 141.A O no hydrogen 2.812 N/A LYS 272.A NZ SER 142.A O no hydrogen 2.636 N/A LYS 272.A NZ LYS 144.A O no hydrogen 3.493 N/A ILE 273.A N ARG 145.A O no hydrogen 3.003 N/A ILE 274.A N ILE 243.A O no hydrogen 2.959 N/A ILE 275.A N THR 147.A O no hydrogen 2.823 N/A THR 276.A N ILE 245.A O no hydrogen 3.321 N/A THR 276.A OG1 TYR 244.A OH no hydrogen 2.757 N/A THR 277.A N CYS 149.A O no hydrogen 3.116 N/A THR 277.A OG1 THR 278.A O no hydrogen 2.619 N/A ASN 280.A ND2 ALA 249.A O no hydrogen 3.255 N/A ASN 283.A ND2 ALA 249.A O no hydrogen 2.754 N/A HIS 284.A NE2 CYS 248.A O no hydrogen 2.982 N/A PHE 285.A N ASN 283.A OD1 no hydrogen 3.061 N/A ILE 288.A N HIS 284.A O no hydrogen 3.239 N/A TRP 289.A N PHE 285.A O no hydrogen 2.803 N/A THR 290.A N TYR 286.A O no hydrogen 2.917 N/A THR 290.A OG1 TYR 286.A O no hydrogen 2.725 N/A ALA 291.A N ASP 287.A O no hydrogen 3.142 N/A ALA 292.A N ILE 288.A O no hydrogen 2.987 N/A VAL 293.A N TRP 289.A O no hydrogen 2.739 N/A GLU 294.A N THR 290.A O no hydrogen 2.777 N/A GLY 295.A N ALA 292.A O no hydrogen 3.022 N/A LYS 296.A N ALA 291.A O no hydrogen 2.651 N/A LYS 296.A NZ GLU 294.A OE1 no hydrogen 3.061 N/A LYS 296.A NZ SER 492.A OG no hydrogen 3.198 N/A SER 297.A N ALA 291.A O no hydrogen 3.044 N/A GLU 300.A N MET 146.A O no hydrogen 2.808 N/A TYR 302.A N VAL 148.A O no hydrogen 2.968 N/A THR 303.A OG1 ASN 150.A O no hydrogen 2.811 N/A TRP 306.A N HIS 343.A O no hydrogen 3.141 N/A SER 308.A N ILE 305.A O no hydrogen 2.958 N/A SER 308.A OG ILE 305.A O no hydrogen 3.141 N/A VAL 309.A N TRP 306.A O no hydrogen 3.060 N/A LYS 310.A NZ ASP 35.A OD2 no hydrogen 3.490 N/A LYS 310.A NZ ASN 307.A O no hydrogen 2.962 N/A ARG 312.A N VAL 309.A O no hydrogen 3.157 N/A ARG 312.A NH1 TRP 306.A O no hydrogen 3.334 N/A ARG 312.A NH2 GLN 154.A O no hydrogen 2.745 N/A LEU 313.A N LYS 310.A O no hydrogen 3.340 N/A TYR 314.A N GLU 311.A O no hydrogen 3.368 N/A TYR 314.A OH PRO 40.A O no hydrogen 2.630 N/A ASN 315.A N ILE 319.A O no hydrogen 2.982 N/A ASP 316.A N GLN 325.A OE1 no hydrogen 3.126 N/A ASP 318.A N ASN 315.A O no hydrogen 2.781 N/A ILE 319.A N ASN 315.A OD1 no hydrogen 2.956 N/A PHE 320.A N GLU 41.A O no hydrogen 2.666 N/A ASP 321.A N LEU 313.A O no hydrogen 2.942 N/A GLY 323.A N ASP 321.A OD1 no hydrogen 2.935 N/A TRP 324.A N ASP 321.A O no hydrogen 3.150 N/A TRP 324.A N ASP 321.A OD1 no hydrogen 3.269 N/A GLN 325.A N ASP 321.A OD2 no hydrogen 2.693 N/A SER 327.A N GLY 323.A O no hydrogen 3.228 N/A SER 327.A OG HIS 3.A NE2 no hydrogen 2.840 N/A SER 327.A OG GLY 323.A O no hydrogen 2.600 N/A SER 327.A OG TRP 324.A O no hydrogen 2.740 N/A ILE 328.A N TRP 324.A O no hydrogen 3.338 N/A GLN 329.A N GLN 325.A O no hydrogen 2.715 N/A GLN 329.A NE2 ASP 316.A OD1 no hydrogen 3.084 N/A THR 330.A N TRP 326.A O no hydrogen 2.791 N/A THR 330.A OG1 TRP 326.A O no hydrogen 2.701 N/A ILE 331.A N SER 327.A O no hydrogen 2.847 N/A ASN 332.A N ILE 328.A O no hydrogen 2.907 N/A SER 334.A OG THR 330.A O no hydrogen 2.399 N/A SER 334.A OG ILE 331.A O no hydrogen 3.190 N/A PHE 339.A N SER 335.A O no hydrogen 2.810 N/A ARG 340.A N LEU 336.A O no hydrogen 3.091 N/A GLN 341.A N ALA 337.A O no hydrogen 3.316 N/A GLU 342.A N GLN 338.A O no hydrogen 2.679 N/A HIS 343.A N PHE 339.A O no hydrogen 2.611 N/A THR 344.A OG1 ARG 340.A O no hydrogen 2.707 N/A THR 350.A N GLU 348.A O no hydrogen 2.840 N/A THR 350.A OG1 SER 351.A O no hydrogen 2.830 N/A SER 351.A OG THR 353.A OG1 no hydrogen 3.086 N/A THR 353.A OG1 SER 351.A OG no hydrogen 3.086 N/A THR 353.A OG1 ILE 355.A O no hydrogen 2.675 N/A LEU 354.A N PHE 517.A O no hydrogen 3.207 N/A SER 356.A N GLU 499.A OE2 no hydrogen 3.136 N/A LYS 359.A N SER 356.A O no hydrogen 2.821 N/A LYS 359.A NZ ASP 501.A OD1 no hydrogen 2.618 N/A LYS 359.A NZ ASP 501.A OD2 no hydrogen 3.286 N/A LEU 360.A N SER 356.A O no hydrogen 2.938 N/A VAL 362.A N LYS 359.A O no hydrogen 3.178 N/A PHE 365.A N ASP 364.A OD1 no hydrogen 2.914 N/A ILE 366.A N HIS 506.A O no hydrogen 2.799 N/A ASP 371.A N PHE 375.A O no hydrogen 2.974 N/A HIS 373.A ND1 TYR 437.A OH no hydrogen 3.018 N/A HIS 376.A N VAL 419.A O no hydrogen 2.652 N/A HIS 376.A ND1 VAL 419.A O no hydrogen 3.256 N/A GLN 377.A NE2 GLU 440.A OE1 no hydrogen 2.841 N/A GLN 377.A NE2 TYR 441.A OH no hydrogen 2.801 N/A PHE 378.A N VAL 417.A O no hydrogen 2.808 N/A LYS 379.A N VAL 417.A O no hydrogen 3.271 N/A GLU 382.A N TYR 387.A OH no hydrogen 2.771 N/A ARG 385.A N GLU 382.A O no hydrogen 3.246 N/A ARG 385.A NH1 ASP 408.A OD1 no hydrogen 3.036 N/A ARG 385.A NH2 ASP 411.A OD1 no hydrogen 3.305 N/A LYS 386.A N THR 410.A OG1 no hydrogen 2.968 N/A LYS 386.A NZ ASP 552.A OD1 no hydrogen 2.892 N/A ILE 388.A N ILE 407.A O no hydrogen 2.817 N/A ALA 389.A N PRO 445.A O no hydrogen 2.885 N/A THR 390.A N HIS 405.A O no hydrogen 2.955 N/A THR 390.A OG1 SER 537.A O no hydrogen 3.014 N/A LEU 391.A N TYR 447.A O no hydrogen 3.095 N/A ASP 392.A N ALA 403.A O no hydrogen 2.866 N/A SER 394.A N HIS 402.A ND1 no hydrogen 3.073 N/A SER 394.A OG ASP 400.A O no hydrogen 2.604 N/A SER 394.A OG ASP 400.A OD2 no hydrogen 3.265 N/A ARG 397.A NH1 ASN 423.A O no hydrogen 3.275 N/A GLY 398.A N ASP 400.A O no hydrogen 2.978 N/A ASP 400.A N GLY 396.A O no hydrogen 3.228 N/A TYR 401.A N ASP 533.A OD2 no hydrogen 2.989 N/A HIS 402.A N SER 422.A O no hydrogen 2.705 N/A HIS 402.A NE2 ILE 425.A O no hydrogen 2.815 N/A ALA 403.A N ASP 392.A O no hydrogen 2.898 N/A LEU 404.A N LEU 420.A O no hydrogen 2.842 N/A HIS 405.A N THR 390.A O no hydrogen 2.918 N/A HIS 405.A NE2 LEU 534.A O no hydrogen 2.681 N/A ILE 406.A N GLY 418.A O no hydrogen 2.677 N/A ILE 407.A N ILE 388.A O no hydrogen 2.679 N/A ASP 408.A N GLU 415.A O no hydrogen 2.521 N/A VAL 409.A N LYS 386.A O no hydrogen 2.786 N/A THR 410.A N ASP 408.A OD1 no hydrogen 3.190 N/A THR 410.A OG1 LYS 386.A O no hydrogen 3.540 N/A THR 410.A OG1 ASP 408.A OD1 no hydrogen 2.673 N/A TRP 414.A N LYS 502.A O no hydrogen 2.585 N/A GLU 415.A N ASP 408.A O no hydrogen 3.034 N/A GLN 416.A N ILE 504.A O no hydrogen 2.952 N/A GLN 416.A NE2 HIS 405.A ND1 no hydrogen 3.025 N/A VAL 417.A N ILE 406.A O no hydrogen 2.774 N/A GLY 418.A N ILE 406.A O no hydrogen 3.348 N/A VAL 419.A N HIS 376.A O no hydrogen 2.912 N/A LEU 420.A N LEU 404.A O no hydrogen 2.811 N/A HIS 421.A N GLY 374.A O no hydrogen 2.950 N/A SER 422.A N HIS 402.A O no hydrogen 3.198 N/A THR 424.A N SER 422.A OG no hydrogen 3.223 N/A THR 424.A OG1 SER 422.A OG no hydrogen 3.073 N/A ILE 425.A N SER 422.A OG no hydrogen 3.302 N/A LEU 428.A N SER 426.A OG no hydrogen 3.174 N/A ILE 429.A N SER 426.A O no hydrogen 3.242 N/A ILE 433.A N ILE 429.A O no hydrogen 3.511 N/A VAL 434.A N LEU 430.A O no hydrogen 2.792 N/A MET 435.A N PRO 431.A O no hydrogen 2.941 N/A ARG 436.A N ASP 432.A O no hydrogen 3.181 N/A TYR 437.A N VAL 434.A O no hydrogen 3.087 N/A TYR 437.A OH ASP 371.A OD2 no hydrogen 2.521 N/A TYR 437.A OH HIS 373.A ND1 no hydrogen 3.018 N/A LEU 438.A N VAL 434.A O no hydrogen 3.027 N/A VAL 439.A N MET 435.A O no hydrogen 2.696 N/A GLU 440.A N ARG 436.A O no hydrogen 2.964 N/A TYR 441.A N TYR 437.A O no hydrogen 3.083 N/A TYR 441.A OH LYS 379.A O no hydrogen 3.147 N/A ASN 442.A ND2 GLU 382.A O no hydrogen 2.732 N/A ASN 442.A ND2 ARG 385.A O no hydrogen 2.994 N/A CYS 444.A N LEU 438.A O no hydrogen 2.588 N/A CYS 444.A SG PRO 445.A O no hydrogen 3.410 N/A VAL 446.A N GLY 469.A O no hydrogen 2.841 N/A TYR 447.A N ALA 389.A O no hydrogen 2.701 N/A TYR 447.A OH ASP 473.A OD1 no hydrogen 2.655 N/A GLU 449.A N LEU 391.A O no hydrogen 2.894 N/A LEU 450.A N MET 480.A O no hydrogen 2.911 N/A ASN 451.A N GLU 449.A O no hydrogen 2.889 N/A ASN 451.A ND2 CYS 393.A O no hydrogen 2.885 N/A GLY 454.A N ASN 451.A OD1 no hydrogen 2.729 N/A VAL 455.A N ASN 451.A O no hydrogen 2.898 N/A VAL 457.A N THR 453.A O no hydrogen 2.981 N/A ALA 458.A N GLY 454.A O no hydrogen 2.722 N/A LYS 459.A N VAL 455.A O no hydrogen 3.089 N/A SER 460.A N SER 456.A O no hydrogen 3.190 N/A LEU 461.A N VAL 457.A O no hydrogen 3.033 N/A TYR 462.A N ALA 458.A O no hydrogen 2.996 N/A MET 463.A N LYS 459.A O no hydrogen 2.836 N/A LEU 465.A N SER 460.A O no hydrogen 2.640 N/A TYR 467.A N LEU 461.A O no hydrogen 2.768 N/A TYR 467.A OH CYS 444.A O no hydrogen 2.558 N/A ILE 471.A N VAL 446.A O no hydrogen 2.711 N/A CYS 472.A SG VAL 470.A O no hydrogen 3.276 N/A ASP 473.A N GLY 479.A O no hydrogen 3.425 N/A SER 474.A N ASP 477.A O no hydrogen 3.484 N/A SER 474.A OG THR 476.A OG1 no hydrogen 3.081 N/A THR 476.A OG1 SER 474.A OG no hydrogen 3.081 N/A ASP 477.A N SER 474.A OG no hydrogen 2.938 N/A MET 480.A N ILE 448.A O no hydrogen 2.617 N/A LYS 481.A N ASP 473.A OD2 no hydrogen 3.184 N/A THR 483.A N THR 486.A OG1 no hydrogen 3.028 N/A THR 483.A OG1 THR 486.A OG1 no hydrogen 3.326 N/A THR 486.A N THR 483.A OG1 no hydrogen 2.881 N/A THR 486.A OG1 THR 483.A O no hydrogen 2.838 N/A THR 486.A OG1 THR 483.A OG1 no hydrogen 3.326 N/A LYS 487.A N THR 483.A O no hydrogen 3.335 N/A LYS 487.A NZ SER 523.A OG no hydrogen 3.151 N/A LYS 487.A NZ TRP 524.A O no hydrogen 2.824 N/A ALA 488.A N LYS 484.A O no hydrogen 3.077 N/A VAL 489.A N ARG 485.A O no hydrogen 2.838 N/A GLY 490.A N THR 486.A O no hydrogen 2.778 N/A CYS 491.A N LYS 487.A O no hydrogen 2.826 N/A CYS 491.A SG LYS 487.A O no hydrogen 3.253 N/A SER 492.A N ALA 488.A O no hydrogen 2.997 N/A SER 492.A OG GLU 294.A OE1 no hydrogen 2.765 N/A THR 493.A N VAL 489.A O no hydrogen 2.761 N/A THR 493.A OG1 VAL 489.A O no hydrogen 2.664 N/A LEU 494.A N GLY 490.A O no hydrogen 2.895 N/A LYS 495.A N CYS 491.A O no hydrogen 2.853 N/A LYS 495.A NZ GLU 499.A OE1 no hydrogen 2.815 N/A LYS 495.A NZ GLU 499.A OE2 no hydrogen 2.955 N/A ASP 496.A N SER 492.A O no hydrogen 3.258 N/A LEU 497.A N THR 493.A O no hydrogen 2.824 N/A ILE 498.A N LEU 494.A O no hydrogen 2.961 N/A GLU 499.A N LYS 495.A O no hydrogen 2.943 N/A LYS 500.A N ASP 496.A O no hydrogen 2.833 N/A LYS 502.A N LEU 497.A O no hydrogen 2.939 N/A LEU 503.A N LEU 497.A O no hydrogen 3.076 N/A ILE 504.A N TRP 414.A O no hydrogen 2.778 N/A HIS 506.A N GLN 416.A OE1 no hydrogen 2.689 N/A HIS 506.A NE2 GLU 415.A OE2 no hydrogen 2.646 N/A HIS 507.A N GLN 416.A OE1 no hydrogen 2.818 N/A HIS 507.A ND1 THR 510.A OG1 no hydrogen 2.689 N/A THR 510.A N HIS 507.A O no hydrogen 2.980 N/A THR 510.A OG1 HIS 507.A ND1 no hydrogen 2.689 N/A ILE 511.A N HIS 507.A O no hydrogen 3.032 N/A GLN 512.A N ARG 508.A O no hydrogen 2.762 N/A GLU 513.A N ALA 509.A O no hydrogen 3.032 N/A GLU 513.A N THR 510.A O no hydrogen 3.118 N/A PHE 514.A N THR 510.A O no hydrogen 3.091 N/A ARG 515.A N ILE 511.A O no hydrogen 3.183 N/A ARG 515.A NH1 GLN 512.A OE1 no hydrogen 2.925 N/A ARG 515.A NH2 LEU 360.A O no hydrogen 2.866 N/A THR 516.A N GLU 513.A O no hydrogen 3.257 N/A SER 518.A N ALA 525.A O no hydrogen 2.893 N/A SER 518.A OG GLU 527.A OE2 no hydrogen 2.405 N/A GLU 519.A N GLY 352.A O no hydrogen 3.128 N/A LYS 520.A N SER 523.A O no hydrogen 2.770 N/A SER 523.A N LYS 520.A O no hydrogen 2.935 N/A ALA 525.A N SER 518.A O no hydrogen 3.042 N/A GLU 527.A N THR 516.A O no hydrogen 3.203 N/A TYR 530.A N GLU 527.A O no hydrogen 3.011 N/A LEU 534.A N GLU 513.A OE1 no hydrogen 2.889 N/A VAL 535.A N GLU 513.A OE1 no hydrogen 3.432 N/A MET 536.A N ASP 532.A O no hydrogen 2.665 N/A SER 537.A N ASP 533.A O no hydrogen 3.109 N/A SER 537.A OG ALA 403.A O no hydrogen 2.724 N/A LEU 538.A N LEU 534.A O no hydrogen 3.360 N/A VAL 539.A N VAL 535.A O no hydrogen 2.874 N/A ILE 540.A N MET 536.A O no hydrogen 3.221 N/A PHE 541.A N SER 537.A O no hydrogen 3.448 N/A GLY 542.A N LEU 538.A O no hydrogen 2.820 N/A TRP 543.A N VAL 539.A O no hydrogen 2.895 N/A LEU 544.A N ILE 540.A O no hydrogen 2.875 N/A SER 545.A N PHE 541.A O no hydrogen 2.692 N/A THR 546.A N TRP 543.A O no hydrogen 3.163 N/A THR 546.A OG1 TRP 543.A O no hydrogen 2.674 N/A GLN 547.A N LEU 544.A O no hydrogen 2.886 N/A GLN 547.A NE2 TYR 447.A OH no hydrogen 2.803 N/A GLN 547.A NE2 TRP 543.A O no hydrogen 3.669 N/A LYS 549.A NZ CYS 472.A O no hydrogen 2.771 N/A PHE 550.A N GLN 547.A O no hydrogen 3.132 N/A ILE 551.A N SER 548.A O no hydrogen 3.141 N/A ASP 552.A N LYS 549.A O no hydrogen 3.413 N/A TYR 553.A N PHE 550.A O no hydrogen 3.317 N/A