Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cr9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N SER 33.A O no hydrogen 3.407 N/A ARG 7.A N ASP 55.A OD2 no hydrogen 2.700 N/A ARG 7.A NE ASP 55.A OD2 no hydrogen 2.842 N/A ARG 7.A NH1 ASN 52.A O no hydrogen 2.521 N/A ARG 7.A NH2 ASN 52.A O no hydrogen 3.448 N/A ARG 7.A NH2 ASP 55.A OD1 no hydrogen 2.659 N/A TRP 8.A N SER 35.A O no hydrogen 2.771 N/A CYS 9.A N ALA 56.A O no hydrogen 3.177 N/A THR 10.A N ILE 37.A O no hydrogen 2.855 N/A THR 10.A OG1 ILE 37.A O no hydrogen 3.023 N/A ILE 11.A N GLU 15.A OE1 no hydrogen 3.328 N/A ALA 16.A N SER 12.A O no hydrogen 2.817 N/A ALA 17.A N PRO 13.A O no hydrogen 2.905 N/A LYS 18.A N ALA 14.A O no hydrogen 3.128 N/A LYS 18.A NZ LEU 288.A O no hydrogen 2.887 N/A LYS 18.A NZ GLY 290.A O no hydrogen 2.879 N/A LYS 18.A NZ SER 291.A OG no hydrogen 3.068 N/A LYS 18.A NZ LEU 298.A O no hydrogen 2.816 N/A CYS 19.A N GLU 15.A O no hydrogen 2.900 N/A ALA 20.A N ALA 16.A O no hydrogen 2.698 N/A LYS 21.A N ALA 17.A O no hydrogen 2.906 N/A PHE 22.A N LYS 18.A O no hydrogen 2.805 N/A GLN 23.A N CYS 19.A O no hydrogen 2.740 N/A GLN 23.A NE2 VAL 34.A O no hydrogen 2.943 N/A ARG 24.A N ALA 20.A O no hydrogen 2.755 N/A ASN 25.A N LYS 21.A O no hydrogen 2.997 N/A ASN 25.A ND2 ALA 285.A O no hydrogen 3.365 N/A MET 26.A N PHE 22.A O no hydrogen 3.066 N/A MET 26.A N GLN 23.A O no hydrogen 3.131 N/A LYS 27.A N GLN 23.A O no hydrogen 3.080 N/A LYS 28.A N ARG 24.A O no hydrogen 3.058 N/A VAL 29.A N MET 26.A O no hydrogen 3.150 N/A ARG 30.A N LYS 27.A O no hydrogen 3.017 N/A GLY 31.A N MET 26.A O no hydrogen 3.239 N/A ILE 37.A N TRP 8.A O no hydrogen 2.919 N/A LYS 39.A N THR 10.A O no hydrogen 2.964 N/A THR 40.A N GLU 44.A OE1 no hydrogen 2.847 N/A THR 40.A OG1 GLU 44.A OE1 no hydrogen 3.320 N/A THR 40.A OG1 GLU 44.A OE2 no hydrogen 2.859 N/A GLU 44.A N SER 41.A OG no hydrogen 3.266 N/A CYS 45.A N SER 41.A O no hydrogen 3.035 N/A CYS 45.A SG THR 10.A O no hydrogen 3.844 N/A CYS 45.A SG SER 41.A O no hydrogen 3.956 N/A ILE 46.A N SER 42.A O no hydrogen 3.049 N/A GLN 47.A N PHE 43.A O no hydrogen 3.339 N/A ALA 48.A N GLU 44.A O no hydrogen 2.730 N/A ILE 49.A N CYS 45.A O no hydrogen 2.594 N/A ALA 50.A N ILE 46.A O no hydrogen 3.236 N/A ALA 51.A N GLN 47.A O no hydrogen 3.213 N/A ALA 51.A N ALA 48.A O no hydrogen 3.019 N/A ASN 52.A N ILE 49.A O no hydrogen 3.082 N/A ASN 52.A ND2 ASN 52.A O no hydrogen 2.546 N/A LYS 53.A N ALA 48.A O no hydrogen 3.010 N/A ASP 55.A N ARG 7.A O no hydrogen 2.885 N/A ALA 56.A N ARG 7.A O no hydrogen 3.307 N/A THR 58.A OG1 LEU 299.A O no hydrogen 2.551 N/A LEU 59.A N ALA 254.A O no hydrogen 2.743 N/A GLY 62.A N ASP 60.A OD2 no hydrogen 3.246 N/A LEU 63.A N ASP 60.A O no hydrogen 2.900 N/A VAL 64.A N ASP 60.A O no hydrogen 3.130 N/A TYR 65.A N GLY 61.A O no hydrogen 3.222 N/A ALA 67.A N LEU 63.A O no hydrogen 2.710 N/A GLY 68.A N VAL 64.A O no hydrogen 2.970 N/A GLY 68.A N TYR 65.A O no hydrogen 2.814 N/A LEU 69.A N GLU 66.A O no hydrogen 2.746 N/A TYR 72.A N LEU 69.A O no hydrogen 3.032 N/A LYS 73.A N LEU 69.A O no hydrogen 3.047 N/A LEU 74.A N ALA 67.A O no hydrogen 3.121 N/A ARG 75.A N ALA 257.A O no hydrogen 2.821 N/A ARG 75.A NE GLU 264.A OE1 no hydrogen 3.526 N/A ARG 75.A NE GLU 264.A OE2 no hydrogen 2.479 N/A ARG 75.A NH2 GLU 264.A OE1 no hydrogen 3.212 N/A ARG 75.A NH2 ILE 310.A O no hydrogen 3.137 N/A VAL 77.A N VAL 255.A O no hydrogen 2.592 N/A ALA 78.A N VAL 255.A O no hydrogen 3.367 N/A ALA 79.A N VAL 308.A O no hydrogen 3.008 N/A GLU 80.A N HIS 253.A O no hydrogen 3.287 N/A VAL 81.A N GLY 306.A O no hydrogen 2.904 N/A TYR 82.A N GLN 89.A O no hydrogen 2.900 N/A TYR 82.A OH GLU 80.A OE1 no hydrogen 2.578 N/A GLN 89.A N TYR 82.A O no hydrogen 2.452 N/A ARG 91.A NH1 LEU 687.A O no hydrogen 2.538 N/A TYR 92.A N VAL 250.A O no hydrogen 2.799 N/A TYR 93.A N ASP 211.A OD2 no hydrogen 2.933 N/A ALA 94.A N ALA 248.A O no hydrogen 2.731 N/A VAL 95.A N VAL 209.A O no hydrogen 2.824 N/A VAL 97.A N ALA 207.A O no hydrogen 2.622 N/A VAL 98.A N GLU 228.A O no hydrogen 2.866 N/A LYS 99.A NZ LEU 199.A O no hydrogen 3.025 N/A LYS 100.A N LYS 226.A O no hydrogen 3.205 N/A LYS 100.A NZ ASP 225.A O no hydrogen 2.665 N/A SER 102.A OG LYS 99.A O no hydrogen 2.722 N/A PHE 104.A N SER 102.A O no hydrogen 2.960 N/A GLN 108.A N GLN 105.A O no hydrogen 3.121 N/A GLN 108.A NE2 ASN 107.A OD1 no hydrogen 3.408 N/A GLY 111.A N PHE 152.A O no hydrogen 2.950 N/A VAL 112.A N LEU 109.A O no hydrogen 2.830 N/A LYS 113.A NZ GLY 202.A O no hydrogen 3.380 N/A LYS 113.A NZ ALA 203.A O no hydrogen 3.519 N/A SER 114.A N ALA 155.A O no hydrogen 3.041 N/A SER 114.A OG HIS 116.A NE2 no hydrogen 2.947 N/A SER 114.A OG SER 156.A OG no hydrogen 2.410 N/A CYS 115.A N VAL 206.A O no hydrogen 2.957 N/A HIS 116.A N CYS 157.A O no hydrogen 3.062 N/A HIS 116.A ND1 GLY 124.A O no hydrogen 2.689 N/A HIS 116.A NE2 SER 114.A OG no hydrogen 2.947 N/A LEU 119.A N PRO 159.A O no hydrogen 2.963 N/A SER 122.A N ASP 60.A OD2 no hydrogen 2.534 N/A SER 122.A OG ASP 60.A OD1 no hydrogen 3.532 N/A SER 122.A OG ASP 60.A OD2 no hydrogen 3.359 N/A SER 122.A OG TYR 324.A OH no hydrogen 2.642 N/A TRP 125.A N ARG 121.A O no hydrogen 2.814 N/A ASN 126.A N ARG 121.A O no hydrogen 2.938 N/A ASN 126.A ND2 TYR 324.A OH no hydrogen 3.514 N/A ILE 127.A N SER 122.A O no hydrogen 3.068 N/A ILE 129.A N TRP 125.A O no hydrogen 2.938 N/A THR 131.A N ILE 127.A O no hydrogen 3.085 N/A THR 131.A N PRO 128.A O no hydrogen 2.753 N/A THR 131.A OG1 ILE 127.A O no hydrogen 2.462 N/A LEU 132.A N PRO 128.A O no hydrogen 2.867 N/A ARG 133.A NH1 GLU 333.A O no hydrogen 3.518 N/A ARG 133.A NH2 GLU 333.A O no hydrogen 2.580 N/A TYR 135.A N LEU 132.A O no hydrogen 2.782 N/A LEU 136.A N ARG 133.A O no hydrogen 3.053 N/A TRP 138.A NE1 GLU 143.A O no hydrogen 2.519 N/A THR 139.A N GLU 143.A OE1 no hydrogen 3.078 N/A THR 139.A OG1 GLU 143.A OE1 no hydrogen 3.131 N/A GLU 143.A N GLY 140.A O no hydrogen 2.829 N/A LYS 147.A N PRO 144.A O no hydrogen 2.960 N/A ALA 148.A N LEU 145.A O no hydrogen 2.768 N/A VAL 149.A N LEU 145.A O no hydrogen 3.260 N/A ALA 150.A N GLN 146.A O no hydrogen 3.196 N/A ASN 151.A N ALA 148.A O no hydrogen 2.549 N/A PHE 152.A N ALA 148.A O no hydrogen 2.818 N/A PHE 152.A N VAL 149.A O no hydrogen 3.132 N/A PHE 153.A N VAL 149.A O no hydrogen 3.001 N/A SER 154.A N VAL 112.A O no hydrogen 3.009 N/A SER 154.A OG GLY 111.A O no hydrogen 3.083 N/A SER 156.A N ASN 168.A O no hydrogen 2.890 N/A SER 156.A OG SER 114.A O no hydrogen 3.272 N/A SER 156.A OG SER 114.A OG no hydrogen 2.410 N/A SER 156.A OG ALA 155.A O no hydrogen 3.049 N/A CYS 157.A N SER 114.A O no hydrogen 3.095 N/A CYS 157.A SG GLU 187.A OE2 no hydrogen 3.154 N/A VAL 158.A N LEU 169.A O no hydrogen 2.796 N/A CYS 160.A N CYS 181.A O no hydrogen 3.341 N/A ALA 161.A N VAL 158.A O no hydrogen 3.149 N/A ASP 162.A N GLN 146.A OE1 no hydrogen 3.214 N/A TYR 166.A N ASP 162.A O no hydrogen 2.870 N/A ASN 168.A ND2 PHE 153.A O no hydrogen 2.564 N/A LEU 169.A N TYR 166.A O no hydrogen 2.916 N/A CYS 170.A N PRO 167.A O no hydrogen 3.009 N/A CYS 170.A SG ALA 161.A O no hydrogen 3.564 N/A ARG 171.A N PRO 167.A O no hydrogen 2.794 N/A LEU 172.A N SER 156.A O no hydrogen 3.023 N/A CYS 173.A N CYS 170.A O no hydrogen 2.822 N/A LYS 180.A N THR 176.A O no hydrogen 3.251 N/A CYS 181.A N GLU 187.A OE1 no hydrogen 2.438 N/A CYS 181.A SG VAL 158.A O no hydrogen 3.617 N/A ALA 182.A N ASP 179.A O no hydrogen 3.008 N/A GLU 187.A N SER 184.A O no hydrogen 3.037 N/A TYR 189.A OH ASN 201.A OD1 no hydrogen 3.359 N/A PHE 190.A N GLU 187.A O no hydrogen 3.100 N/A GLY 191.A N THR 117.A O no hydrogen 2.921 N/A TYR 192.A OH TYR 92.A OH no hydrogen 2.918 N/A TYR 192.A OH HIS 253.A NE2 no hydrogen 2.549 N/A SER 193.A OG ASN 217.A OD1 no hydrogen 3.336 N/A ALA 195.A N GLY 191.A O no hydrogen 2.900 N/A PHE 196.A N TYR 192.A O no hydrogen 3.174 N/A LYS 197.A N SER 193.A O no hydrogen 2.973 N/A LYS 197.A NZ GLU 200.A OE1 no hydrogen 2.696 N/A CYS 198.A N GLY 194.A O no hydrogen 3.018 N/A LEU 199.A N ALA 195.A O no hydrogen 3.274 N/A LEU 199.A N PHE 196.A O no hydrogen 3.037 N/A GLU 200.A N PHE 196.A O no hydrogen 2.892 N/A ASN 201.A N LYS 197.A O no hydrogen 2.639 N/A GLY 202.A N LEU 199.A O no hydrogen 2.802 N/A ALA 203.A N CYS 198.A O no hydrogen 3.060 N/A GLY 204.A N CYS 198.A O no hydrogen 3.006 N/A ASP 205.A N LYS 113.A O no hydrogen 2.857 N/A ALA 207.A N VAL 97.A O no hydrogen 2.722 N/A PHE 208.A N CYS 115.A O no hydrogen 3.197 N/A VAL 209.A N VAL 95.A O no hydrogen 2.950 N/A LYS 210.A NZ ASP 211.A OD1 no hydrogen 3.013 N/A SER 212.A OG GLU 216.A OE2 no hydrogen 2.928 N/A GLU 216.A N SER 212.A O no hydrogen 2.883 N/A ASN 217.A N THR 213.A O no hydrogen 3.330 N/A ASN 217.A N VAL 214.A O no hydrogen 3.334 N/A ASN 217.A ND2 SER 193.A OG no hydrogen 3.349 N/A ASN 217.A ND2 THR 213.A O no hydrogen 2.656 N/A LEU 218.A N VAL 214.A O no hydrogen 2.931 N/A GLU 223.A N ASP 220.A O no hydrogen 2.823 N/A ARG 224.A N ASP 220.A O no hydrogen 3.340 N/A ASP 225.A N GLU 221.A O no hydrogen 3.264 N/A LYS 226.A N GLU 223.A O no hydrogen 3.132 N/A LYS 226.A NZ GLU 223.A OE1 no hydrogen 2.545 N/A TYR 227.A N ARG 224.A O no hydrogen 2.797 N/A GLU 228.A N VAL 98.A O no hydrogen 2.726 N/A LEU 229.A N LYS 237.A O no hydrogen 2.867 N/A LEU 230.A N ALA 96.A O no hydrogen 2.956 N/A CYS 231.A N THR 235.A O no hydrogen 2.934 N/A CYS 231.A SG THR 235.A O no hydrogen 3.579 N/A ARG 236.A NE PHE 104.A O no hydrogen 2.734 N/A ARG 236.A NH1 LYS 99.A O no hydrogen 3.276 N/A ARG 236.A NH1 SER 102.A OG no hydrogen 2.594 N/A ARG 236.A NH1 GLU 228.A OE1 no hydrogen 2.935 N/A ARG 236.A NH2 SER 102.A OG no hydrogen 2.475 N/A ARG 236.A NH2 PHE 104.A O no hydrogen 3.031 N/A LYS 237.A N LEU 229.A O no hydrogen 3.118 N/A LYS 237.A NZ THR 235.A OG1 no hydrogen 3.285 N/A ALA 241.A N PRO 238.A O no hydrogen 2.943 N/A LYS 243.A NZ ASP 240.A O no hydrogen 2.601 N/A GLU 244.A N ALA 241.A O no hydrogen 2.670 N/A CYS 245.A N ALA 241.A O no hydrogen 2.762 N/A CYS 245.A SG LEU 229.A O no hydrogen 3.429 N/A LEU 247.A N ALA 94.A O no hydrogen 3.002 N/A VAL 250.A N TYR 92.A O no hydrogen 2.730 N/A SER 252.A N THR 90.A O no hydrogen 2.684 N/A SER 252.A OG GLU 80.A O no hydrogen 2.914 N/A HIS 253.A N TYR 82.A OH no hydrogen 3.219 N/A ALA 254.A N LEU 59.A O no hydrogen 2.627 N/A VAL 255.A N ALA 78.A O no hydrogen 2.874 N/A VAL 256.A N VAL 57.A O no hydrogen 2.989 N/A ALA 257.A N ARG 75.A O no hydrogen 2.934 N/A SER 259.A OG LYS 73.A O no hydrogen 2.673 N/A ILE 267.A N ARG 263.A O no hydrogen 3.029 N/A TRP 268.A N GLU 264.A O no hydrogen 2.918 N/A LYS 269.A N ASP 265.A O no hydrogen 3.150 N/A LEU 270.A N LEU 266.A O no hydrogen 3.160 N/A LEU 271.A N ILE 267.A O no hydrogen 3.113 N/A HIS 272.A N TRP 268.A O no hydrogen 2.805 N/A ARG 273.A N LYS 269.A O no hydrogen 2.928 N/A ARG 273.A NH2 GLU 276.A OE1 no hydrogen 3.205 N/A ALA 274.A N LEU 270.A O no hydrogen 2.826 N/A GLN 275.A N LEU 271.A O no hydrogen 3.074 N/A GLU 276.A N HIS 272.A O no hydrogen 3.369 N/A GLU 277.A N ARG 273.A O no hydrogen 2.792 N/A PHE 278.A N ALA 274.A O no hydrogen 2.570 N/A GLY 279.A N GLN 275.A O no hydrogen 2.681 N/A ASN 281.A ND2 ASN 281.A O no hydrogen 2.063 N/A ALA 285.A N SER 283.A OG no hydrogen 2.790 N/A LEU 288.A N PHE 278.A O no hydrogen 3.153 N/A SER 291.A OG ASP 302.A OD1 no hydrogen 2.931 N/A THR 292.A OG1 GLU 295.A O no hydrogen 3.421 N/A THR 292.A OG1 GLU 295.A OE1 no hydrogen 2.497 N/A GLN 296.A NE2 PRO 293.A O no hydrogen 3.479 N/A LEU 298.A N SER 291.A OG no hydrogen 3.178 N/A PHE 300.A N LEU 298.A O no hydrogen 2.636 N/A LYS 301.A N GLU 80.A OE2 no hydrogen 3.223 N/A LYS 301.A NZ GLU 216.A OE1 no hydrogen 2.933 N/A LYS 301.A NZ GLU 216.A OE2 no hydrogen 2.657 N/A ASP 302.A N ASP 297.A OD1 no hydrogen 3.355 N/A SER 303.A N PHE 289.A O no hydrogen 2.688 N/A ALA 304.A N LYS 301.A O no hydrogen 3.076 N/A LEU 305.A N VAL 81.A O no hydrogen 2.864 N/A VAL 308.A N ALA 79.A O no hydrogen 3.060 N/A ILE 310.A N VAL 77.A O no hydrogen 2.682 N/A LEU 318.A N ASP 315.A OD1 no hydrogen 3.020 N/A TYR 319.A N ASP 315.A O no hydrogen 2.935 N/A TYR 319.A OH SER 252.A O no hydrogen 2.641 N/A LEU 320.A N SER 316.A O no hydrogen 2.851 N/A GLY 321.A N GLY 317.A O no hydrogen 2.940 N/A TYR 324.A OH SER 122.A OG no hydrogen 2.642 N/A LEU 325.A N GLY 321.A O no hydrogen 2.879 N/A THR 326.A N ALA 322.A O no hydrogen 2.692 N/A THR 326.A OG1 ALA 322.A O no hydrogen 3.422 N/A THR 326.A OG1 ASN 323.A O no hydrogen 2.847 N/A ALA 327.A N ASN 323.A O no hydrogen 3.389 N/A THR 328.A N TYR 324.A O no hydrogen 2.986 N/A THR 328.A OG1 TYR 324.A O no hydrogen 3.225 N/A GLN 329.A N LEU 325.A O no hydrogen 2.852 N/A ASN 330.A N THR 326.A O no hydrogen 2.603 N/A LEU 331.A N THR 328.A O no hydrogen 3.018 N/A ARG 332.A N GLN 329.A O no hydrogen 2.862 N/A ARG 332.A NH1 THR 328.A O no hydrogen 3.118 N/A THR 334.A N GLU 337.A OE2 no hydrogen 2.960 N/A THR 334.A OG1 GLU 337.A OE2 no hydrogen 3.337 N/A GLU 337.A N THR 334.A OG1 no hydrogen 2.951 N/A VAL 338.A N THR 334.A O no hydrogen 3.019 N/A ALA 339.A N ALA 335.A O no hydrogen 3.077 N/A ALA 340.A N ALA 336.A O no hydrogen 2.885 N/A ARG 341.A N GLU 337.A O no hydrogen 3.156 N/A ARG 341.A NH1 ARG 341.A O no hydrogen 3.013 N/A ARG 341.A NH1 ASP 390.A OD2 no hydrogen 2.780 N/A ARG 341.A NH2 GLY 387.A O no hydrogen 3.332 N/A ARG 341.A NH2 ASP 390.A OD1 no hydrogen 3.094 N/A ARG 341.A NH2 ASP 390.A OD2 no hydrogen 2.897 N/A ARG 342.A N VAL 338.A O no hydrogen 2.969 N/A ARG 342.A NH1 ASN 330.A OD1 no hydrogen 3.397 N/A GLU 343.A N ALA 339.A O no hydrogen 3.214 N/A GLU 343.A N ALA 340.A O no hydrogen 3.338 N/A ARG 344.A N ALA 340.A O no hydrogen 3.290 N/A VAL 345.A N LYS 368.A O no hydrogen 2.961 N/A TRP 347.A N ALA 370.A O no hydrogen 2.877 N/A CYS 348.A N ALA 391.A O no hydrogen 2.911 N/A CYS 348.A SG ALA 372.A O no hydrogen 3.562 N/A ALA 349.A N ALA 372.A O no hydrogen 2.544 N/A VAL 350.A N GLU 354.A OE1 no hydrogen 3.513 N/A GLY 351.A N ALA 374.A O no hydrogen 2.903 N/A GLU 354.A N GLY 351.A O no hydrogen 3.215 N/A GLU 355.A N GLY 351.A O no hydrogen 3.346 N/A ARG 356.A N PRO 352.A O no hydrogen 3.223 N/A LYS 357.A N GLU 353.A O no hydrogen 3.358 N/A LYS 357.A NZ LEU 631.A O no hydrogen 3.345 N/A LYS 357.A NZ LYS 633.A O no hydrogen 3.106 N/A LYS 357.A NZ LEU 639.A O no hydrogen 2.653 N/A CYS 358.A N GLU 354.A O no hydrogen 2.657 N/A LYS 359.A N GLU 355.A O no hydrogen 2.714 N/A GLN 360.A N ARG 356.A O no hydrogen 2.988 N/A TRP 361.A N LYS 357.A O no hydrogen 2.975 N/A SER 362.A N CYS 358.A O no hydrogen 2.741 N/A SER 362.A OG VAL 369.A O no hydrogen 2.574 N/A ASP 363.A N LYS 359.A O no hydrogen 2.987 N/A VAL 364.A N GLN 360.A O no hydrogen 2.965 N/A SER 365.A N SER 362.A O no hydrogen 3.027 N/A SER 365.A OG TRP 361.A O no hydrogen 2.600 N/A SER 365.A OG SER 362.A O no hydrogen 2.723 N/A ASN 366.A N ASP 363.A O no hydrogen 3.320 N/A ASN 366.A ND2 SER 365.A O no hydrogen 2.917 N/A ARG 367.A N SER 362.A O no hydrogen 3.076 N/A LYS 368.A N SER 365.A O no hydrogen 3.321 N/A ALA 370.A N VAL 345.A O no hydrogen 2.833 N/A ALA 372.A N TRP 347.A O no hydrogen 2.751 N/A SER 373.A OG GLU 355.A OE2 no hydrogen 2.432 N/A ALA 374.A N ALA 349.A O no hydrogen 3.090 N/A THR 376.A OG1 GLU 379.A OE2 no hydrogen 3.246 N/A CYS 380.A N THR 376.A O no hydrogen 3.266 N/A CYS 380.A SG ALA 349.A O no hydrogen 3.842 N/A ILE 381.A N THR 377.A O no hydrogen 3.155 N/A ALA 382.A N GLU 378.A O no hydrogen 2.894 N/A LEU 383.A N GLU 379.A O no hydrogen 2.823 N/A VAL 384.A N CYS 380.A O no hydrogen 2.872 N/A LEU 385.A N ILE 381.A O no hydrogen 2.967 N/A LYS 386.A N ALA 382.A O no hydrogen 2.794 N/A GLY 387.A N LEU 383.A O no hydrogen 2.958 N/A GLU 388.A N LEU 383.A O no hydrogen 2.957 N/A ASP 390.A N VAL 346.A O no hydrogen 2.536 N/A ALA 391.A N VAL 346.A O no hydrogen 3.276 N/A ASN 393.A ND2 GLU 413.A OE2 no hydrogen 3.012 N/A LEU 394.A N ALA 596.A O no hydrogen 2.617 N/A GLY 397.A N ASP 395.A OD2 no hydrogen 2.715 N/A PHE 398.A N ASP 395.A O no hydrogen 2.709 N/A ILE 399.A N ASP 395.A O no hydrogen 2.917 N/A ILE 399.A N GLY 396.A O no hydrogen 3.023 N/A TYR 400.A N GLY 396.A O no hydrogen 3.275 N/A ALA 402.A N PHE 398.A O no hydrogen 2.954 N/A GLY 403.A N ILE 399.A O no hydrogen 2.738 N/A LYS 404.A N TYR 400.A O no hydrogen 2.933 N/A LYS 404.A N VAL 401.A O no hydrogen 2.860 N/A LYS 404.A NZ TYR 657.A OH no hydrogen 2.521 N/A CYS 405.A N VAL 401.A O no hydrogen 3.042 N/A CYS 405.A N ALA 402.A O no hydrogen 3.189 N/A CYS 405.A SG VAL 401.A O no hydrogen 3.404 N/A GLY 406.A N GLY 403.A O no hydrogen 3.251 N/A LEU 407.A N ALA 402.A O no hydrogen 2.859 N/A VAL 408.A N SER 599.A O no hydrogen 2.971 N/A VAL 410.A N VAL 597.A O no hydrogen 2.818 N/A ALA 412.A N ALA 649.A O no hydrogen 2.954 N/A GLU 413.A N HIS 595.A O no hydrogen 3.255 N/A ASN 414.A N CYS 647.A O no hydrogen 2.893 N/A ASN 414.A ND2 CYS 425.A O no hydrogen 2.434 N/A ASN 414.A ND2 ARG 428.A O no hydrogen 3.380 N/A GLN 415.A NE2 GLY 432.A O no hydrogen 3.116 N/A LYS 416.A N ASN 644.A O no hydrogen 2.628 N/A SER 417.A N GLN 415.A O no hydrogen 2.388 N/A GLN 418.A N SER 417.A OG no hydrogen 1.910 N/A CYS 425.A SG GLU 646.A OE1 no hydrogen 3.613 N/A ARG 428.A N CYS 425.A O no hydrogen 3.362 N/A ARG 428.A NH2 ASP 424.A O no hydrogen 3.213 N/A ARG 428.A NH2 GLU 646.A OE1 no hydrogen 2.410 N/A ARG 428.A NH2 GLU 646.A OE2 no hydrogen 2.772 N/A GLY 432.A N ASN 594.A OD1 no hydrogen 2.774 N/A TYR 433.A N ALA 592.A O no hydrogen 2.981 N/A TYR 433.A OH HIS 595.A NE2 no hydrogen 3.337 N/A ALA 435.A N ALA 590.A O no hydrogen 2.728 N/A VAL 436.A N VAL 543.A O no hydrogen 2.484 N/A VAL 438.A N ALA 541.A O no hydrogen 2.760 N/A VAL 439.A N GLU 570.A O no hydrogen 3.287 N/A ARG 440.A NH1 ASP 443.A OD2 no hydrogen 2.233 N/A LYS 441.A N ASP 568.A O no hydrogen 2.877 N/A SER 442.A OG ASP 443.A OD1 no hydrogen 3.551 N/A THR 447.A OG1 GLY 576.A O no hydrogen 3.020 N/A SER 450.A N THR 447.A O no hydrogen 2.382 N/A LEU 451.A N TRP 448.A O no hydrogen 3.196 N/A GLY 453.A N PHE 486.A O no hydrogen 2.939 N/A LYS 454.A N LEU 451.A O no hydrogen 2.628 N/A SER 456.A N GLN 489.A O no hydrogen 3.001 N/A SER 456.A OG HIS 458.A NE2 no hydrogen 2.606 N/A SER 456.A OG SER 490.A OG no hydrogen 2.479 N/A CYS 457.A N VAL 540.A O no hydrogen 2.992 N/A HIS 458.A N CYS 491.A O no hydrogen 2.930 N/A VAL 461.A N PRO 493.A O no hydrogen 3.075 N/A ARG 463.A NH1 TYR 524.A OH no hydrogen 3.049 N/A THR 464.A N ASP 395.A OD2 no hydrogen 2.774 N/A THR 464.A OG1 ASP 395.A OD1 no hydrogen 3.395 N/A THR 464.A OG1 ASP 395.A OD2 no hydrogen 2.731 N/A THR 464.A OG1 TYR 665.A OH no hydrogen 2.721 N/A ASN 468.A ND2 TYR 665.A OH no hydrogen 2.810 N/A ILE 469.A N THR 464.A O no hydrogen 3.094 N/A ILE 469.A N ALA 466.A O no hydrogen 3.312 N/A MET 471.A N TRP 467.A O no hydrogen 2.800 N/A LEU 473.A N ILE 469.A O no hydrogen 3.315 N/A LEU 474.A N PRO 470.A O no hydrogen 2.815 N/A PHE 475.A N MET 471.A O no hydrogen 3.018 N/A THR 478.A N LEU 474.A O no hydrogen 2.889 N/A GLY 479.A N PHE 475.A O no hydrogen 2.799 N/A SER 480.A N THR 478.A OG1 no hydrogen 3.109 N/A PHE 483.A N CYS 481.A O no hydrogen 2.757 N/A LYS 485.A N LYS 482.A O no hydrogen 3.324 N/A SER 488.A N LYS 454.A O no hydrogen 3.087 N/A SER 490.A N SER 500.A O no hydrogen 3.002 N/A SER 490.A OG SER 456.A OG no hydrogen 2.479 N/A CYS 491.A N SER 456.A O no hydrogen 2.890 N/A GLY 494.A N CYS 515.A O no hydrogen 2.756 N/A ALA 495.A N ALA 492.A O no hydrogen 3.234 N/A SER 499.A N ASP 496.A O no hydrogen 2.620 N/A SER 500.A OG ASP 484.A O no hydrogen 2.982 N/A CYS 502.A N SER 499.A O no hydrogen 2.951 N/A CYS 502.A SG ALA 495.A O no hydrogen 3.623 N/A CYS 502.A SG ASP 496.A O no hydrogen 3.690 N/A ALA 503.A N SER 500.A O no hydrogen 2.972 N/A LEU 504.A N SER 490.A O no hydrogen 2.998 N/A VAL 506.A N GLU 521.A OE2 no hydrogen 2.718 N/A GLY 507.A N GLU 521.A OE1 no hydrogen 2.663 N/A GLY 507.A N GLU 521.A OE2 no hydrogen 3.199 N/A ASN 508.A N GLU 512.A O no hydrogen 2.779 N/A ASN 511.A N ASN 508.A O no hydrogen 3.089 N/A ASN 511.A ND2 ASN 509.A O no hydrogen 3.545 N/A CYS 515.A N GLU 521.A OE1 no hydrogen 2.609 N/A CYS 515.A SG ALA 492.A O no hydrogen 3.765 N/A ASN 518.A N MET 516.A O no hydrogen 2.964 N/A ASN 518.A ND2 SER 375.A O no hydrogen 2.520 N/A GLU 520.A N ASN 518.A OD1 no hydrogen 2.979 N/A GLU 521.A N ASN 518.A O no hydrogen 2.991 N/A ARG 522.A N GLY 507.A O no hydrogen 3.452 N/A ARG 522.A NE GLY 507.A O no hydrogen 3.199 N/A ARG 522.A NH2 ASN 508.A O no hydrogen 2.397 N/A TYR 523.A N GLU 521.A OE2 no hydrogen 3.296 N/A TYR 524.A N GLU 521.A O no hydrogen 2.879 N/A GLY 525.A N THR 459.A O no hydrogen 3.141 N/A TYR 526.A OH TYR 433.A OH no hydrogen 3.223 N/A TYR 526.A OH HIS 595.A NE2 no hydrogen 2.574 N/A THR 527.A OG1 THR 636.A O no hydrogen 3.292 N/A ALA 529.A N GLY 525.A O no hydrogen 2.584 N/A PHE 530.A N TYR 526.A O no hydrogen 2.991 N/A ARG 531.A N THR 527.A O no hydrogen 3.000 N/A CYS 532.A N GLY 528.A O no hydrogen 2.943 N/A LEU 533.A N ALA 529.A O no hydrogen 3.243 N/A LEU 533.A N PHE 530.A O no hydrogen 2.899 N/A ALA 534.A N PHE 530.A O no hydrogen 2.994 N/A GLU 535.A N ARG 531.A O no hydrogen 2.780 N/A LYS 536.A N LEU 533.A O no hydrogen 2.788 N/A ALA 537.A N CYS 532.A O no hydrogen 2.935 N/A GLY 538.A N CYS 532.A O no hydrogen 3.002 N/A ASP 539.A N LYS 455.A O no hydrogen 2.950 N/A VAL 540.A N LYS 455.A O no hydrogen 3.155 N/A ALA 541.A N VAL 438.A O no hydrogen 2.618 N/A PHE 542.A N CYS 457.A O no hydrogen 3.039 N/A VAL 543.A N VAL 436.A O no hydrogen 3.083 N/A ASP 545.A N LEU 434.A O no hydrogen 3.088 N/A THR 547.A N LYS 544.A O no hydrogen 3.032 N/A THR 547.A OG1 LYS 544.A O no hydrogen 3.551 N/A VAL 548.A N ASP 545.A O no hydrogen 3.368 N/A GLN 550.A N VAL 546.A O no hydrogen 2.922 N/A ASN 551.A N VAL 548.A O no hydrogen 2.816 N/A ASN 551.A ND2 THR 547.A O no hydrogen 3.005 N/A THR 552.A N VAL 548.A O no hydrogen 3.213 N/A ASP 553.A N LEU 564.A O no hydrogen 2.701 N/A LYS 555.A N THR 552.A O no hydrogen 3.486 N/A LYS 555.A NZ LEU 549.A O no hydrogen 2.618 N/A TRP 560.A NE1 GLU 558.A OE1 no hydrogen 3.124 N/A ALA 561.A N GLU 558.A O no hydrogen 2.574 N/A LYS 562.A N GLU 558.A O no hydrogen 3.078 N/A LEU 564.A N ALA 561.A O no hydrogen 2.662 N/A ASP 568.A N LYS 565.A O no hydrogen 2.581 N/A GLU 570.A N VAL 439.A O no hydrogen 3.187 N/A LEU 571.A N LYS 579.A O no hydrogen 2.878 N/A LEU 572.A N ALA 437.A O no hydrogen 3.004 N/A CYS 573.A N THR 577.A O no hydrogen 3.037 N/A CYS 573.A SG LEU 571.A O no hydrogen 4.044 N/A THR 577.A N ASP 575.A OD1 no hydrogen 3.230 N/A THR 577.A OG1 ASP 575.A O no hydrogen 3.197 N/A THR 577.A OG1 ASP 575.A OD1 no hydrogen 2.579 N/A ARG 578.A NE GLU 570.A OE1 no hydrogen 2.596 N/A ARG 578.A NH1 ASP 443.A O no hydrogen 2.846 N/A ARG 578.A NH1 LEU 446.A O no hydrogen 2.664 N/A ARG 578.A NH2 ARG 440.A O no hydrogen 3.319 N/A ARG 578.A NH2 ASP 443.A O no hydrogen 3.242 N/A ARG 578.A NH2 GLU 570.A OE1 no hydrogen 2.777 N/A LYS 579.A N LEU 571.A O no hydrogen 3.218 N/A LYS 579.A NZ GLU 583.A OE1 no hydrogen 3.455 N/A GLU 583.A N PRO 580.A O no hydrogen 2.865 N/A SER 586.A N GLU 583.A O no hydrogen 2.828 N/A CYS 587.A N ALA 584.A O no hydrogen 2.810 N/A LEU 589.A N ALA 435.A O no hydrogen 2.999 N/A ALA 592.A N TYR 433.A O no hydrogen 2.711 N/A HIS 595.A NE2 TYR 526.A OH no hydrogen 2.574 N/A ALA 596.A N LEU 394.A O no hydrogen 2.697 N/A VAL 597.A N LEU 411.A O no hydrogen 2.979 N/A VAL 598.A N LEU 392.A O no hydrogen 3.100 N/A SER 599.A N VAL 408.A O no hydrogen 3.101 N/A SER 599.A OG GLN 600.A O no hydrogen 3.351 N/A GLN 600.A NE2 VAL 384.A O no hydrogen 3.546 N/A ARG 603.A NE ASP 390.A OD1 no hydrogen 3.039 N/A ARG 603.A NE ASP 390.A OD2 no hydrogen 3.020 N/A ARG 603.A NH1 ARG 342.A O no hydrogen 2.832 N/A ARG 603.A NH2 ARG 341.A O no hydrogen 2.947 N/A ARG 603.A NH2 ASP 390.A OD2 no hydrogen 3.060 N/A ALA 604.A N GLN 600.A O no hydrogen 3.199 N/A HIS 606.A NE2 GLU 343.A O no hydrogen 3.006 N/A LEU 607.A N ARG 603.A O no hydrogen 2.850 N/A LYS 608.A N ALA 604.A O no hydrogen 2.892 N/A LYS 608.A NZ GLU 650.A OE1 no hydrogen 3.140 N/A LYS 609.A N GLN 605.A O no hydrogen 3.155 N/A VAL 610.A N HIS 606.A O no hydrogen 3.004 N/A LEU 611.A N LEU 607.A O no hydrogen 2.988 N/A PHE 612.A N LYS 608.A O no hydrogen 2.747 N/A LEU 613.A N LYS 609.A O no hydrogen 3.146 N/A GLN 614.A N VAL 610.A O no hydrogen 2.952 N/A GLN 615.A N LEU 611.A O no hydrogen 3.035 N/A ASP 616.A N PHE 612.A O no hydrogen 3.116 N/A ASP 616.A N LEU 613.A O no hydrogen 2.788 N/A GLN 617.A N LEU 613.A O no hydrogen 2.968 N/A PHE 618.A N GLN 614.A O no hydrogen 2.907 N/A GLY 622.A N GLY 619.A O no hydrogen 3.085 N/A ASP 624.A N GLN 617.A O no hydrogen 3.390 N/A CYS 625.A N GLY 622.A O no hydrogen 2.919 N/A CYS 625.A SG GLY 619.A O no hydrogen 3.603 N/A LYS 628.A N ASP 624.A O no hydrogen 2.825 N/A PHE 629.A N ASP 624.A O no hydrogen 2.984 N/A LEU 631.A N PHE 618.A O no hydrogen 2.811 N/A LYS 633.A NZ ASP 643.A O no hydrogen 2.912 N/A SER 634.A OG ASP 643.A OD1 no hydrogen 2.822 N/A THR 636.A OG1 ASN 556.A OD1 no hydrogen 3.326 N/A THR 636.A OG1 GLU 635.A O no hydrogen 2.522 N/A LYS 637.A N SER 634.A O no hydrogen 3.367 N/A LYS 637.A NZ SER 634.A O no hydrogen 3.169 N/A ASN 638.A N ASP 643.A OD2 no hydrogen 3.284 N/A LEU 639.A N SER 634.A OG no hydrogen 2.953 N/A PHE 641.A N LEU 639.A O no hydrogen 2.554 N/A ASN 642.A N GLU 413.A OE2 no hydrogen 3.110 N/A ASN 642.A ND2 GLU 413.A OE1 no hydrogen 2.764 N/A ASP 643.A N ASN 638.A OD1 no hydrogen 2.725 N/A THR 645.A N ASN 642.A O no hydrogen 3.248 N/A THR 645.A OG1 ASN 642.A O no hydrogen 2.662 N/A GLU 646.A N ASN 414.A O no hydrogen 2.891 N/A CYS 647.A N ASN 414.A O no hydrogen 3.490 N/A ALA 649.A N ALA 412.A O no hydrogen 2.616 N/A GLU 650.A N VAL 426.A O no hydrogen 3.173 N/A LYS 654.A N LEU 651.A O no hydrogen 3.070 N/A THR 656.A OG1 GLN 659.A OE1 no hydrogen 3.026 N/A GLN 659.A N THR 656.A OG1 no hydrogen 3.234 N/A TYR 660.A N THR 656.A O no hydrogen 2.842 N/A TYR 660.A OH ASN 594.A O no hydrogen 2.572 N/A TYR 660.A OH HIS 595.A O no hydrogen 3.377 N/A LEU 661.A N TYR 657.A O no hydrogen 2.805 N/A GLY 662.A N GLU 658.A O no hydrogen 2.877 N/A TYR 665.A OH THR 464.A OG1 no hydrogen 2.721 N/A VAL 666.A N GLY 662.A O no hydrogen 3.329 N/A THR 667.A N SER 663.A O no hydrogen 3.038 N/A THR 667.A OG1 SER 663.A O no hydrogen 2.762 N/A THR 667.A OG1 GLU 664.A O no hydrogen 2.993 N/A SER 668.A N GLU 664.A O no hydrogen 2.829 N/A ILE 669.A N TYR 665.A O no hydrogen 2.828 N/A THR 670.A N VAL 666.A O no hydrogen 3.126 N/A THR 670.A OG1 VAL 666.A O no hydrogen 2.555 N/A THR 670.A OG1 THR 667.A O no hydrogen 2.941 N/A ASN 671.A N THR 667.A O no hydrogen 2.963 N/A LEU 672.A N SER 668.A O no hydrogen 3.174 N/A ARG 673.A N ILE 669.A O no hydrogen 3.238 N/A ARG 673.A N THR 670.A O no hydrogen 3.124 N/A ARG 674.A N ASN 671.A O no hydrogen 3.254 N/A CYS 675.A N LEU 672.A O no hydrogen 2.967 N/A SER 676.A N LEU 672.A O no hydrogen 3.267 N/A GLU 682.A N SER 678.A O no hydrogen 3.106 N/A ALA 683.A N PRO 679.A O no hydrogen 2.819 N/A CYS 684.A N LEU 680.A O no hydrogen 3.002 N/A CYS 684.A SG LEU 680.A O no hydrogen 3.140 N/A ALA 685.A N LEU 681.A O no hydrogen 3.136 N/A PHE 686.A N GLU 682.A O no hydrogen 3.165 N/A LEU 687.A N ALA 683.A O no hydrogen 3.083 N/A ARG 688.A N CYS 684.A O no hydrogen 2.760 N/A ALA 689.A N PHE 686.A O no hydrogen 2.937 N/A