Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8r1a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N CYS 78.A O no hydrogen 2.897 N/A MET 7.A N MET 76.A O no hydrogen 2.975 N/A CYS 8.A SG ILE 10.A O no hydrogen 3.394 N/A CYS 8.A SG ILE 74.A O no hydrogen 3.814 N/A LEU 9.A N ILE 74.A O no hydrogen 2.798 N/A ILE 10.A N ILE 74.A O no hydrogen 3.010 N/A GLU 11.A N MET 18.A O no hydrogen 2.785 N/A ASN 12.A ND2 GLU 95.A OE2 no hydrogen 3.014 N/A ASN 12.A ND2 ASN 107.A OD1 no hydrogen 2.788 N/A THR 13.A N ARG 16.A O no hydrogen 3.008 N/A ARG 16.A N THR 13.A O no hydrogen 2.901 N/A MET 18.A N GLU 11.A O no hydrogen 3.033 N/A ASN 20.A N LEU 9.A O no hydrogen 2.822 N/A ASN 20.A ND2 GLU 11.A OE2 no hydrogen 3.424 N/A ALA 23.A N ASN 20.A OD1 no hydrogen 2.912 N/A LEU 24.A N ASN 20.A O no hydrogen 3.204 N/A LYS 25.A N PRO 21.A O no hydrogen 3.043 N/A ILE 26.A N GLU 22.A O no hydrogen 3.063 N/A LEU 27.A N ALA 23.A O no hydrogen 2.910 N/A SER 28.A N LEU 24.A O no hydrogen 2.733 N/A SER 28.A OG LEU 24.A O no hydrogen 3.437 N/A SER 28.A OG LYS 25.A O no hydrogen 3.301 N/A SER 28.A OG GLU 290.A OE2 no hydrogen 3.309 N/A ALA 29.A N LYS 25.A O no hydrogen 3.149 N/A ILE 30.A N LEU 27.A O no hydrogen 3.138 N/A MET 34.A N VAL 284.A O no hydrogen 3.111 N/A VAL 35.A N ILE 88.A O no hydrogen 2.762 N/A VAL 36.A N SER 120.A OG no hydrogen 2.993 N/A VAL 37.A N VAL 90.A O no hydrogen 2.756 N/A ALA 38.A N THR 121.A O no hydrogen 3.060 N/A ILE 39.A N LEU 92.A O no hydrogen 3.182 N/A VAL 40.A N VAL 123.A O no hydrogen 2.884 N/A TYR 43.A N LEU 97.A O no hydrogen 2.909 N/A ARG 44.A NE THR 66.A O no hydrogen 3.050 N/A ARG 44.A NH2 GLY 64.A O no hydrogen 2.771 N/A ARG 44.A NH2 THR 66.A O no hydrogen 3.112 N/A THR 45.A OG1 LEU 42.A O no hydrogen 2.874 N/A LYS 47.A NZ GLY 41.A O no hydrogen 3.564 N/A LYS 47.A NZ LEU 42.A O no hydrogen 2.750 N/A SER 48.A OG SER 62.A O no hydrogen 3.423 N/A SER 48.A OG THR 71.A OG1 no hydrogen 3.028 N/A SER 48.A OG ASP 93.A OD2 no hydrogen 3.295 N/A LEU 50.A N GLY 46.A O no hydrogen 3.308 N/A MET 51.A N LYS 47.A O no hydrogen 3.017 N/A ASN 52.A N SER 48.A O no hydrogen 3.160 N/A ASN 52.A ND2 PHE 61.A O no hydrogen 2.866 N/A LYS 53.A N TYR 49.A O no hydrogen 3.367 N/A LEU 54.A N LEU 50.A O no hydrogen 3.248 N/A ALA 55.A N MET 51.A O no hydrogen 3.130 N/A ALA 55.A N ASN 52.A O no hydrogen 3.134 N/A GLY 56.A N LYS 53.A O no hydrogen 3.084 N/A LYS 57.A N ASN 52.A O no hydrogen 3.005 N/A PHE 61.A N ASN 52.A OD1 no hydrogen 2.743 N/A SER 62.A OG HIS 70.A NE2 no hydrogen 2.933 N/A GLN 68.A NE2 GLU 101.A OE1 no hydrogen 3.513 N/A GLN 68.A NE2 GLU 101.A OE2 no hydrogen 2.869 N/A SER 69.A OG ASP 99.A OD2 no hydrogen 2.441 N/A HIS 70.A NE2 SER 62.A OG no hydrogen 2.933 N/A THR 71.A OG1 ASP 93.A OD2 no hydrogen 3.474 N/A GLY 73.A N GLU 95.A OE2 no hydrogen 2.762 N/A ILE 74.A N ILE 10.A O no hydrogen 2.880 N/A TRP 75.A N ASP 93.A O no hydrogen 2.846 N/A TRP 75.A NE1 LYS 72.A O no hydrogen 3.129 N/A MET 76.A N MET 7.A O no hydrogen 2.765 N/A TRP 77.A N LEU 91.A O no hydrogen 2.890 N/A TRP 77.A NE1 MET 3.A O no hydrogen 3.047 N/A VAL 79.A N LEU 89.A O no hydrogen 2.867 N/A HIS 81.A N HIS 87.A O no hydrogen 2.989 N/A LYS 83.A N HIS 81.A ND1 no hydrogen 3.178 N/A LYS 84.A N HIS 81.A ND1 no hydrogen 2.936 N/A LYS 84.A NZ SER 273.A O no hydrogen 3.325 N/A ILE 88.A N PRO 33.A O no hydrogen 3.028 N/A LEU 89.A N VAL 79.A O no hydrogen 2.873 N/A VAL 90.A N VAL 35.A O no hydrogen 2.804 N/A LEU 91.A N TRP 77.A O no hydrogen 2.882 N/A LEU 92.A N VAL 37.A O no hydrogen 2.861 N/A ASP 93.A N TRP 75.A O no hydrogen 3.038 N/A THR 94.A OG1 ILE 39.A O no hydrogen 2.754 N/A GLU 95.A N GLY 73.A O no hydrogen 2.909 N/A LEU 97.A N GLY 41.A O no hydrogen 3.149 N/A GLY 98.A N ASP 108.A OD2 no hydrogen 2.827 N/A GLU 101.A N ASP 99.A OD1 no hydrogen 3.223 N/A LYS 102.A N ASP 99.A O no hydrogen 3.325 N/A LYS 102.A NZ GLU 95.A OE1 no hydrogen 2.502 N/A LYS 102.A NZ ASN 107.A OD1 no hydrogen 2.800 N/A LYS 102.A NZ ASP 108.A OD1 no hydrogen 2.602 N/A ASN 105.A N GLY 103.A O no hydrogen 3.024 N/A GLN 106.A NE2 ASP 104.A OD1 no hydrogen 3.215 N/A ASN 107.A N ASP 104.A O no hydrogen 3.005 N/A ASP 108.A N ASN 105.A O no hydrogen 3.287 N/A SER 109.A OG GLN 106.A O no hydrogen 2.847 N/A TRP 110.A N GLN 106.A O no hydrogen 3.322 N/A ILE 111.A N ASN 107.A O no hydrogen 2.991 N/A PHE 112.A N ASP 108.A O no hydrogen 3.081 N/A ALA 113.A N SER 109.A O no hydrogen 2.870 N/A LEU 114.A N TRP 110.A O no hydrogen 2.993 N/A ALA 115.A N ILE 111.A O no hydrogen 3.002 N/A VAL 116.A N PHE 112.A O no hydrogen 3.090 N/A LEU 117.A N ALA 113.A O no hydrogen 2.994 N/A LEU 118.A N LEU 114.A O no hydrogen 2.949 N/A SER 119.A OG ALA 115.A O no hydrogen 2.952 N/A SER 119.A OG THR 121.A O no hydrogen 3.517 N/A SER 120.A N VAL 36.A O no hydrogen 2.781 N/A SER 120.A OG VAL 36.A O no hydrogen 3.260 N/A SER 120.A OG LYS 274.A O no hydrogen 2.833 N/A THR 121.A N VAL 36.A O no hydrogen 3.037 N/A THR 121.A OG1 SER 273.A OG no hydrogen 2.712 N/A PHE 122.A N ASP 173.A O no hydrogen 2.805 N/A VAL 123.A N ALA 38.A O no hydrogen 2.783 N/A TYR 124.A N VAL 175.A O no hydrogen 2.752 N/A TYR 124.A OH ALA 134.A O no hydrogen 2.810 N/A ASN 125.A N VAL 40.A O no hydrogen 2.823 N/A ASN 125.A ND2 THR 45.A O no hydrogen 2.883 N/A ASN 125.A ND2 THR 45.A OG1 no hydrogen 3.062 N/A SER 126.A N THR 177.A O no hydrogen 2.967 N/A GLY 128.A N ARG 179.A O no hydrogen 2.740 N/A THR 129.A N ILE 127.A O no hydrogen 2.849 N/A THR 129.A OG1 TYR 197.A OH no hydrogen 2.738 N/A ILE 130.A N TYR 197.A OH no hydrogen 2.916 N/A GLN 132.A NE2 ASP 136.A OD1 no hydrogen 2.667 N/A MET 135.A N ASN 131.A O no hydrogen 3.270 N/A ASP 136.A N GLN 132.A O no hydrogen 2.921 N/A GLN 137.A N GLN 133.A O no hydrogen 2.860 N/A LEU 138.A N ALA 134.A O no hydrogen 3.137 N/A TYR 139.A N MET 135.A O no hydrogen 2.944 N/A TYR 140.A N ASP 136.A O no hydrogen 2.914 N/A VAL 141.A N GLN 137.A O no hydrogen 3.060 N/A THR 142.A N LEU 138.A O no hydrogen 2.953 N/A THR 142.A OG1 LEU 138.A O no hydrogen 2.905 N/A GLU 143.A N TYR 139.A O no hydrogen 3.076 N/A LEU 144.A N TYR 140.A O no hydrogen 3.046 N/A THR 145.A N VAL 141.A O no hydrogen 2.724 N/A THR 145.A OG1 VAL 141.A O no hydrogen 2.968 N/A HIS 146.A N THR 142.A O no hydrogen 2.889 N/A ARG 147.A N GLU 143.A O no hydrogen 3.021 N/A ILE 148.A N LEU 144.A O no hydrogen 2.810 N/A ARG 149.A N THR 145.A O no hydrogen 3.228 N/A SER 150.A N HIS 146.A O no hydrogen 2.926 N/A SER 150.A OG ARG 147.A O no hydrogen 3.077 N/A LYS 151.A N ARG 147.A O no hydrogen 3.236 N/A LYS 151.A NZ ASP 304.A O no hydrogen 3.510 N/A SER 152.A N ARG 149.A O no hydrogen 3.424 N/A SER 152.A OG ILE 148.A O no hydrogen 3.092 N/A SER 152.A OG ARG 149.A O no hydrogen 3.526 N/A SER 153.A OG ARG 149.A O no hydrogen 3.039 N/A GLU 156.A N SER 153.A O no hydrogen 3.375 N/A GLU 158.A N GLU 158.A OE2 no hydrogen 2.732 N/A ASN 159.A N GLU 156.A O no hydrogen 3.117 N/A GLU 160.A N ASN 157.A O no hydrogen 3.456 N/A VAL 161.A N ASN 159.A O no hydrogen 2.947 N/A SER 164.A N GLU 162.A O no hydrogen 3.046 N/A SER 164.A OG ALA 165.A O no hydrogen 3.465 N/A SER 169.A N ASP 166.A O no hydrogen 3.213 N/A SER 169.A OG ASP 166.A O no hydrogen 2.849 N/A PHE 170.A N PHE 167.A O no hydrogen 3.491 N/A PHE 171.A N VAL 168.A O no hydrogen 3.091 N/A ASP 173.A N SER 120.A O no hydrogen 3.039 N/A PHE 174.A N LYS 228.A O no hydrogen 3.240 N/A VAL 175.A N PHE 122.A O no hydrogen 2.831 N/A TRP 176.A N LYS 230.A O no hydrogen 2.763 N/A TRP 176.A NE1 SER 126.A OG no hydrogen 2.780 N/A THR 177.A N TYR 124.A O no hydrogen 2.862 N/A THR 177.A OG1 TYR 124.A O no hydrogen 3.280 N/A THR 177.A OG1 ASN 125.A OD1 no hydrogen 2.873 N/A LEU 178.A N PHE 232.A O no hydrogen 2.810 N/A ARG 179.A N SER 126.A O no hydrogen 2.913 N/A ARG 179.A NH1 GLY 46.A O no hydrogen 2.863 N/A ARG 179.A NH1 ASN 125.A OD1 no hydrogen 2.801 N/A ARG 179.A NH2 GLY 46.A O no hydrogen 3.066 N/A PHE 181.A N PHE 234.A O no hydrogen 2.859 N/A ALA 187.A N GLN 190.A O no hydrogen 2.895 N/A GLN 190.A N ALA 187.A O no hydrogen 3.006 N/A LEU 192.A N LEU 185.A O no hydrogen 2.821 N/A THR 193.A N GLU 196.A OE1 no hydrogen 2.693 N/A GLU 196.A N THR 193.A OG1 no hydrogen 3.264 N/A TYR 197.A N THR 193.A O no hydrogen 2.939 N/A TYR 197.A OH THR 129.A OG1 no hydrogen 2.738 N/A LEU 198.A N PRO 194.A O no hydrogen 3.033 N/A THR 199.A N ASP 195.A O no hydrogen 2.900 N/A THR 199.A OG1 ASP 195.A O no hydrogen 3.269 N/A THR 199.A OG1 GLU 196.A O no hydrogen 3.069 N/A TYR 200.A N GLU 196.A O no hydrogen 2.952 N/A SER 201.A N TYR 197.A O no hydrogen 3.124 N/A SER 201.A OG TYR 197.A O no hydrogen 3.205 N/A LEU 202.A N LEU 198.A O no hydrogen 3.181 N/A LYS 203.A N TYR 200.A O no hydrogen 3.408 N/A LYS 205.A N ASN 216.A OD1 no hydrogen 2.948 N/A THR 208.A OG1 GLY 207.A O no hydrogen 2.904 N/A SER 209.A OG ASP 212.A OD2 no hydrogen 3.033 N/A GLN 210.A NE2 GLU 213.A OE1 no hydrogen 3.008 N/A LYS 211.A NZ ASP 212.A OD1 no hydrogen 2.688 N/A LYS 211.A NZ ASP 212.A OD2 no hydrogen 2.926 N/A ASP 212.A N SER 209.A O no hydrogen 3.195 N/A GLU 213.A N GLN 210.A O no hydrogen 3.325 N/A ASN 216.A N ASP 212.A O no hydrogen 2.953 N/A ASN 216.A ND2 LYS 205.A O no hydrogen 2.852 N/A LEU 217.A N GLU 213.A O no hydrogen 3.006 N/A ARG 219.A NE SER 201.A O no hydrogen 2.792 N/A ARG 219.A NH1 GLN 132.A OE1 no hydrogen 3.469 N/A ARG 219.A NH1 PHE 215.A O no hydrogen 2.851 N/A ARG 219.A NH2 GLN 132.A OE1 no hydrogen 2.722 N/A ARG 219.A NH2 SER 201.A O no hydrogen 3.226 N/A LEU 220.A N ASN 216.A O no hydrogen 2.960 N/A CYS 221.A SG GLU 143.A OE1 no hydrogen 3.185 N/A ILE 222.A N PRO 218.A O no hydrogen 2.947 N/A ARG 223.A N ARG 219.A O no hydrogen 2.862 N/A LYS 224.A N LEU 220.A O no hydrogen 3.065 N/A PHE 225.A N CYS 221.A O no hydrogen 2.827 N/A PHE 226.A N ILE 222.A O no hydrogen 2.962 N/A LYS 229.A NZ PHE 226.A O no hydrogen 2.713 N/A LYS 229.A NZ PRO 227.A O no hydrogen 3.267 N/A LYS 230.A N PHE 174.A O no hydrogen 2.947 N/A LYS 230.A NZ ASP 195.A OD2 no hydrogen 2.563 N/A CYS 231.A N ASP 195.A OD1 no hydrogen 2.722 N/A CYS 231.A SG TRP 176.A O no hydrogen 3.720 N/A CYS 231.A SG PRO 194.A O no hydrogen 3.365 N/A PHE 232.A N TRP 176.A O no hydrogen 2.926 N/A PHE 234.A N LEU 178.A O no hydrogen 2.834 N/A ASP 235.A N GLN 261.A OE1 no hydrogen 2.767 N/A ARG 241.A N HIS 239.A ND1 no hydrogen 3.182 N/A LYS 242.A N HIS 239.A O no hydrogen 2.926 N/A LYS 242.A NZ GLU 253.A O no hydrogen 3.561 N/A LYS 242.A NZ GLU 253.A OE2 no hydrogen 2.684 N/A GLN 245.A N LYS 242.A O no hydrogen 3.232 N/A LEU 246.A N LEU 243.A O no hydrogen 3.365 N/A LYS 248.A N GLN 245.A O no hydrogen 2.843 N/A LEU 249.A N LEU 246.A O no hydrogen 3.386 N/A GLU 253.A N GLN 250.A O no hydrogen 2.984 N/A LEU 254.A N ASP 251.A O no hydrogen 3.181 N/A ASP 255.A N PRO 237.A O no hydrogen 2.762 N/A GLU 257.A N ASP 255.A OD1 no hydrogen 2.836 N/A PHE 258.A N ASP 255.A OD1 no hydrogen 3.383 N/A VAL 259.A N ASP 255.A O no hydrogen 3.225 N/A GLN 260.A N PRO 256.A O no hydrogen 3.165 N/A GLN 261.A N GLU 257.A O no hydrogen 2.759 N/A VAL 262.A N PHE 258.A O no hydrogen 2.929 N/A ALA 263.A N VAL 259.A O no hydrogen 3.205 N/A ASP 264.A N GLN 260.A O no hydrogen 2.936 N/A PHE 265.A N GLN 261.A O no hydrogen 2.990 N/A CYS 266.A N VAL 262.A O no hydrogen 3.003 N/A CYS 266.A SG LYS 53.A O no hydrogen 3.532 N/A CYS 266.A SG VAL 262.A O no hydrogen 3.242 N/A SER 267.A N ALA 263.A O no hydrogen 2.905 N/A TYR 268.A N ASP 264.A O no hydrogen 3.060 N/A ILE 269.A N PHE 265.A O no hydrogen 3.070 N/A PHE 270.A N CYS 266.A O no hydrogen 3.026 N/A SER 271.A N SER 267.A O no hydrogen 3.025 N/A SER 271.A OG SER 267.A O no hydrogen 3.041 N/A SER 271.A OG TYR 268.A O no hydrogen 3.333 N/A ASN 272.A N TYR 268.A O no hydrogen 3.020 N/A ASN 272.A ND2 TYR 268.A O no hydrogen 3.012 N/A SER 273.A N ILE 269.A O no hydrogen 3.170 N/A SER 273.A OG THR 121.A OG1 no hydrogen 2.712 N/A SER 273.A OG ILE 269.A O no hydrogen 2.947 N/A LYS 276.A N MET 34.A O no hydrogen 3.102 N/A LYS 276.A NZ LEU 117.A O no hydrogen 3.039 N/A LYS 276.A NZ SER 119.A O no hydrogen 2.672 N/A LEU 278.A N ILE 282.A O no hydrogen 2.852 N/A ILE 282.A N LEU 278.A O no hydrogen 3.295 N/A VAL 284.A N LYS 276.A O no hydrogen 2.823 N/A GLY 286.A N ILE 30.A O no hydrogen 2.988 N/A ARG 288.A N ASN 285.A OD1 no hydrogen 3.080 N/A ARG 288.A NE GLN 283.A O no hydrogen 2.840 N/A ARG 288.A NH2 GLN 283.A O no hydrogen 3.103 N/A LEU 289.A N ASN 285.A O no hydrogen 2.857 N/A GLU 290.A N GLY 286.A O no hydrogen 2.900 N/A SER 291.A N PRO 287.A O no hydrogen 2.985 N/A SER 291.A OG PRO 287.A O no hydrogen 3.271 N/A LEU 292.A N ARG 288.A O no hydrogen 3.021 N/A VAL 293.A N LEU 289.A O no hydrogen 2.933 N/A LEU 294.A N GLU 290.A O no hydrogen 2.966 N/A THR 295.A N SER 291.A O no hydrogen 2.899 N/A THR 295.A OG1 SER 291.A O no hydrogen 3.012 N/A TYR 296.A N LEU 292.A O no hydrogen 3.059 N/A VAL 297.A N VAL 293.A O no hydrogen 2.963 N/A ASN 298.A N LEU 294.A O no hydrogen 3.070 N/A ALA 299.A N THR 295.A O no hydrogen 3.097 N/A ILE 300.A N TYR 296.A O no hydrogen 2.966 N/A SER 301.A N VAL 297.A O no hydrogen 2.990 N/A SER 301.A OG VAL 297.A O no hydrogen 3.286 N/A SER 302.A N ASN 298.A O no hydrogen 3.051 N/A SER 302.A OG ASN 298.A O no hydrogen 3.202 N/A SER 302.A OG ALA 299.A O no hydrogen 3.095 N/A GLY 303.A N ILE 300.A O no hydrogen 3.090 N/A ASP 304.A N ALA 299.A O no hydrogen 3.038 N/A CYS 307.A SG GLN 106.A OE1 no hydrogen 3.692 N/A CYS 307.A SG MET 308.A O no hydrogen 3.860 N/A ALA 314.A N ASN 310.A O no hydrogen 3.148 N/A LEU 315.A N ALA 311.A O no hydrogen 3.288 N/A ALA 316.A N VAL 312.A O no hydrogen 3.038 N/A GLN 317.A N LEU 313.A O no hydrogen 2.888 N/A ILE 318.A N ALA 314.A O no hydrogen 3.133 N/A GLU 319.A N LEU 315.A O no hydrogen 2.869 N/A ASN 320.A N ALA 316.A O no hydrogen 2.890 N/A ASN 320.A ND2 PHE 369.A O no hydrogen 2.833 N/A SER 321.A N GLN 317.A O no hydrogen 3.307 N/A ALA 322.A N ILE 318.A O no hydrogen 3.087 N/A ALA 323.A N GLU 319.A O no hydrogen 2.794 N/A VAL 324.A N ASN 320.A O no hydrogen 2.993 N/A GLN 325.A N SER 321.A O no hydrogen 3.226 N/A LYS 326.A N ALA 322.A O no hydrogen 2.961 N/A ALA 327.A N ALA 323.A O no hydrogen 2.970 N/A ILE 328.A N VAL 324.A O no hydrogen 2.952 N/A ALA 329.A N GLN 325.A O no hydrogen 2.943 N/A HIS 330.A N LYS 326.A O no hydrogen 2.952 N/A HIS 330.A NE2 GLU 359.A OE2 no hydrogen 2.751 N/A TYR 331.A N ALA 327.A O no hydrogen 2.975 N/A TYR 331.A OH HIS 353.A ND1 no hydrogen 2.791 N/A GLU 332.A N ILE 328.A O no hydrogen 2.891 N/A GLN 333.A N ALA 329.A O no hydrogen 2.988 N/A GLN 334.A N HIS 330.A O no hydrogen 2.980 N/A MET 335.A N TYR 331.A O no hydrogen 2.932 N/A GLY 336.A N GLU 332.A O no hydrogen 2.846 N/A GLN 337.A N GLN 333.A O no hydrogen 3.130 N/A LYS 338.A N GLN 334.A O no hydrogen 3.161 N/A LYS 338.A NZ GLN 334.A OE1 no hydrogen 2.776 N/A VAL 339.A N MET 335.A O no hydrogen 2.941 N/A THR 343.A N ASN 395.A OD1 no hydrogen 2.813 N/A THR 343.A OG1 SER 345.A O no hydrogen 3.326 N/A GLN 347.A NE2 ASP 351.A OD2 no hydrogen 2.642 N/A GLU 348.A N SER 345.A OG no hydrogen 3.101 N/A LEU 350.A N LEU 346.A O no hydrogen 2.954 N/A ASP 351.A N GLN 347.A O no hydrogen 2.849 N/A LEU 352.A N GLU 348.A O no hydrogen 3.038 N/A HIS 353.A N LEU 349.A O no hydrogen 3.002 N/A HIS 353.A ND1 TYR 331.A OH no hydrogen 2.791 N/A ARG 354.A N LEU 350.A O no hydrogen 2.886 N/A ASP 355.A N ASP 351.A O no hydrogen 2.988 N/A SER 356.A N LEU 352.A O no hydrogen 3.115 N/A SER 356.A OG LEU 352.A O no hydrogen 3.148 N/A GLU 357.A N HIS 353.A O no hydrogen 2.781 N/A ARG 358.A N ARG 354.A O no hydrogen 2.977 N/A GLU 359.A N ASP 355.A O no hydrogen 3.110 N/A ALA 360.A N SER 356.A O no hydrogen 3.002 N/A ILE 361.A N GLU 357.A O no hydrogen 2.941 N/A GLU 362.A N ARG 358.A O no hydrogen 2.914 N/A VAL 363.A N GLU 359.A O no hydrogen 2.902 N/A PHE 364.A N ALA 360.A O no hydrogen 2.977 N/A ILE 365.A N ILE 361.A O no hydrogen 2.880 N/A ARG 366.A N GLU 362.A O no hydrogen 3.110 N/A SER 367.A N PHE 364.A O no hydrogen 3.041 N/A SER 367.A OG VAL 363.A O no hydrogen 2.934 N/A SER 367.A OG PHE 364.A O no hydrogen 3.288 N/A SER 368.A OG PHE 364.A O no hydrogen 3.035 N/A PHE 369.A N ASN 320.A OD1 no hydrogen 2.880 N/A HIS 374.A N ASP 371.A O no hydrogen 3.144 N/A LEU 375.A N VAL 372.A O no hydrogen 3.198 N/A PHE 376.A N ASP 371.A OD1 no hydrogen 2.934 N/A GLN 377.A N ASP 371.A OD2 no hydrogen 2.779 N/A LYS 378.A N HIS 374.A O no hydrogen 2.958 N/A LYS 378.A NZ ASP 373.A O no hydrogen 2.686 N/A GLU 379.A N LEU 375.A O no hydrogen 2.960 N/A LEU 380.A N PHE 376.A O no hydrogen 2.883 N/A ALA 381.A N GLN 377.A O no hydrogen 2.920 N/A ALA 382.A N LYS 378.A O no hydrogen 2.919 N/A GLN 383.A N GLU 379.A O no hydrogen 2.938 N/A LEU 384.A N LEU 380.A O no hydrogen 2.896 N/A GLU 385.A N ALA 381.A O no hydrogen 2.928 N/A LYS 386.A N ALA 382.A O no hydrogen 3.017 N/A LYS 387.A N GLN 383.A O no hydrogen 3.076 N/A ARG 388.A N LEU 384.A O no hydrogen 2.940 N/A ARG 388.A NE GLU 385.A OE1 no hydrogen 3.305 N/A ARG 388.A NE GLU 385.A OE2 no hydrogen 2.644 N/A ARG 388.A NH1 GLU 385.A OE1 no hydrogen 2.724 N/A ASP 389.A N GLU 385.A O no hydrogen 2.981 N/A ASP 390.A N LYS 386.A O no hydrogen 3.054 N/A PHE 391.A N LYS 387.A O no hydrogen 3.020 N/A CYS 392.A N ARG 388.A O no hydrogen 3.032 N/A CYS 392.A SG ARG 388.A O no hydrogen 3.324 N/A LYS 393.A N ASP 389.A O no hydrogen 2.995 N/A GLN 394.A N ASP 390.A O no hydrogen 2.845 N/A ASN 395.A N PHE 391.A O no hydrogen 2.960 N/A GLN 396.A N CYS 392.A O no hydrogen 3.052 N/A GLU 397.A N LYS 393.A O no hydrogen 2.944 N/A ALA 398.A N GLN 394.A O no hydrogen 2.875 N/A SER 399.A N ASN 395.A O no hydrogen 3.021 N/A SER 399.A OG LYS 449.A O no hydrogen 2.943 N/A SER 400.A N GLN 396.A O no hydrogen 2.936 N/A ASP 401.A N GLU 397.A O no hydrogen 2.863 N/A ARG 402.A N ALA 398.A O no hydrogen 3.020 N/A CYS 403.A N SER 399.A O no hydrogen 2.975 N/A CYS 403.A SG SER 399.A O no hydrogen 3.280 N/A CYS 403.A SG TYR 443.A OH no hydrogen 3.201 N/A CYS 403.A SG LYS 449.A O no hydrogen 3.287 N/A SER 404.A N SER 400.A O no hydrogen 2.810 N/A SER 404.A OG SER 400.A O no hydrogen 3.267 N/A GLY 405.A N ASP 401.A O no hydrogen 2.946 N/A LEU 406.A N ARG 402.A O no hydrogen 2.945 N/A LEU 407.A N CYS 403.A O no hydrogen 2.899 N/A GLN 408.A N SER 404.A O no hydrogen 3.062 N/A VAL 409.A N GLY 405.A O no hydrogen 2.973 N/A ILE 410.A N LEU 406.A O no hydrogen 2.852 N/A PHE 411.A N LEU 407.A O no hydrogen 2.878 N/A SER 412.A N GLN 408.A O no hydrogen 2.794 N/A GLU 415.A N PHE 411.A O no hydrogen 2.969 N/A GLU 416.A N SER 412.A O no hydrogen 3.090 N/A GLU 417.A N PRO 413.A O no hydrogen 2.823 N/A VAL 418.A N LEU 414.A O no hydrogen 2.951 N/A LYS 419.A N GLU 415.A O no hydrogen 3.106 N/A LYS 419.A NZ GLU 416.A OE1 no hydrogen 2.535 N/A ALA 420.A N GLU 416.A O no hydrogen 2.954 N/A GLY 421.A N VAL 418.A O no hydrogen 3.008 N/A ILE 422.A N GLU 417.A O no hydrogen 3.131 N/A TYR 423.A OH GLU 417.A OE1 no hydrogen 2.657 N/A SER 424.A N GLY 421.A O no hydrogen 2.942 N/A LYS 425.A N TYR 423.A O no hydrogen 3.007 N/A GLY 427.A N ASP 475.A OD1 no hydrogen 2.764 N/A GLY 428.A N LYS 425.A O no hydrogen 2.962 N/A TYR 429.A N ASP 475.A OD2 no hydrogen 2.754 N/A LEU 431.A N GLY 427.A O no hydrogen 3.394 N/A PHE 432.A N GLY 428.A O no hydrogen 3.032 N/A VAL 433.A N TYR 429.A O no hydrogen 2.924 N/A GLN 434.A N ARG 430.A O no hydrogen 3.006 N/A LYS 435.A N LEU 431.A O no hydrogen 2.942 N/A LEU 436.A N PHE 432.A O no hydrogen 2.880 N/A GLN 437.A N VAL 433.A O no hydrogen 2.988 N/A ASP 438.A N GLN 434.A O no hydrogen 2.965 N/A LEU 439.A N LYS 435.A O no hydrogen 2.983 N/A LYS 440.A N LEU 436.A O no hydrogen 2.984 N/A LYS 441.A N GLN 437.A O no hydrogen 2.999 N/A LYS 442.A N ASP 438.A O no hydrogen 2.952 N/A TYR 443.A N LEU 439.A O no hydrogen 2.941 N/A TYR 443.A OH ALA 453.A O no hydrogen 2.948 N/A TYR 444.A N LYS 440.A O no hydrogen 3.007 N/A TYR 444.A OH GLU 454.A OE2 no hydrogen 3.131 N/A GLU 445.A N LYS 441.A O no hydrogen 3.214 N/A ARG 448.A N GLU 344.A OE1 no hydrogen 2.729 N/A LYS 449.A NZ TYR 443.A O no hydrogen 2.861 N/A LYS 449.A NZ TYR 444.A O no hydrogen 2.788 N/A LYS 449.A NZ GLU 446.A O no hydrogen 2.635 N/A GLY 450.A N GLU 344.A OE2 no hydrogen 2.969 N/A GLN 452.A N SER 399.A OG no hydrogen 2.806 N/A GLN 452.A NE2 GLU 455.A OE2 no hydrogen 2.694 N/A ALA 453.A N GLY 450.A O no hydrogen 3.210 N/A ILE 456.A N GLN 452.A O no hydrogen 2.986 N/A LEU 457.A N ALA 453.A O no hydrogen 3.279 N/A GLN 458.A N GLU 454.A O no hydrogen 2.870 N/A GLN 458.A NE2 GLU 454.A OE1 no hydrogen 2.686 N/A THR 459.A N GLU 455.A O no hydrogen 3.018 N/A THR 459.A OG1 GLU 455.A O no hydrogen 3.089 N/A TYR 460.A N ILE 456.A O no hydrogen 2.933 N/A TYR 460.A OH GLU 415.A OE1 no hydrogen 2.654 N/A LEU 461.A N LEU 457.A O no hydrogen 2.831 N/A LYS 462.A N GLN 458.A O no hydrogen 2.978 N/A SER 463.A N THR 459.A O no hydrogen 3.199 N/A SER 463.A OG TYR 460.A O no hydrogen 3.016 N/A LYS 464.A N LEU 461.A O no hydrogen 3.120 N/A LYS 464.A NZ GLU 415.A OE1 no hydrogen 2.921 N/A LYS 464.A NZ GLU 415.A OE2 no hydrogen 2.657 N/A GLU 465.A N LYS 462.A O no hydrogen 3.416 N/A THR 468.A N LYS 464.A O no hydrogen 3.055 N/A THR 468.A OG1 LYS 464.A O no hydrogen 3.134 N/A ASP 469.A N GLU 465.A O no hydrogen 2.906 N/A ALA 470.A N SER 466.A O no hydrogen 2.975 N/A ILE 471.A N MET 467.A O no hydrogen 3.011 N/A LEU 472.A N THR 468.A O no hydrogen 2.978 N/A GLN 473.A N ASP 469.A O no hydrogen 2.907 N/A THR 474.A N ALA 470.A O no hydrogen 3.009 N/A THR 474.A OG1 ALA 470.A O no hydrogen 3.059 N/A ASP 475.A N ILE 471.A O no hydrogen 2.874 N/A GLN 476.A N LEU 472.A O no hydrogen 2.932 N/A THR 477.A N GLN 473.A O no hydrogen 2.969 N/A THR 477.A OG1 GLN 473.A O no hydrogen 2.937 N/A THR 477.A OG1 THR 474.A O no hydrogen 2.575 N/A LEU 478.A N THR 474.A O no hydrogen 2.916 N/A THR 479.A N ASP 475.A O no hydrogen 2.772 N/A THR 479.A OG1 ASP 475.A O no hydrogen 3.050 N/A THR 479.A OG1 ASP 475.A OD1 no hydrogen 3.293 N/A GLU 480.A N GLN 476.A O no hydrogen 2.850 N/A LYS 481.A N THR 477.A O no hydrogen 3.032 N/A GLU 482.A N LEU 478.A O no hydrogen 2.861 N/A LYS 483.A N THR 479.A O no hydrogen 2.972 N/A GLU 484.A N GLU 480.A O no hydrogen 2.838 N/A ILE 485.A N LYS 481.A O no hydrogen 2.926 N/A GLU 486.A N GLU 482.A O no hydrogen 2.870 N/A VAL 487.A N LYS 483.A O no hydrogen 2.908 N/A GLU 488.A N GLU 484.A O no hydrogen 2.771 N/A ARG 489.A N ILE 485.A O no hydrogen 2.915 N/A ARG 489.A NH2 GLU 493.A OE1 no hydrogen 2.649 N/A VAL 490.A N GLU 486.A O no hydrogen 2.890 N/A LYS 491.A N VAL 487.A O no hydrogen 2.844 N/A ALA 492.A N GLU 488.A O no hydrogen 2.848 N/A GLU 493.A N ARG 489.A O no hydrogen 2.886 N/A SER 494.A N VAL 490.A O no hydrogen 2.840 N/A SER 494.A OG VAL 490.A O no hydrogen 3.232 N/A ALA 495.A N LYS 491.A O no hydrogen 2.855 N/A GLN 496.A N ALA 492.A O no hydrogen 2.832 N/A ALA 497.A N GLU 493.A O no hydrogen 2.870 N/A SER 498.A N SER 494.A O no hydrogen 2.869 N/A SER 498.A OG SER 494.A O no hydrogen 3.400 N/A SER 498.A OG ALA 495.A O no hydrogen 3.008 N/A ALA 499.A N ALA 495.A O no hydrogen 2.978 N/A LYS 500.A N GLN 496.A O no hydrogen 3.052 N/A MET 501.A N ALA 497.A O no hydrogen 2.924 N/A LEU 502.A N SER 498.A O no hydrogen 2.931 N/A GLN 503.A N ALA 499.A O no hydrogen 2.989 N/A GLU 504.A N LYS 500.A O no hydrogen 2.932 N/A MET 505.A N MET 501.A O no hydrogen 2.982 N/A GLN 506.A N LEU 502.A O no hydrogen 2.901 N/A ARG 507.A N GLN 503.A O no hydrogen 3.138 N/A LYS 508.A N GLU 504.A O no hydrogen 3.131 N/A ASN 509.A N MET 505.A O no hydrogen 2.968 N/A GLU 510.A N GLN 506.A O no hydrogen 2.917 N/A GLN 511.A N ARG 507.A O no hydrogen 3.013 N/A MET 512.A N LYS 508.A O no hydrogen 2.982 N/A MET 513.A N ASN 509.A O no hydrogen 2.963 N/A GLU 514.A N GLU 510.A O no hydrogen 2.983 N/A GLN 515.A N GLN 511.A O no hydrogen 2.993 N/A LYS 516.A N MET 512.A O no hydrogen 2.894 N/A GLU 517.A N MET 513.A O no hydrogen 2.876 N/A ARG 518.A N GLU 514.A O no hydrogen 3.027 N/A SER 519.A N GLN 515.A O no hydrogen 3.025 N/A SER 519.A OG GLN 515.A O no hydrogen 3.267 N/A TYR 520.A N LYS 516.A O no hydrogen 2.954 N/A GLN 521.A N GLU 517.A O no hydrogen 2.937 N/A GLU 522.A N ARG 518.A O no hydrogen 3.138 N/A HIS 523.A N SER 519.A O no hydrogen 3.058 N/A LEU 524.A N TYR 520.A O no hydrogen 2.911 N/A LYS 525.A N GLN 521.A O no hydrogen 3.014 N/A GLN 526.A N GLU 522.A O no hydrogen 2.887 N/A LEU 527.A N HIS 523.A O no hydrogen 2.856 N/A THR 528.A N LEU 524.A O no hydrogen 2.916 N/A THR 528.A OG1 LEU 524.A O no hydrogen 3.065 N/A MET 531.A N THR 528.A O no hydrogen 2.964 N/A ASN 533.A N LYS 525.A O no hydrogen 3.280 N/A ASP 534.A N GLN 526.A O no hydrogen 3.382 N/A ARG 535.A N GLU 532.A OE1 no hydrogen 2.926 N/A GLN 537.A N ASN 533.A O no hydrogen 2.977 N/A LEU 538.A N ASP 534.A O no hydrogen 2.846 N/A LEU 539.A N ARG 535.A O no hydrogen 2.957 N/A LYS 540.A N VAL 536.A O no hydrogen 3.102 N/A GLU 541.A N GLN 537.A O no hydrogen 3.047 N/A GLN 542.A N LEU 538.A O no hydrogen 3.139 N/A GLU 543.A N LEU 539.A O no hydrogen 3.097 N/A ARG 544.A N LYS 540.A O no hydrogen 3.208 N/A THR 545.A N GLU 541.A O no hydrogen 3.058 N/A THR 545.A OG1 GLU 541.A O no hydrogen 3.359 N/A LEU 546.A N GLN 542.A O no hydrogen 3.085 N/A ALA 547.A N GLU 543.A O no hydrogen 3.069 N/A LEU 548.A N ARG 544.A O no hydrogen 3.202 N/A LYS 549.A N THR 545.A O no hydrogen 3.172 N/A LEU 550.A N LEU 546.A O no hydrogen 3.078 N/A GLN 551.A N ALA 547.A O no hydrogen 3.130 N/A GLU 552.A N LEU 548.A O no hydrogen 3.052 N/A GLN 553.A N LYS 549.A O no hydrogen 3.266 N/A GLU 554.A N LEU 550.A O no hydrogen 2.963 N/A GLN 555.A N GLN 551.A O no hydrogen 3.009 N/A GLN 555.A NE2 GLU 559.A OE2 no hydrogen 3.168 N/A LEU 556.A N GLU 552.A O no hydrogen 3.082 N/A LEU 557.A N GLN 553.A O no hydrogen 3.115 N/A LYS 558.A N GLU 554.A O no hydrogen 3.137 N/A GLU 559.A N GLN 555.A O no hydrogen 3.080 N/A GLY 560.A N LEU 556.A O no hydrogen 3.085 N/A PHE 561.A N LEU 557.A O no hydrogen 3.155 N/A GLN 562.A N LYS 558.A O no hydrogen 3.127 N/A LYS 563.A N GLU 559.A O no hydrogen 3.070 N/A GLU 564.A N GLY 560.A O no hydrogen 3.057 N/A SER 565.A N PHE 561.A O no hydrogen 3.038 N/A SER 565.A OG GLN 562.A O no hydrogen 3.220 N/A ARG 566.A N GLN 562.A O no hydrogen 3.247 N/A ILE 567.A N LYS 563.A O no hydrogen 3.174 N/A MET 568.A N GLU 564.A O no hydrogen 3.066 N/A LYS 569.A N SER 565.A O no hydrogen 3.044 N/A ASN 570.A N ARG 566.A O no hydrogen 3.041 N/A GLU 571.A N ILE 567.A O no hydrogen 3.026 N/A ILE 572.A N MET 568.A O no hydrogen 3.053 N/A GLN 573.A N LYS 569.A O no hydrogen 3.140 N/A ASP 574.A N ASN 570.A O no hydrogen 2.957 N/A LEU 575.A N GLU 571.A O no hydrogen 2.938 N/A GLN 576.A N ILE 572.A O no hydrogen 3.148 N/A THR 577.A N GLN 573.A O no hydrogen 3.315 N/A THR 577.A OG1 ASP 574.A O no hydrogen 3.094 N/A LYS 578.A N LEU 575.A O no hydrogen 3.376 N/A ARG 580.A NE THR 577.A O no hydrogen 3.100 N/A ARG 580.A NH1 THR 577.A O no hydrogen 3.293 N/A ARG 581.A NH1 LYS 578.A O no hydrogen 2.921 N/A CYS 585.A SG THR 586.A OG1 no hydrogen 3.396 N/A