Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r76_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N GLU 88.A OE1 no hydrogen 3.213 N/A ASP 5.A N ASN 2.A OD1 no hydrogen 2.759 N/A ARG 6.A N ASN 2.A O no hydrogen 3.191 N/A ARG 6.A NH1 ARG 1.A O no hydrogen 3.420 N/A ARG 6.A NH2 GLU 86.A OE2 no hydrogen 2.680 N/A VAL 7.A N LEU 3.A O no hydrogen 2.702 N/A LEU 8.A N PHE 4.A O no hydrogen 2.930 N/A HIS 9.A N ASP 5.A O no hydrogen 3.020 N/A HIS 9.A N ARG 6.A O no hydrogen 3.184 N/A GLY 10.A N VAL 7.A O no hydrogen 3.200 N/A GLN 11.A N ARG 6.A O no hydrogen 3.030 N/A CYS 14.A SG GLY 30.A O no hydrogen 3.440 N/A CYS 14.A SG HIS 177.A O no hydrogen 3.845 N/A PHE 15.A N HIS 177.A O no hydrogen 2.982 N/A ALA 16.A N PHE 28.A O no hydrogen 2.992 N/A LEU 17.A N VAL 175.A O no hydrogen 2.984 N/A ILE 18.A N ASP 26.A O no hydrogen 2.866 N/A ALA 19.A N ILE 173.A O no hydrogen 2.714 N/A ARG 20.A NE ASP 26.A OD2 no hydrogen 2.939 N/A ARG 20.A NH1 ASP 334.A OD2 no hydrogen 2.567 N/A ARG 20.A NH2 ASP 26.A OD2 no hydrogen 3.353 N/A ILE 25.A N VAL 90.A O no hydrogen 2.762 N/A ASP 26.A N ILE 18.A O no hydrogen 2.873 N/A VAL 27.A N GLU 88.A O no hydrogen 2.697 N/A PHE 28.A N ALA 16.A O no hydrogen 2.804 N/A ALA 29.A N GLU 86.A O no hydrogen 3.045 N/A ALA 31.A N THR 83.A OG1 no hydrogen 3.052 N/A SER 33.A N ALA 81.A O no hydrogen 2.884 N/A LEU 38.A N GLU 67.A OE2 no hydrogen 2.742 N/A GLU 40.A N SER 37.A O no hydrogen 3.112 N/A GLU 40.A N SER 37.A OG no hydrogen 3.088 N/A LEU 41.A N LEU 38.A O no hydrogen 3.334 N/A THR 49.A OG1 ALA 51.A O no hydrogen 3.352 N/A GLY 50.A N ALA 327.A O no hydrogen 3.154 N/A ARG 53.A N ARG 325.A O no hydrogen 2.871 N/A GLU 55.A N ILE 323.A O no hydrogen 2.758 N/A LEU 56.A N ILE 323.A O no hydrogen 3.070 N/A LEU 57.A N ILE 82.A O no hydrogen 2.755 N/A VAL 58.A N ALA 321.A O no hydrogen 2.748 N/A MET 59.A N VAL 80.A O no hydrogen 2.796 N/A VAL 60.A N ILE 319.A O no hydrogen 2.773 N/A TYR 62.A N GLY 314.A O no hydrogen 2.970 N/A ARG 63.A NE ASP 74.A OD1 no hydrogen 2.654 N/A GLN 64.A N PRO 61.A O no hydrogen 2.989 N/A GLN 64.A NE2 GLU 67.A OE2 no hydrogen 2.804 N/A LEU 65.A N TYR 62.A O no hydrogen 3.175 N/A HIS 66.A N ARG 63.A O no hydrogen 3.151 N/A HIS 66.A ND1 ARG 63.A O no hydrogen 3.337 N/A GLU 67.A N GLN 64.A O no hydrogen 2.879 N/A ARG 68.A N LEU 65.A O no hydrogen 2.836 N/A ARG 68.A NH1 MET 288.A O no hydrogen 2.629 N/A GLY 69.A N HIS 66.A O no hydrogen 2.868 N/A PHE 70.A N LEU 65.A O no hydrogen 3.423 N/A HIS 73.A NE2 ALA 306.A O no hydrogen 3.078 N/A HIS 73.A NE2 GLU 309.A O no hydrogen 2.814 N/A GLY 76.A N ASP 74.A OD1 no hydrogen 3.340 N/A ALA 77.A N ASP 75.A OD2 no hydrogen 3.294 N/A VAL 80.A N MET 59.A O no hydrogen 3.117 N/A ALA 81.A N SER 33.A O no hydrogen 2.899 N/A ILE 82.A N LEU 57.A O no hydrogen 2.811 N/A THR 83.A N ALA 31.A O no hydrogen 3.001 N/A THR 83.A OG1 ALA 31.A O no hydrogen 3.420 N/A THR 83.A OG1 ASP 85.A OD1 no hydrogen 3.053 N/A THR 83.A OG1 ASP 85.A OD2 no hydrogen 3.476 N/A CYS 84.A N GLU 55.A O no hydrogen 2.859 N/A ASP 85.A N THR 83.A O no hydrogen 2.812 N/A GLU 86.A N ALA 29.A O no hydrogen 2.893 N/A HIS 87.A NE2 ASP 26.A OD1 no hydrogen 3.075 N/A GLU 88.A N VAL 27.A O no hydrogen 2.917 N/A VAL 90.A N ILE 25.A O no hydrogen 2.858 N/A ALA 92.A N ALA 23.A O no hydrogen 2.841 N/A LEU 94.A N SER 91.A OG no hydrogen 3.299 N/A ALA 95.A N SER 91.A O no hydrogen 3.005 N/A LEU 96.A N ALA 92.A O no hydrogen 2.974 N/A ALA 97.A N GLN 93.A O no hydrogen 3.187 N/A ALA 98.A N LEU 94.A O no hydrogen 3.095 N/A ALA 98.A N ALA 95.A O no hydrogen 2.821 N/A ILE 99.A N LEU 96.A O no hydrogen 3.126 N/A ALA 102.A N ASP 101.A OD2 no hydrogen 2.871 N/A THR 104.A OG1 PHE 382.A O no hydrogen 2.954 N/A ALA 105.A N ASP 103.A OD2 no hydrogen 3.259 N/A LEU 106.A N ASP 383.A OD1 no hydrogen 2.960 N/A LEU 106.A N ASP 383.A OD2 no hydrogen 3.462 N/A GLY 107.A N ASP 147.A O no hydrogen 2.769 N/A ARG 109.A NH2 SER 379.A OG no hydrogen 3.090 N/A HIS 110.A N GLU 145.A O no hydrogen 2.857 N/A HIS 110.A ND1 GLU 108.A O no hydrogen 3.133 N/A ASP 112.A N THR 143.A O no hydrogen 2.950 N/A ILE 113.A N ASP 112.A OD1 no hydrogen 2.524 N/A ALA 117.A N ASP 114.A OD2 no hydrogen 2.860 N/A TYR 118.A N ASP 114.A O no hydrogen 2.714 N/A TYR 118.A OH ILE 140.A O no hydrogen 2.595 N/A ALA 119.A N ASP 115.A O no hydrogen 2.868 N/A GLU 120.A N GLU 116.A O no hydrogen 3.080 N/A ILE 121.A N ALA 117.A O no hydrogen 3.153 N/A VAL 122.A N TYR 118.A O no hydrogen 2.922 N/A GLU 123.A N ALA 119.A O no hydrogen 3.019 N/A ARG 124.A N GLU 120.A O no hydrogen 2.996 N/A VAL 125.A N ILE 121.A O no hydrogen 2.979 N/A ILE 126.A N VAL 122.A O no hydrogen 3.128 N/A THR 127.A N GLU 123.A O no hydrogen 2.875 N/A THR 127.A OG1 GLU 123.A O no hydrogen 3.218 N/A ASP 128.A N ARG 124.A O no hydrogen 2.741 N/A GLU 129.A N VAL 125.A O no hydrogen 2.821 N/A ILE 130.A N VAL 125.A O no hydrogen 3.121 N/A GLY 131.A N ILE 126.A O no hydrogen 2.866 N/A THR 132.A N GLU 129.A O no hydrogen 3.031 N/A THR 132.A OG1 ASP 128.A O no hydrogen 2.586 N/A THR 132.A OG1 GLU 129.A O no hydrogen 3.276 N/A GLY 133.A N ILE 130.A O no hydrogen 3.356 N/A ALA 134.A N GLU 129.A O no hydrogen 2.895 N/A SER 136.A N SER 296.A O no hydrogen 3.118 N/A SER 136.A OG ASN 137.A OD1 no hydrogen 2.658 N/A ASN 137.A ND2 GLU 239.A OE2 no hydrogen 2.835 N/A PHE 138.A N LEU 358.A O no hydrogen 3.149 N/A VAL 139.A N THR 294.A O no hydrogen 2.960 N/A LYS 141.A N GLU 309.A OE2 no hydrogen 2.669 N/A LYS 141.A NZ ARG 313.A O no hydrogen 3.098 N/A ARG 142.A N VAL 354.A O no hydrogen 2.892 N/A ARG 142.A NH1 ILE 113.A O no hydrogen 2.757 N/A ARG 142.A NH1 ASP 115.A OD2 no hydrogen 3.078 N/A ARG 142.A NH2 ASP 115.A OD2 no hydrogen 3.041 N/A ARG 142.A NH2 THR 371.A OG1 no hydrogen 2.889 N/A THR 143.A N ASP 112.A OD1 no hydrogen 2.996 N/A LEU 144.A N ILE 352.A O no hydrogen 2.785 N/A GLU 145.A N HIS 110.A O no hydrogen 2.759 N/A GLY 146.A N VAL 350.A O no hydrogen 3.175 N/A ASP 147.A N GLY 107.A O no hydrogen 2.761 N/A LEU 148.A N GLY 348.A O no hydrogen 2.779 N/A TYR 151.A OH THR 182.A OG1 no hydrogen 2.551 N/A LYS 155.A N SER 152.A O no hydrogen 2.970 N/A LYS 155.A NZ ASP 103.A O no hydrogen 2.613 N/A LYS 155.A NZ ASP 149.A O no hydrogen 2.895 N/A LEU 157.A N PRO 153.A O no hydrogen 2.804 N/A ALA 158.A N ALA 154.A O no hydrogen 2.958 N/A VAL 159.A N LYS 155.A O no hydrogen 3.115 N/A PHE 160.A N ALA 156.A O no hydrogen 2.942 N/A LYS 161.A N LEU 157.A O no hydrogen 2.939 N/A LYS 161.A NZ LEU 96.A O no hydrogen 3.022 N/A LYS 161.A NZ ILE 99.A O no hydrogen 3.089 N/A ARG 162.A N ALA 158.A O no hydrogen 3.131 N/A ARG 162.A NH1 THR 104.A OG1 no hydrogen 2.721 N/A ARG 162.A NH1 ALA 381.A O no hydrogen 2.915 N/A ARG 162.A NH2 ALA 102.A O no hydrogen 2.955 N/A LEU 163.A N VAL 159.A O no hydrogen 2.963 N/A MET 164.A N PHE 160.A O no hydrogen 2.866 N/A ARG 165.A N LYS 161.A O no hydrogen 3.104 N/A ARG 165.A N ARG 162.A O no hydrogen 3.035 N/A ARG 166.A N LEU 163.A O no hydrogen 3.321 N/A GLU 167.A N LEU 163.A O no hydrogen 2.952 N/A VAL 168.A N GLU 167.A OE2 no hydrogen 3.004 N/A TYR 171.A N THR 187.A O no hydrogen 2.733 N/A TYR 171.A OH ASP 334.A OD1 no hydrogen 2.464 N/A TRP 172.A N THR 187.A O no hydrogen 3.225 N/A TRP 172.A NE1 ASP 334.A OD2 no hydrogen 3.296 N/A ILE 173.A N ALA 19.A O no hydrogen 3.021 N/A PHE 174.A N GLY 185.A O no hydrogen 3.021 N/A VAL 175.A N LEU 17.A O no hydrogen 3.098 N/A ILE 176.A N PHE 183.A O no hydrogen 2.748 N/A HIS 177.A N PHE 15.A O no hydrogen 2.819 N/A THR 178.A N ARG 181.A O no hydrogen 2.930 N/A THR 178.A OG1 ARG 181.A O no hydrogen 3.043 N/A ARG 181.A N THR 178.A OG1 no hydrogen 3.121 N/A THR 182.A N ILE 344.A O no hydrogen 2.948 N/A THR 182.A OG1 TYR 151.A OH no hydrogen 2.551 N/A PHE 183.A N ILE 176.A O no hydrogen 2.601 N/A VAL 184.A N ALA 342.A O no hydrogen 3.009 N/A GLY 185.A N PHE 174.A O no hydrogen 2.932 N/A ALA 186.A N ARG 340.A O no hydrogen 3.001 N/A THR 187.A N TRP 172.A O no hydrogen 2.983 N/A THR 187.A OG1 ILE 337.A O no hydrogen 2.779 N/A GLU 189.A N THR 187.A OG1 no hydrogen 3.330 N/A ARG 190.A NH1 THR 193.A OG1 no hydrogen 3.058 N/A HIS 191.A N SER 335.A O no hydrogen 2.872 N/A HIS 191.A NE2 THR 287.A OG1 no hydrogen 2.849 N/A LEU 192.A N SER 335.A OG no hydrogen 2.807 N/A THR 193.A N THR 200.A O no hydrogen 3.148 N/A LEU 194.A N LEU 333.A O no hydrogen 2.884 N/A HIS 195.A N CYS 198.A O no hydrogen 2.942 N/A CYS 198.A N HIS 195.A O no hydrogen 2.920 N/A CYS 198.A SG.A GLU 196.A O no hydrogen 3.660 N/A ALA 199.A N GLY 274.A O no hydrogen 2.798 N/A THR 200.A N THR 193.A O no hydrogen 2.886 N/A MET 201.A N ILE 272.A O no hydrogen 2.879 N/A ASN 202.A ND2 GLU 269.A OE2 no hydrogen 2.977 N/A ASN 202.A ND2 TYR 270.A O no hydrogen 2.806 N/A ILE 204.A N GLU 189.A OE1 no hydrogen 3.409 N/A SER 205.A N THR 268.A O no hydrogen 3.158 N/A SER 205.A OG GLU 232.A OE1 no hydrogen 2.858 N/A SER 205.A OG THR 357.A OG1 no hydrogen 3.206 N/A GLY 206.A N GLU 232.A OE1 no hydrogen 3.272 N/A THR 207.A N GLU 229.A OE1 no hydrogen 3.215 N/A THR 207.A OG1 HIS 267.A ND1 no hydrogen 3.049 N/A THR 207.A OG1 GLU 370.A OE2 no hydrogen 3.554 N/A TYR 208.A N ALA 266.A O no hydrogen 2.851 N/A TYR 210.A N ARG 264.A O no hydrogen 2.938 N/A TYR 210.A OH MET 262.A O no hydrogen 2.776 N/A GLY 214.A N PRO 211.A O no hydrogen 2.840 N/A THR 216.A N TYR 208.A OH no hydrogen 3.069 N/A GLY 219.A N THR 216.A OG1 no hydrogen 2.726 N/A ILE 220.A N THR 216.A O no hydrogen 3.004 N/A ASN 221.A N ILE 217.A O no hydrogen 2.948 N/A ALA 222.A N ASP 218.A O no hydrogen 3.013 N/A PHE 223.A N GLY 219.A O no hydrogen 2.996 N/A LEU 224.A N ILE 220.A O no hydrogen 2.792 N/A GLY 225.A N ASN 221.A O no hydrogen 2.937 N/A GLY 225.A N ALA 222.A O no hydrogen 3.258 N/A ASP 226.A N PHE 223.A O no hydrogen 3.040 N/A ARG 227.A NE ASP 231.A OD1 no hydrogen 3.522 N/A ARG 227.A NE ASP 231.A OD2 no hydrogen 3.247 N/A LYS 228.A N ASP 226.A OD2 no hydrogen 2.982 N/A LYS 228.A NZ GLU 229.A OE2 no hydrogen 3.276 N/A LYS 228.A NZ GLU 232.A OE2 no hydrogen 2.725 N/A LYS 228.A NZ GLU 367.A OE2 no hydrogen 2.901 N/A SER 230.A N ASP 226.A O no hydrogen 3.023 N/A SER 230.A OG.B ASP 226.A O no hydrogen 2.679 N/A ASP 231.A N ARG 227.A O no hydrogen 2.888 N/A GLU 232.A N LYS 228.A O no hydrogen 2.947 N/A LEU 233.A N GLU 229.A O no hydrogen 3.264 N/A TYR 234.A N SER 230.A O no hydrogen 3.136 N/A MET 235.A N ASP 231.A O no hydrogen 2.894 N/A VAL 236.A N GLU 232.A O no hydrogen 3.303 N/A LEU 237.A N LEU 233.A O no hydrogen 2.783 N/A ASP 238.A N TYR 234.A O no hydrogen 2.917 N/A GLU 239.A N MET 235.A O no hydrogen 3.080 N/A GLU 240.A N VAL 236.A O no hydrogen 2.941 N/A LEU 241.A N LEU 237.A O no hydrogen 2.898 N/A LYS 242.A N ASP 238.A O no hydrogen 3.070 N/A MET 243.A N GLU 239.A O no hydrogen 3.342 N/A MET 244.A N GLU 240.A O no hydrogen 2.931 N/A ALA 245.A N LEU 241.A O no hydrogen 2.776 N/A ARG 246.A N LYS 242.A O no hydrogen 3.060 N/A ARG 246.A N MET 243.A O no hydrogen 2.978 N/A ARG 246.A NH1 GLU 286.A O no hydrogen 3.302 N/A ILE 247.A N MET 243.A O no hydrogen 3.107 N/A CYS 248.A N MET 244.A O no hydrogen 2.863 N/A GLY 251.A N CYS 248.A O no hydrogen 2.861 N/A GLN 253.A N VAL 273.A O no hydrogen 2.728 N/A THR 255.A N PHE 271.A O no hydrogen 2.916 N/A HIS 258.A N GLU 269.A O no hydrogen 2.646 N/A ARG 260.A N HIS 267.A O no hydrogen 2.744 N/A ARG 260.A NE GLU 269.A OE1 no hydrogen 3.062 N/A ARG 260.A NH1 GLY 169.A O no hydrogen 2.823 N/A ARG 260.A NH1 PRO 188.A O no hydrogen 2.677 N/A ARG 260.A NH2 PRO 188.A O no hydrogen 3.139 N/A ARG 260.A NH2 GLU 269.A OE2 no hydrogen 2.781 N/A MET 262.A N LEU 265.A O no hydrogen 2.847 N/A ALA 263.A N GLU 167.A OE2 no hydrogen 2.831 N/A ARG 264.A NE ASN 380.A OD1 no hydrogen 3.427 N/A ARG 264.A NH2 ASN 380.A OD1 no hydrogen 3.497 N/A ALA 266.A N TYR 208.A O no hydrogen 2.969 N/A HIS 267.A N ARG 260.A O no hydrogen 2.782 N/A HIS 267.A ND1 GLY 206.A O no hydrogen 3.174 N/A THR 268.A N GLY 206.A O no hydrogen 3.280 N/A THR 268.A OG1 SER 205.A O no hydrogen 2.635 N/A GLU 269.A N HIS 258.A O no hydrogen 2.896 N/A TYR 270.A N PRO 203.A O no hydrogen 3.100 N/A PHE 271.A N THR 255.A O no hydrogen 2.816 N/A ILE 272.A N MET 201.A O no hydrogen 2.945 N/A VAL 273.A N GLN 253.A O no hydrogen 3.042 N/A GLY 274.A N ALA 199.A O no hydrogen 2.992 N/A THR 276.A N GLY 197.A O no hydrogen 2.935 N/A THR 276.A OG1 ILE 247.A O no hydrogen 2.871 N/A ALA 278.A N THR 276.A OG1 no hydrogen 3.310 N/A ARG 281.A N ASP 279.A OD1 no hydrogen 2.776 N/A LEU 283.A N ASP 279.A O no hydrogen 2.981 N/A LEU 284.A N VAL 280.A O no hydrogen 2.978 N/A ARG 285.A N ARG 281.A O no hydrogen 2.982 N/A ARG 285.A NH1 GLU 67.A OE1 no hydrogen 3.244 N/A GLU 286.A N ASP 282.A O no hydrogen 2.867 N/A THR 287.A N LEU 283.A O no hydrogen 3.002 N/A THR 287.A N LEU 284.A O no hydrogen 3.234 N/A THR 287.A OG1 HIS 191.A NE2 no hydrogen 2.849 N/A THR 287.A OG1 LEU 283.A O no hydrogen 2.726 N/A THR 287.A OG1 LEU 284.A O no hydrogen 3.366 N/A MET 288.A N ARG 285.A O no hydrogen 3.351 N/A THR 292.A OG1 GLU 189.A OE1 no hydrogen 2.814 N/A THR 292.A OG1 GLU 189.A OE2 no hydrogen 3.449 N/A VAL 293.A N ALA 290.A O no hydrogen 3.205 N/A THR 294.A N PRO 291.A O no hydrogen 3.221 N/A THR 294.A OG1 ALA 290.A O no hydrogen 2.862 N/A SER 296.A N ASN 137.A O no hydrogen 2.874 N/A SER 296.A OG GLU 239.A OE1 no hydrogen 2.883 N/A SER 300.A OG ALA 134.A O no hydrogen 2.716 N/A ALA 301.A N PRO 297.A O no hydrogen 2.882 N/A THR 302.A N ILE 298.A O no hydrogen 3.007 N/A THR 302.A OG1 GLU 299.A O no hydrogen 2.671 N/A ARG 303.A N GLU 299.A O no hydrogen 3.302 N/A VAL 304.A N SER 300.A O no hydrogen 2.875 N/A ILE 305.A N ALA 301.A O no hydrogen 2.743 N/A ALA 306.A N THR 302.A O no hydrogen 3.111 N/A ARG 307.A N ARG 303.A O no hydrogen 3.128 N/A ARG 307.A N VAL 304.A O no hydrogen 3.116 N/A ARG 307.A NE GLU 129.A OE2 no hydrogen 2.885 N/A ARG 307.A NH2 GLU 129.A OE1 no hydrogen 2.590 N/A ARG 307.A NH2 GLU 129.A OE2 no hydrogen 3.328 N/A HIS 308.A N VAL 304.A O no hydrogen 3.199 N/A HIS 308.A N ILE 305.A O no hydrogen 3.249 N/A HIS 308.A NE2 GLU 129.A OE2 no hydrogen 2.719 N/A GLU 309.A N ILE 305.A O no hydrogen 2.903 N/A ARG 313.A NE GLU 309.A OE1 no hydrogen 3.177 N/A ARG 313.A NE GLU 309.A OE2 no hydrogen 3.369 N/A ARG 313.A NH1 VAL 293.A O no hydrogen 2.925 N/A ARG 313.A NH1 SER 317.A OG no hydrogen 3.308 N/A ARG 313.A NH2 VAL 139.A O no hydrogen 2.935 N/A ARG 313.A NH2 GLU 309.A OE2 no hydrogen 2.852 N/A GLY 314.A N ASP 75.A OD1 no hydrogen 2.897 N/A TYR 315.A N GLU 343.A OE1 no hydrogen 2.762 N/A TYR 315.A OH PRO 78.A O no hydrogen 2.516 N/A TYR 316.A N ARG 313.A O no hydrogen 2.992 N/A SER 317.A N LEU 338.A O no hydrogen 2.916 N/A SER 317.A OG TYR 316.A O no hydrogen 2.763 N/A GLY 318.A N TYR 315.A O no hydrogen 2.835 N/A ILE 319.A N VAL 60.A O no hydrogen 3.244 N/A ALA 320.A N ALA 336.A O no hydrogen 3.012 N/A ALA 321.A N VAL 58.A O no hydrogen 2.804 N/A LEU 322.A N ASP 334.A O no hydrogen 2.784 N/A ILE 323.A N LEU 56.A O no hydrogen 2.867 N/A GLY 324.A N THR 332.A O no hydrogen 3.003 N/A ARG 325.A N ARG 53.A O no hydrogen 2.806 N/A ARG 325.A NH1 GLY 329.A O no hydrogen 3.143 N/A ASP 326.A N GLY 330.A O no hydrogen 2.784 N/A GLY 329.A N ASP 326.A O no hydrogen 2.899 N/A GLY 330.A N ASP 326.A OD1 no hydrogen 2.637 N/A ARG 331.A NH1 GLU 55.A OE2 no hydrogen 2.907 N/A ARG 331.A NH1 GLY 324.A O no hydrogen 2.929 N/A THR 332.A N GLY 324.A O no hydrogen 2.857 N/A LEU 333.A N LEU 194.A O no hydrogen 3.083 N/A ASP 334.A N LEU 322.A O no hydrogen 2.925 N/A SER 335.A N LEU 192.A O no hydrogen 3.154 N/A SER 335.A OG LEU 192.A O no hydrogen 2.496 N/A ALA 336.A N ALA 320.A O no hydrogen 2.910 N/A ILE 337.A N GLU 189.A O no hydrogen 2.882 N/A LEU 338.A N GLY 318.A O no hydrogen 2.913 N/A ILE 339.A N ILE 337.A O no hydrogen 2.884 N/A ARG 340.A NH1 HIS 267.A NE2 no hydrogen 3.207 N/A ARG 340.A NH2 HIS 267.A NE2 no hydrogen 3.202 N/A THR 341.A OG1 ILE 339.A O no hydrogen 2.834 N/A ALA 342.A N VAL 184.A O no hydrogen 2.643 N/A GLU 343.A N ARG 351.A O no hydrogen 2.808 N/A ILE 344.A N THR 182.A O no hydrogen 2.844 N/A ASP 345.A N HIS 349.A O no hydrogen 3.090 N/A GLY 348.A N ASP 345.A O no hydrogen 2.920 N/A HIS 349.A N ASP 345.A OD1 no hydrogen 2.870 N/A VAL 350.A N GLY 146.A O no hydrogen 2.768 N/A ARG 351.A N GLU 343.A O no hydrogen 2.871 N/A ILE 352.A N LEU 144.A O no hydrogen 2.798 N/A VAL 354.A N ARG 142.A O no hydrogen 2.820 N/A SER 356.A OG GLU 367.A OE1 no hydrogen 3.013 N/A THR 357.A OG1 SER 205.A OG no hydrogen 3.206 N/A LEU 358.A N PHE 138.A O no hydrogen 2.684 N/A VAL 359.A N SER 362.A OG no hydrogen 2.770 N/A ARG 360.A NH1 ASP 231.A OD2 no hydrogen 3.429 N/A ARG 360.A NH2 ASP 231.A OD2 no hydrogen 2.939 N/A HIS 361.A NE2 ASP 231.A OD2 no hydrogen 2.937 N/A SER 362.A N VAL 359.A O no hydrogen 2.916 N/A SER 362.A OG VAL 359.A O no hydrogen 3.193 N/A SER 362.A OG GLU 367.A OE2 no hydrogen 2.742 N/A SER 366.A N ASP 363.A OD2 no hydrogen 2.884 N/A SER 366.A OG ASP 363.A OD2 no hydrogen 2.987 N/A GLU 367.A N ASP 363.A O no hydrogen 3.142 N/A VAL 368.A N ALA 364.A O no hydrogen 3.012 N/A MET 369.A N VAL 365.A O no hydrogen 2.925 N/A GLU 370.A N SER 366.A O no hydrogen 2.692 N/A THR 371.A N GLU 367.A O no hydrogen 3.022 N/A THR 371.A OG1 VAL 368.A O no hydrogen 2.577 N/A HIS 372.A N VAL 368.A O no hydrogen 3.271 N/A HIS 372.A NE2 ASP 115.A OD1 no hydrogen 3.250 N/A ALA 373.A N MET 369.A O no hydrogen 2.940 N/A LYS 374.A N GLU 370.A O no hydrogen 3.062 N/A LYS 374.A NZ GLY 355.A O no hydrogen 2.815 N/A LYS 374.A NZ GLU 370.A OE2 no hydrogen 3.345 N/A VAL 375.A N THR 371.A O no hydrogen 3.109 N/A ALA 376.A N ALA 373.A O no hydrogen 3.280 N/A SER 379.A N VAL 375.A O no hydrogen 2.848 N/A ASN 380.A N ALA 376.A O no hydrogen 2.914 N/A ALA 381.A N ALA 377.A O no hydrogen 2.966 N/A ALA 381.A N LEU 378.A O no hydrogen 2.796 N/A PHE 382.A N LEU 378.A O no hydrogen 3.207 N/A PHE 382.A N SER 379.A O no hydrogen 3.177 N/A ASP 383.A N SER 379.A O no hydrogen 3.041 N/A GLN 389.A N ALA 386.A O no hydrogen 2.626 N/A HIS 390.A N LEU 387.A O no hydrogen 3.030 N/A SER 392.A N HIS 390.A ND1 no hydrogen 3.071 N/A GLN 394.A N HIS 390.A O no hydrogen 2.883 N/A ALA 395.A N PRO 391.A O no hydrogen 2.925 N/A ALA 396.A N SER 392.A O no hydrogen 3.002 N/A LEU 397.A N VAL 393.A O no hydrogen 2.909 N/A ARG 398.A N GLN 394.A O no hydrogen 3.084 N/A GLU 399.A N ALA 395.A O no hydrogen 2.954 N/A ARG 400.A N LEU 397.A O no hydrogen 3.110 N/A ASN 401.A N ARG 398.A O no hydrogen 3.195 N/A GLU 402.A N GLU 399.A O no hydrogen 2.961 N/A ALA 405.A N VAL 590.A O no hydrogen 2.959 N/A TRP 408.A NE1 GLU 588.A O no hydrogen 2.824 N/A PHE 409.A N ASP 406.A O no hydrogen 3.001 N/A ARG 410.A N PHE 407.A O no hydrogen 3.002 N/A ARG 415.A N GLY 413.A O no hydrogen 2.875 N/A ARG 415.A NH1 PHE 407.A O no hydrogen 3.318 N/A GLY 420.A N GLY 444.A O no hydrogen 3.196 N/A CYS 421.A N LEU 418.A O no hydrogen 2.937 N/A ARG 422.A N ASP 462.A OD1 no hydrogen 2.981 N/A ALA 423.A N ALA 446.A O no hydrogen 2.859 N/A LEU 424.A N VAL 463.A O no hydrogen 3.080 N/A ILE 425.A N GLU 448.A O no hydrogen 2.709 N/A VAL 426.A N VAL 465.A O no hydrogen 2.795 N/A ASP 427.A N CYS 450.A O no hydrogen 2.627 N/A GLU 429.A N ASP 427.A OD1 no hydrogen 3.037 N/A PHE 432.A N ASP 430.A OD1 no hydrogen 2.813 N/A THR 433.A N ASP 430.A O no hydrogen 3.323 N/A THR 433.A OG1 ASP 427.A OD2 no hydrogen 2.861 N/A THR 433.A OG1 ASP 430.A O no hydrogen 3.358 N/A ALA 434.A N HIS 431.A O no hydrogen 3.046 N/A ILE 436.A N PHE 432.A O no hydrogen 2.968 N/A ALA 437.A N THR 433.A O no hydrogen 2.894 N/A GLN 438.A N ALA 434.A O no hydrogen 3.198 N/A GLN 439.A N MET 435.A O no hydrogen 3.191 N/A LEU 440.A N ILE 436.A O no hydrogen 2.963 N/A SER 441.A N ALA 437.A O no hydrogen 2.854 N/A SER 442.A N GLN 438.A O no hydrogen 3.087 N/A SER 442.A OG GLN 439.A O no hydrogen 2.536 N/A LEU 443.A N GLN 439.A O no hydrogen 3.309 N/A LEU 443.A N LEU 440.A O no hydrogen 2.829 N/A GLY 444.A N SER 441.A O no hydrogen 2.960 N/A LEU 445.A N LEU 440.A O no hydrogen 3.322 N/A ALA 446.A N CYS 421.A O no hydrogen 2.963 N/A GLU 448.A N ALA 423.A O no hydrogen 3.129 N/A CYS 450.A N ILE 425.A O no hydrogen 2.879 N/A CYS 450.A SG GLY 451.A O no hydrogen 3.696 N/A GLY 451.A N ASP 454.A OD2 no hydrogen 3.250 N/A ASP 454.A N GLY 451.A O no hydrogen 3.187 N/A TYR 461.A OH GLU 448.A OE1 no hydrogen 2.795 N/A ASP 462.A N ARG 422.A O no hydrogen 2.839 N/A VAL 463.A N ARG 422.A O no hydrogen 3.412 N/A VAL 464.A N PRO 497.A O no hydrogen 3.005 N/A VAL 465.A N LEU 424.A O no hydrogen 2.726 N/A MET 466.A N MET 499.A O no hydrogen 2.905 N/A GLY 467.A N VAL 426.A O no hydrogen 2.835 N/A SER 474.A N ASP 472.A OD2 no hydrogen 2.623 N/A ASP 475.A N ASP 472.A O no hydrogen 3.043 N/A ALA 476.A N SER 474.A O no hydrogen 3.093 N/A ASP 478.A N ASP 475.A O no hydrogen 3.030 N/A ARG 480.A N ASP 478.A OD1 no hydrogen 3.124 N/A ARG 480.A NE ALA 428.A O no hydrogen 3.072 N/A ARG 480.A NH2 ALA 428.A O no hydrogen 3.468 N/A ARG 480.A NH2 PRO 470.A O no hydrogen 2.385 N/A ILE 481.A N ASP 478.A OD1 no hydrogen 3.319 N/A ALA 482.A N ASP 478.A O no hydrogen 2.764 N/A ARG 483.A N PRO 479.A O no hydrogen 2.976 N/A ARG 483.A NE VAL 452.A O no hydrogen 3.175 N/A LEU 484.A N ARG 480.A O no hydrogen 3.124 N/A LEU 484.A N ILE 481.A O no hydrogen 3.010 N/A TYR 485.A N ILE 481.A O no hydrogen 3.159 N/A TYR 485.A OH PRO 473.A O no hydrogen 2.663 N/A ALA 486.A N ALA 482.A O no hydrogen 3.178 N/A TRP 487.A N ARG 483.A O no hydrogen 3.098 N/A TRP 487.A NE1 VAL 452.A O no hydrogen 2.757 N/A LEU 488.A N LEU 484.A O no hydrogen 3.073 N/A ARG 489.A N TYR 485.A O no hydrogen 3.002 N/A HIS 490.A N ALA 486.A O no hydrogen 3.098 N/A LEU 491.A N TRP 487.A O no hydrogen 2.827 N/A ILE 492.A N LEU 488.A O no hydrogen 2.876 N/A ASP 493.A N ARG 489.A O no hydrogen 2.959 N/A GLU 494.A N HIS 490.A O no hydrogen 2.996 N/A GLY 495.A N ILE 492.A O no hydrogen 3.150 N/A LYS 496.A N LEU 491.A O no hydrogen 3.049 N/A LYS 496.A NZ LEU 458.A O no hydrogen 2.622 N/A LYS 496.A NZ TYR 461.A O no hydrogen 3.092 N/A PHE 498.A N THR 579.A O no hydrogen 3.448 N/A MET 499.A N VAL 464.A O no hydrogen 2.926 N/A ALA 500.A N SER 581.A O no hydrogen 2.938 N/A VAL 501.A N MET 466.A O no hydrogen 2.848 N/A SER 503.A N VAL 501.A O no hydrogen 3.080 N/A SER 503.A OG GLY 467.A O no hydrogen 2.690 N/A HIS 504.A ND1 SER 582.A OG no hydrogen 2.765 N/A GLN 505.A NE2 GLN 584.A OE1 no hydrogen 3.286 N/A ILE 506.A N LEU 502.A O no hydrogen 2.880 N/A LEU 507.A N SER 503.A O no hydrogen 2.879 N/A ASN 508.A N HIS 504.A O no hydrogen 3.031 N/A ASN 508.A ND2 HIS 504.A O no hydrogen 2.774 N/A ALA 509.A N GLN 505.A O no hydrogen 3.069 N/A ILE 510.A N ILE 506.A O no hydrogen 2.930 N/A LEU 511.A N LEU 507.A O no hydrogen 2.956 N/A GLY 512.A N ALA 509.A O no hydrogen 2.983 N/A ILE 513.A N ASN 508.A O no hydrogen 2.902 N/A VAL 516.A N VAL 545.A O no hydrogen 2.758 N/A ARG 518.A N THR 543.A O no hydrogen 2.758 N/A ARG 518.A NE VAL 520.A O no hydrogen 2.996 N/A ARG 518.A NH2 VAL 520.A O no hydrogen 3.115 N/A ASN 522.A N ASN 542.A O no hydrogen 2.737 N/A GLN 523.A NE2 THR 543.A OG1 no hydrogen 2.804 N/A GLY 524.A N PHE 540.A O no hydrogen 2.758 N/A ILE 525.A N PHE 540.A O no hydrogen 3.112 N/A GLN 526.A NE2 GLY 403.A O no hydrogen 2.899 N/A GLN 526.A NE2 LEU 591.A O no hydrogen 2.615 N/A VAL 527.A N VAL 538.A O no hydrogen 2.913 N/A ILE 529.A N GLU 536.A O no hydrogen 2.790 N/A LEU 531.A N GLN 534.A O no hydrogen 2.874 N/A GLU 536.A N ILE 529.A O no hydrogen 2.878 N/A VAL 538.A N VAL 527.A O no hydrogen 3.090 N/A GLY 539.A N THR 592.A OG1 no hydrogen 3.018 N/A PHE 540.A N ILE 525.A O no hydrogen 2.797 N/A ASN 542.A N ASN 522.A O no hydrogen 2.972 N/A ASN 542.A ND2 TYR 544.A O no hydrogen 3.015 N/A VAL 545.A N VAL 516.A O no hydrogen 2.755 N/A GLN 547.A N PRO 514.A O no hydrogen 2.845 N/A GLN 547.A NE2 THR 569.A O no hydrogen 3.196 N/A THR 548.A N GLY 570.A O no hydrogen 2.946 N/A ARG 550.A N THR 548.A OG1 no hydrogen 3.087 N/A MET 553.A N VAL 561.A O no hydrogen 2.908 N/A VAL 555.A N GLY 559.A O no hydrogen 2.895 N/A VAL 558.A N VAL 555.A O no hydrogen 2.958 N/A GLY 559.A N VAL 555.A O no hydrogen 2.964 N/A THR 560.A OG1 ASP 554.A OD1 no hydrogen 2.743 N/A VAL 561.A N MET 553.A O no hydrogen 2.783 N/A ALA 562.A N ARG 576.A O no hydrogen 2.775 N/A ILE 563.A N ASP 551.A O no hydrogen 3.103 N/A SER 564.A N ALA 574.A O no hydrogen 2.800 N/A ARG 565.A NE THR 548.A O no hydrogen 2.774 N/A ARG 565.A NH1 ASP 551.A OD2 no hydrogen 2.826 N/A ARG 565.A NH2 THR 548.A O no hydrogen 3.039 N/A ASP 566.A N GLU 571.A O no hydrogen 2.800 N/A ARG 568.A N ASP 566.A OD2 no hydrogen 2.938 N/A THR 569.A N ASP 566.A OD2 no hydrogen 3.491 N/A GLY 570.A N ASP 566.A O no hydrogen 2.696 N/A GLU 571.A N THR 569.A OG1 no hydrogen 3.086 N/A VAL 572.A N ALA 546.A O no hydrogen 2.830 N/A HIS 573.A N SER 564.A O no hydrogen 2.772 N/A ALA 574.A N SER 564.A O no hydrogen 3.239 N/A LEU 575.A N SER 582.A O no hydrogen 3.044 N/A LEU 575.A N SER 582.A OG no hydrogen 3.219 N/A ARG 576.A N ALA 562.A O no hydrogen 2.809 N/A GLY 577.A N PHE 580.A O no hydrogen 2.925 N/A SER 581.A N PHE 498.A O no hydrogen 2.914 N/A SER 581.A OG ALA 602.A O no hydrogen 2.760 N/A SER 582.A N LEU 575.A O no hydrogen 2.909 N/A SER 582.A OG HIS 504.A ND1 no hydrogen 2.765 N/A MET 583.A N ALA 500.A O no hydrogen 2.907 N/A GLN 584.A N HIS 573.A O no hydrogen 2.814 N/A GLN 584.A NE2 GLN 584.A O no hydrogen 2.977 N/A HIS 586.A N GLY 539.A O no hydrogen 2.832 N/A HIS 586.A ND1 GLU 588.A OE2 no hydrogen 2.674 N/A GLU 588.A N GLU 588.A OE1 no hydrogen 2.600 N/A SER 589.A N HIS 586.A O no hydrogen 3.092 N/A LEU 591.A N SER 589.A OG no hydrogen 2.969 N/A THR 592.A N SER 589.A O no hydrogen 3.158 N/A THR 592.A OG1 HIS 586.A O no hydrogen 2.554 N/A VAL 593.A N ARG 537.A O no hydrogen 2.885 N/A ARG 597.A NH2 GLU 536.A OE1 no hydrogen 2.627 N/A ILE 598.A N ASP 594.A O no hydrogen 3.210 N/A LEU 599.A N GLY 595.A O no hydrogen 2.892 N/A GLY 600.A N PRO 596.A O no hydrogen 2.959 N/A GLU 601.A N ARG 597.A O no hydrogen 2.919 N/A ALA 602.A N ILE 598.A O no hydrogen 2.923 N/A ILE 603.A N LEU 599.A O no hydrogen 2.761 N/A THR 604.A N GLY 600.A O no hydrogen 2.808 N/A THR 604.A OG1 GLY 600.A O no hydrogen 2.776 N/A HIS 605.A N GLU 601.A O no hydrogen 3.119 N/A HIS 605.A NE2 GLY 577.A O no hydrogen 2.685 N/A ALA 606.A N ALA 602.A O no hydrogen 3.019 N/A ILE 607.A N ILE 603.A O no hydrogen 3.179 N/A ARG 608.A N HIS 605.A O no hydrogen 3.031 N/A GLU 610.A N ILE 607.A O no hydrogen 3.270 N/A LYS 611.A N ILE 607.A O no hydrogen 3.423 N/A