Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ddg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 ASP 222.A OD1 no hydrogen 2.724 N/A VAL 5.A N ASP 3.A OD1 no hydrogen 2.880 N/A GLN 6.A N ASP 3.A OD1 no hydrogen 2.984 N/A GLN 6.A NE2 ASP 3.A OD2 no hydrogen 2.741 N/A ASP 12.A N THR 369.A OG1 no hydrogen 2.934 N/A VAL 13.A N THR 369.A O no hydrogen 3.022 N/A GLN 14.A NE2 SER 371.A OG no hydrogen 2.989 N/A MET 15.A N SER 371.A O no hydrogen 2.964 N/A LEU 16.A N GLN 14.A OE1 no hydrogen 2.974 N/A GLU 17.A N GLN 14.A OE1 no hydrogen 3.405 N/A LEU 18.A N GLN 14.A O no hydrogen 2.847 N/A TYR 19.A N MET 15.A O no hydrogen 2.904 N/A ASP 20.A N LEU 16.A O no hydrogen 3.056 N/A ARG 21.A N GLU 17.A O no hydrogen 3.264 N/A ARG 21.A N LEU 18.A O no hydrogen 3.166 N/A ARG 21.A NH1 GLU 17.A OE1 no hydrogen 2.593 N/A MET 22.A N LEU 18.A O no hydrogen 2.996 N/A GLY 29.A N LYS 33.A O no hydrogen 2.859 N/A GLY 30.A N ASP 28.A OD1 no hydrogen 2.969 N/A LYS 33.A NZ GLY 30.A O no hydrogen 3.058 N/A GLN 34.A NE2 ASP 379.A O no hydrogen 2.786 N/A GLY 35.A N TRP 32.A O no hydrogen 3.031 N/A TYR 40.A OH ASP 290.A OD1 no hydrogen 2.611 N/A LEU 43.A N ASP 41.A OD1 no hydrogen 3.022 N/A LYS 44.A N ASP 41.A O no hydrogen 2.798 N/A LYS 44.A NZ GLU 297.A OE2 no hydrogen 2.982 N/A ASN 46.A N HIS 49.A O no hydrogen 2.936 N/A HIS 48.A N ASN 46.A OD1 no hydrogen 2.998 N/A HIS 49.A N ASN 46.A O no hydrogen 3.007 N/A LEU 51.A N ASN 341.A O no hydrogen 2.900 N/A LYS 52.A N ASN 302.A O no hydrogen 2.928 N/A VAL 53.A N GLN 343.A O no hydrogen 2.867 N/A PHE 54.A N LEU 304.A O no hydrogen 2.872 N/A VAL 55.A N GLN 345.A O no hydrogen 2.882 N/A VAL 56.A N ILE 306.A O no hydrogen 2.823 N/A HIS 58.A N LEU 308.A O no hydrogen 3.017 N/A SER 59.A OG ARG 313.A O no hydrogen 2.693 N/A HIS 60.A N ASP 310.A O no hydrogen 2.964 N/A ASN 61.A N GLU 100.A OE2 no hydrogen 3.249 N/A ASN 61.A ND2 SER 59.A O no hydrogen 2.901 N/A ASN 61.A ND2 SER 59.A OG no hydrogen 2.861 N/A GLY 64.A N ASP 62.A O no hydrogen 2.670 N/A TRP 65.A N GLN 67.A O no hydrogen 2.905 N/A ILE 66.A N TYR 72.A OH no hydrogen 3.094 N/A GLN 67.A NE2.B ILE 66.A O no hydrogen 2.910 N/A THR 68.A N GLU 71.A OE1 no hydrogen 2.761 N/A GLU 71.A N THR 68.A OG1 no hydrogen 3.081 N/A TYR 72.A N THR 68.A O no hydrogen 2.887 N/A TYR 73.A N PHE 69.A O no hydrogen 2.891 N/A GLN 74.A N GLU 70.A O no hydrogen 2.990 N/A GLN 74.A NE2 GLU 70.A OE2 no hydrogen 2.981 N/A HIS 75.A N.A GLU 71.A O no hydrogen 2.964 N/A HIS 75.A N.B GLU 71.A O no hydrogen 2.984 N/A HIS 75.A ND1.A GLN 67.A OE1.A no hydrogen 2.579 N/A HIS 75.A ND1.B ASP 76.A OD2 no hydrogen 3.005 N/A ASP 76.A N TYR 72.A O no hydrogen 2.848 N/A THR 77.A N TYR 72.A O no hydrogen 2.945 N/A THR 77.A OG1 ASN 61.A OD1 no hydrogen 2.726 N/A LYS 78.A N TYR 73.A O no hydrogen 2.848 N/A LYS 78.A NZ GLN 74.A OE1 no hydrogen 2.741 N/A HIS 79.A N ASP 76.A O no hydrogen 3.076 N/A ILE 80.A N ASP 76.A O no hydrogen 2.966 N/A LEU 81.A N THR 77.A O no hydrogen 2.980 N/A SER 82.A N LYS 78.A O no hydrogen 2.984 N/A ASN 83.A N HIS 79.A O no hydrogen 2.870 N/A ASN 83.A ND2 LYS 315.A O no hydrogen 2.802 N/A ALA 84.A N ILE 80.A O no hydrogen 2.788 N/A LEU 85.A N LEU 81.A O no hydrogen 2.989 N/A ARG 86.A N SER 82.A O no hydrogen 3.168 N/A HIS 87.A N ASN 83.A O no hydrogen 2.810 N/A LEU 88.A N ALA 84.A O no hydrogen 2.853 N/A HIS 89.A N LEU 85.A O no hydrogen 2.991 N/A HIS 89.A ND1 ASP 90.A OD1 no hydrogen 2.900 N/A ASP 90.A N ARG 86.A O no hydrogen 3.071 N/A ASN 91.A N LEU 88.A O no hydrogen 3.331 N/A ASN 91.A ND2 HIS 87.A O no hydrogen 2.926 N/A MET 94.A N ASN 91.A O no hydrogen 2.995 N/A LYS 95.A NZ GLU 351.A OE2 no hydrogen 3.476 N/A PHE 96.A N GLN 127.A O no hydrogen 2.959 N/A ILE 97.A N PRO 57.A O no hydrogen 3.089 N/A TRP 98.A N GLU 129.A O no hydrogen 2.894 N/A TRP 98.A NE1 GLU 100.A O no hydrogen 2.883 N/A ILE 101.A N GLY 134.A O no hydrogen 3.013 N/A SER 102.A N TRP 135.A O no hydrogen 2.926 N/A SER 102.A OG TRP 135.A O no hydrogen 2.887 N/A TYR 103.A OH ASP 62.A O no hydrogen 2.756 N/A PHE 104.A N GLU 100.A O no hydrogen 3.342 N/A ALA 105.A N ILE 101.A O no hydrogen 2.740 N/A ARG 106.A N SER 102.A O no hydrogen 3.199 N/A ARG 106.A NE GLU 70.A OE1 no hydrogen 3.043 N/A ARG 106.A NH1 ARG 106.A O no hydrogen 3.525 N/A ARG 106.A NH1 ASP 110.A OD2 no hydrogen 2.900 N/A ARG 106.A NH2 GLU 70.A OE2 no hydrogen 2.891 N/A PHE 107.A N TYR 103.A O no hydrogen 2.989 N/A TYR 108.A N PHE 104.A O no hydrogen 2.776 N/A HIS 109.A N ALA 105.A O no hydrogen 3.073 N/A ASP 110.A N PHE 107.A O no hydrogen 2.951 N/A LEU 111.A N TYR 108.A O no hydrogen 3.075 N/A LYS 116.A N GLY 112.A O no hydrogen 2.898 N/A LEU 117.A N GLU 113.A O no hydrogen 3.061 N/A GLN 118.A N ASN 114.A O no hydrogen 3.268 N/A MET 119.A N LYS 115.A O no hydrogen 2.942 N/A LYS 120.A N LYS 116.A O no hydrogen 2.860 N/A SER 121.A N LEU 117.A O no hydrogen 3.073 N/A SER 121.A OG GLN 118.A O no hydrogen 2.580 N/A ILE 122.A N GLN 118.A O no hydrogen 3.090 N/A VAL 123.A N MET 119.A O no hydrogen 3.197 N/A LYS 124.A N LYS 120.A O no hydrogen 2.840 N/A ASN 125.A N SER 121.A O no hydrogen 2.988 N/A ASN 125.A ND2 GLN 127.A OE1 no hydrogen 3.017 N/A GLY 126.A N VAL 123.A O no hydrogen 3.036 N/A GLN 127.A N ILE 122.A O no hydrogen 3.045 N/A GLN 127.A N ASN 125.A OD1 no hydrogen 2.896 N/A GLN 127.A NE2 LEU 88.A O no hydrogen 2.890 N/A GLN 127.A NE2 MET 94.A O no hydrogen 2.968 N/A LEU 128.A N ILE 122.A O no hydrogen 3.110 N/A GLU 129.A N PHE 96.A O no hydrogen 2.944 N/A VAL 131.A N TRP 98.A O no hydrogen 2.906 N/A THR 132.A N ALA 169.A O no hydrogen 2.797 N/A THR 132.A OG1 SER 170.A OG no hydrogen 2.729 N/A GLY 133.A N VAL 131.A O no hydrogen 2.650 N/A TRP 135.A N GLN 151.A O no hydrogen 2.912 N/A VAL 136.A N GLN 151.A OE1 no hydrogen 3.178 N/A ASP 139.A N GLN 439.A O no hydrogen 2.774 N/A ALA 141.A N ASP 139.A OD1 no hydrogen 3.139 N/A ASN 142.A N ASP 139.A OD2 no hydrogen 2.863 N/A ASN 142.A ND2 ASP 139.A OD2 no hydrogen 2.959 N/A ASN 142.A ND2 TYR 388.A O no hydrogen 3.190 N/A SER 143.A OG ASP 139.A O no hydrogen 2.693 N/A TRP 145.A N ASN 779.A O no hydrogen 2.873 N/A ARG 146.A N HIS 144.A ND1 no hydrogen 3.171 N/A ARG 146.A NH1 ASP 897.A OD2 no hydrogen 2.713 N/A ARG 146.A NH2 ASP 897.A OD1 no hydrogen 2.867 N/A ARG 146.A NH2 ASP 897.A OD2 no hydrogen 3.387 N/A VAL 148.A N HIS 144.A O no hydrogen 2.938 N/A LEU 149.A N TRP 145.A O no hydrogen 2.932 N/A LEU 150.A N ARG 146.A O no hydrogen 2.908 N/A GLN 151.A N ASN 147.A O no hydrogen 2.936 N/A GLN 151.A NE2 VAL 148.A O no hydrogen 3.063 N/A LEU 152.A N VAL 148.A O no hydrogen 3.027 N/A THR 153.A N LEU 149.A O no hydrogen 2.811 N/A THR 153.A OG1 LEU 149.A O no hydrogen 2.755 N/A GLU 154.A N LEU 150.A O no hydrogen 2.849 N/A GLY 155.A N GLN 151.A O no hydrogen 3.128 N/A GLN 156.A N LEU 152.A O no hydrogen 2.885 N/A GLN 156.A NE2 THR 132.A O no hydrogen 2.910 N/A GLN 156.A NE2 PRO 167.A O no hydrogen 3.436 N/A THR 157.A N THR 153.A O no hydrogen 2.820 N/A THR 157.A OG1 THR 153.A O no hydrogen 2.682 N/A TRP 158.A N GLU 154.A O no hydrogen 3.313 N/A TRP 158.A NE1 HIS 109.A NE2 no hydrogen 2.867 N/A LEU 159.A N GLY 155.A O no hydrogen 2.942 N/A LYS 160.A N GLN 156.A O no hydrogen 2.867 N/A LYS 160.A NZ LEU 987.A O no hydrogen 2.749 N/A GLN 161.A N THR 157.A O no hydrogen 3.122 N/A PHE 162.A N TRP 158.A O no hydrogen 2.954 N/A MET 163.A N LEU 159.A O no hydrogen 2.841 N/A VAL 165.A N LEU 159.A O no hydrogen 3.479 N/A THR 168.A OG1 GLN 350.A OE1 no hydrogen 3.135 N/A SER 170.A N ASN 193.A O no hydrogen 2.982 N/A SER 170.A OG THR 132.A OG1 no hydrogen 2.729 N/A TRP 171.A N THR 132.A OG1 no hydrogen 2.900 N/A ALA 172.A N LEU 195.A O no hydrogen 2.977 N/A HIS 178.A N PHE 374.A O no hydrogen 3.360 N/A HIS 178.A ND1 GLU 140.A OE1 no hydrogen 3.170 N/A HIS 178.A ND1 GLU 140.A OE2 no hydrogen 3.273 N/A SER 179.A N GLU 140.A OE1 no hydrogen 2.823 N/A SER 179.A OG ASN 779.A OD1 no hydrogen 2.689 N/A THR 181.A N SER 179.A OG no hydrogen 3.067 N/A THR 181.A OG1 SER 179.A OG no hydrogen 3.425 N/A THR 181.A OG1 ASN 779.A OD1 no hydrogen 2.739 N/A MET 182.A N SER 179.A O no hydrogen 3.077 N/A TYR 184.A N PRO 180.A O no hydrogen 3.144 N/A TYR 184.A OH MET 1004.A O no hydrogen 2.734 N/A TYR 184.A OH THR 1006.A OG1 no hydrogen 2.591 N/A ILE 185.A N THR 181.A O no hydrogen 3.003 N/A LEU 186.A N MET 182.A O no hydrogen 2.815 N/A GLN 187.A N PRO 183.A O no hydrogen 2.802 N/A LYS 188.A N ILE 185.A O no hydrogen 3.132 N/A LYS 188.A NZ GLU 1005.A OE1 no hydrogen 3.028 N/A SER 189.A N LEU 186.A O no hydrogen 2.848 N/A SER 189.A OG ILE 185.A O no hydrogen 2.838 N/A PHE 191.A N LEU 186.A O no hydrogen 3.042 N/A LYS 192.A N THR 168.A O no hydrogen 2.846 N/A ASN 193.A N THR 168.A O no hydrogen 3.251 N/A MET 194.A N PHE 230.A O no hydrogen 2.926 N/A LEU 195.A N SER 170.A O no hydrogen 2.815 N/A ILE 196.A N HIS 232.A O no hydrogen 2.923 N/A GLN 197.A N HIS 178.A NE2 no hydrogen 3.229 N/A GLN 197.A NE2 PHE 236.A O no hydrogen 3.044 N/A ARG 198.A N HIS 178.A NE2 no hydrogen 3.253 N/A ARG 198.A NE ASP 174.A O no hydrogen 3.192 N/A ARG 198.A NE ASP 174.A OD1 no hydrogen 2.686 N/A ARG 198.A NH1 TYR 377.A OH no hydrogen 2.956 N/A ARG 198.A NH2 ASP 174.A OD1 no hydrogen 2.750 N/A THR 199.A N GLN 197.A O no hydrogen 2.947 N/A HIS 200.A NE2 TYR 384.A OH no hydrogen 2.888 N/A TYR 201.A N ALA 378.A O no hydrogen 3.308 N/A TYR 201.A OH SER 381.A O no hydrogen 2.594 N/A SER 202.A N HIS 200.A ND1 no hydrogen 2.852 N/A LYS 204.A N HIS 200.A O no hydrogen 3.086 N/A LYS 204.A NZ GLN 197.A O no hydrogen 2.685 N/A LYS 204.A NZ GLN 197.A OE1 no hydrogen 3.285 N/A LYS 204.A NZ MET 234.A O no hydrogen 2.754 N/A LYS 204.A NZ PHE 236.A O no hydrogen 2.873 N/A LYS 205.A N TYR 201.A O no hydrogen 3.082 N/A GLU 206.A N SER 202.A O no hydrogen 2.981 N/A LEU 207.A N VAL 203.A O no hydrogen 2.863 N/A ALA 208.A N LYS 204.A O no hydrogen 2.836 N/A GLN 209.A N LYS 205.A O no hydrogen 2.983 N/A GLN 210.A N LEU 207.A O no hydrogen 3.174 N/A ARG 211.A N ALA 208.A O no hydrogen 2.992 N/A GLN 212.A N LEU 207.A O no hydrogen 2.763 N/A PHE 215.A N THR 231.A O no hydrogen 2.949 N/A LEU 216.A N PRO 368.A O no hydrogen 2.865 N/A TRP 217.A N LEU 229.A O no hydrogen 2.993 N/A TRP 217.A NE1 GLY 372.A O no hydrogen 2.973 N/A ARG 218.A N LEU 370.A O no hydrogen 2.939 N/A ARG 218.A NH1 ASP 222.A O no hydrogen 2.994 N/A ARG 218.A NH1 ASN 223.A O no hydrogen 3.029 N/A GLN 219.A N THR 227.A OG1 no hydrogen 3.066 N/A GLN 219.A NE2 PRO 180.A O no hydrogen 2.852 N/A ASP 222.A N GLN 219.A O no hydrogen 3.001 N/A LYS 224.A N GLN 2.A OE1 no hydrogen 2.889 N/A LYS 224.A NZ ASP 226.A OD1.A no hydrogen 3.320 N/A LYS 224.A NZ ASP 226.A OD2.A no hydrogen 3.106 N/A GLY 225.A N ASP 222.A OD1 no hydrogen 2.868 N/A THR 227.A N ASP 222.A OD2 no hydrogen 2.913 N/A THR 227.A OG1 ASP 222.A OD2 no hydrogen 2.566 N/A ALA 228.A N GLY 225.A O no hydrogen 3.052 N/A LEU 229.A N TRP 217.A O no hydrogen 2.985 N/A THR 231.A N PHE 215.A O no hydrogen 2.783 N/A THR 231.A OG1 LEU 229.A O no hydrogen 3.137 N/A HIS 232.A N MET 194.A O no hydrogen 2.811 N/A HIS 232.A ND1 GLU 214.A OE2 no hydrogen 2.779 N/A MET 233.A N LEU 213.A O no hydrogen 2.729 N/A MET 234.A N ILE 196.A O no hydrogen 2.969 N/A TYR 239.A OH ASP 311.A OD1 no hydrogen 2.579 N/A ASP 240.A N SER 238.A OG no hydrogen 3.037 N/A HIS 243.A N ASP 240.A O no hydrogen 3.110 N/A HIS 243.A N ASP 240.A OD1 no hydrogen 3.119 N/A HIS 243.A ND1 ASP 240.A OD1 no hydrogen 2.854 N/A THR 244.A N ILE 241.A O no hydrogen 3.161 N/A THR 244.A OG1 ASP 240.A O no hydrogen 2.713 N/A THR 244.A OG1 ILE 241.A O no hydrogen 3.195 N/A THR 244.A OG1 PRO 307.A O no hydrogen 3.184 N/A ASP 248.A N GLN 291.A OE1 no hydrogen 2.996 N/A LYS 250.A N ASP 248.A OD1 no hydrogen 2.996 N/A VAL 251.A N ASP 248.A O no hydrogen 3.015 N/A CYS 252.A N ASP 248.A O no hydrogen 3.016 N/A CYS 252.A SG GLY 246.A O no hydrogen 3.545 N/A CYS 252.A SG ASP 248.A O no hydrogen 3.616 N/A CYS 252.A SG GLN 291.A OE1 no hydrogen 4.037 N/A CYS 253.A N PRO 249.A O no hydrogen 2.919 N/A GLN 254.A N VAL 251.A O no hydrogen 2.981 N/A GLN 254.A NE2 LYS 250.A O no hydrogen 3.055 N/A PHE 255.A N CYS 252.A O no hydrogen 2.858 N/A ASP 256.A N CYS 253.A O no hydrogen 3.118 N/A PHE 257.A N GLN 323.A OE1 no hydrogen 2.943 N/A ARG 259.A N ASP 256.A O no hydrogen 3.005 N/A ARG 259.A NE ASP 256.A OD2 no hydrogen 2.861 N/A ARG 259.A NH1 SER 266.A O no hydrogen 2.999 N/A GLY 264.A N GLY 261.A O no hydrogen 3.003 N/A CYS 267.A SG CYS 253.A O no hydrogen 3.270 N/A LYS 270.A N CYS 267.A O no hydrogen 2.876 N/A ILE 276.A N ASN 326.A OD1 no hydrogen 2.784 N/A SER 277.A N ASN 280.A OD1 no hydrogen 2.905 N/A ASN 280.A N SER 277.A O no hydrogen 3.224 N/A ASN 280.A N SER 277.A OG no hydrogen 3.118 N/A ASN 280.A ND2 THR 275.A O no hydrogen 3.045 N/A VAL 281.A N SER 277.A O no hydrogen 2.903 N/A ARG 284.A N ASN 280.A O no hydrogen 2.899 N/A ARG 284.A NH1 GLN 254.A OE1 no hydrogen 3.001 N/A ARG 284.A NH2 GLN 254.A OE1 no hydrogen 3.031 N/A SER 285.A N VAL 281.A O no hydrogen 2.887 N/A SER 285.A OG VAL 281.A O no hydrogen 2.733 N/A ASP 286.A N.A ALA 282.A O no hydrogen 3.029 N/A ASP 286.A N.B ALA 282.A O no hydrogen 2.968 N/A LEU 287.A N ALA 283.A O no hydrogen 3.146 N/A LEU 288.A N ARG 284.A O no hydrogen 2.983 N/A VAL 289.A N SER 285.A O no hydrogen 2.741 N/A ASP 290.A N ASP 286.A O.A no hydrogen 3.424 N/A ASP 290.A N ASP 286.A O.B no hydrogen 3.113 N/A GLN 291.A N LEU 287.A O no hydrogen 3.244 N/A TRP 292.A N LEU 288.A O no hydrogen 2.949 N/A LYS 293.A N VAL 289.A O no hydrogen 2.862 N/A LYS 293.A NZ PHE 340.A O no hydrogen 2.752 N/A LYS 294.A N ASP 290.A O no hydrogen 3.077 N/A LYS 294.A NZ ASP 290.A OD2 no hydrogen 2.812 N/A LYS 295.A N GLN 291.A O no hydrogen 2.922 N/A LYS 295.A NZ THR 244.A O no hydrogen 2.808 N/A LYS 295.A NZ LEU 305.A O no hydrogen 2.850 N/A ALA 296.A N TRP 292.A O no hydrogen 2.816 N/A GLU 297.A N LYS 294.A O no hydrogen 3.161 N/A LEU 298.A N LYS 295.A O no hydrogen 3.035 N/A TYR 299.A N ALA 296.A O no hydrogen 3.200 N/A TYR 299.A OH MET 233.A O no hydrogen 2.772 N/A ARG 300.A NE ARG 211.A O no hydrogen 2.780 N/A ARG 300.A NH1 GLU 366.A O no hydrogen 3.037 N/A ARG 300.A NH2 GLN 210.A O no hydrogen 3.175 N/A ARG 300.A NH2 ARG 211.A O no hydrogen 3.197 N/A THR 301.A OG1 VAL 303.A O no hydrogen 3.462 N/A ASN 302.A N GLN 364.A OE1 no hydrogen 2.671 N/A ASN 302.A ND2 LYS 50.A O no hydrogen 2.660 N/A VAL 303.A N THR 301.A OG1 no hydrogen 3.093 N/A LEU 304.A N LYS 52.A O no hydrogen 2.798 N/A ILE 306.A N PHE 54.A O no hydrogen 2.846 N/A LEU 308.A N VAL 56.A O no hydrogen 2.828 N/A ASP 311.A N ASP 310.A OD1 no hydrogen 2.793 N/A PHE 312.A N HIS 60.A O no hydrogen 2.754 N/A ARG 313.A N ASP 310.A O no hydrogen 3.403 N/A ARG 313.A NH1 ASP 256.A OD1 no hydrogen 2.934 N/A ARG 313.A NH1 ASP 256.A OD2 no hydrogen 3.455 N/A ARG 313.A NH2 ASP 256.A OD2 no hydrogen 2.784 N/A PHE 314.A N GLU 319.A OE2 no hydrogen 2.734 N/A LYS 315.A N GLU 319.A OE1 no hydrogen 3.079 N/A LYS 315.A NZ HIS 75.A O.A no hydrogen 3.030 N/A LYS 315.A NZ HIS 75.A O.B no hydrogen 3.163 N/A LYS 315.A NZ ASP 76.A OD1 no hydrogen 3.115 N/A GLN 316.A N.A GLN 316.A OE1.A no hydrogen 2.992 N/A ASN 317.A ND2 HIS 87.A NE2 no hydrogen 2.786 N/A GLU 319.A N GLN 316.A O.A no hydrogen 3.001 N/A GLU 319.A N GLN 316.A O.B no hydrogen 2.891 N/A TRP 320.A N GLN 316.A O.A no hydrogen 3.034 N/A TRP 320.A N GLN 316.A O.B no hydrogen 3.116 N/A TRP 320.A NE1 PHE 314.A O no hydrogen 2.841 N/A ASP 321.A N ASN 317.A O no hydrogen 3.026 N/A VAL 322.A N THR 318.A O no hydrogen 2.938 N/A GLN 323.A N GLU 319.A O no hydrogen 3.107 N/A GLN 323.A NE2 ASP 256.A OD1 no hydrogen 2.992 N/A ARG 324.A N TRP 320.A O no hydrogen 2.930 N/A ARG 324.A NH1 GLU 328.A OE2 no hydrogen 2.941 N/A ARG 324.A NH2 ASP 321.A OD1 no hydrogen 3.554 N/A VAL 325.A N ASP 321.A O no hydrogen 2.878 N/A ASN 326.A ND2 VAL 322.A O no hydrogen 2.731 N/A TYR 327.A N GLN 323.A O no hydrogen 3.132 N/A TYR 327.A OH PHE 255.A O no hydrogen 2.647 N/A GLU 328.A N ARG 324.A O no hydrogen 2.881 N/A ARG 329.A N VAL 325.A O no hydrogen 3.080 N/A ARG 329.A NH1 ASN 326.A OD1 no hydrogen 3.096 N/A LEU 330.A N ASN 326.A O no hydrogen 3.081 N/A PHE 331.A N TYR 327.A O no hydrogen 2.819 N/A GLU 332.A N GLU 328.A O no hydrogen 2.933 N/A HIS 333.A N ARG 329.A O no hydrogen 3.106 N/A ILE 334.A N LEU 330.A O no hydrogen 2.838 N/A ASN 335.A N PHE 331.A O no hydrogen 2.777 N/A ASN 335.A ND2 ALA 344.A O no hydrogen 2.826 N/A SER 336.A N HIS 333.A O no hydrogen 3.064 N/A SER 336.A OG GLU 332.A O no hydrogen 3.152 N/A SER 336.A OG HIS 333.A O no hydrogen 3.095 N/A GLN 337.A N ILE 334.A O no hydrogen 3.344 N/A PHE 340.A N GLN 337.A O no hydrogen 3.110 N/A ASN 341.A N ALA 338.A O no hydrogen 2.790 N/A GLN 343.A N LEU 51.A O no hydrogen 2.924 N/A GLN 343.A NE2 GLN 345.A OE1 no hydrogen 3.559 N/A ALA 344.A N ASN 335.A OD1 no hydrogen 2.808 N/A GLN 345.A N VAL 53.A O no hydrogen 3.063 N/A GLN 345.A NE2 VAL 53.A O no hydrogen 2.874 N/A GLN 345.A NE2 GLN 343.A O no hydrogen 3.143 N/A GLY 347.A N VAL 55.A O no hydrogen 2.849 N/A THR 348.A N GLU 351.A OE2 no hydrogen 2.767 N/A THR 348.A OG1 GLU 129.A OE1 no hydrogen 2.573 N/A GLN 350.A N GLU 129.A OE2 no hydrogen 2.892 N/A GLN 350.A NE2 ASP 354.A OD1 no hydrogen 2.788 N/A GLU 351.A N THR 348.A OG1 no hydrogen 3.290 N/A TYR 352.A N THR 348.A O no hydrogen 3.131 N/A TYR 352.A OH GLU 214.A OE2 no hydrogen 2.526 N/A PHE 353.A N LEU 349.A O no hydrogen 2.983 N/A ASP 354.A N GLN 350.A O no hydrogen 2.804 N/A ALA 355.A N GLU 351.A O no hydrogen 3.173 N/A VAL 356.A N TYR 352.A O no hydrogen 2.969 N/A HIS 357.A N PHE 353.A O no hydrogen 2.999 N/A HIS 357.A ND1 GLU 360.A OE1 no hydrogen 2.667 N/A HIS 357.A NE2 ASN 193.A OD1 no hydrogen 2.725 N/A GLN 358.A N ASP 354.A O no hydrogen 2.905 N/A ALA 359.A N ALA 355.A O no hydrogen 2.928 N/A GLU 360.A N VAL 356.A O no hydrogen 2.905 N/A ARG 361.A N HIS 357.A O no hydrogen 2.932 N/A ALA 362.A N GLN 358.A O no hydrogen 2.976 N/A GLY 363.A N GLU 360.A O no hydrogen 2.907 N/A GLN 364.A N ALA 359.A O no hydrogen 3.030 N/A THR 369.A N ASP 12.A OD2 no hydrogen 2.878 N/A THR 369.A OG1 ASP 12.A OD2 no hydrogen 3.229 N/A LEU 370.A N LEU 216.A O no hydrogen 3.023 N/A SER 371.A N VAL 13.A O no hydrogen 2.992 N/A PHE 374.A N HIS 178.A O no hydrogen 2.977 N/A THR 376.A OG1 TYR 389.A OH no hydrogen 2.613 N/A THR 376.A OG1 TYR 798.A O no hydrogen 2.537 N/A ASN 383.A N ARG 380.A O no hydrogen 2.886 N/A ASN 383.A ND2 ASP 382.A OD1 no hydrogen 3.060 N/A ASN 383.A ND2 ASP 692.A OD2 no hydrogen 3.028 N/A TYR 384.A N ASP 382.A O no hydrogen 3.020 N/A TYR 384.A OH HIS 200.A NE2 no hydrogen 2.888 N/A TRP 385.A N TYR 377.A O no hydrogen 2.881 N/A TRP 385.A NE1 ASP 379.A OD1 no hydrogen 3.011 N/A SER 386.A OG GLN 795.A O no hydrogen 2.781 N/A GLY 387.A N TYR 697.A O no hydrogen 2.886 N/A TYR 388.A N TYR 697.A O no hydrogen 3.320 N/A TYR 388.A OH PHE 176.A O no hydrogen 2.708 N/A TYR 389.A N SER 386.A O no hydrogen 3.322 N/A TYR 389.A OH THR 376.A OG1 no hydrogen 2.613 N/A THR 390.A N GLY 387.A O no hydrogen 3.022 N/A SER 391.A N GLY 387.A O no hydrogen 3.206 N/A SER 391.A OG GLY 387.A O no hydrogen 3.198 N/A SER 391.A OG ALA 696.A O no hydrogen 2.713 N/A ARG 392.A NE ASP 854.A OD1 no hydrogen 2.848 N/A ARG 392.A NE ASP 854.A OD2 no hydrogen 3.339 N/A ARG 392.A NH1 GLY 446.A O no hydrogen 2.858 N/A ARG 392.A NH1 ALA 448.A O no hydrogen 2.831 N/A ARG 392.A NH2 ALA 448.A O no hydrogen 3.034 N/A ARG 392.A NH2 ASP 854.A OD2 no hydrogen 2.856 N/A HIS 395.A N ARG 392.A O no hydrogen 3.173 N/A HIS 395.A NE2 GLU 457.A OE1 no hydrogen 2.905 N/A LYS 396.A N ARG 392.A O no hydrogen 3.263 N/A LYS 396.A NZ TYR 388.A O no hydrogen 2.815 N/A LYS 396.A NZ SER 391.A O no hydrogen 2.688 N/A LYS 396.A NZ ILE 444.A O no hydrogen 2.870 N/A ARG 397.A N PRO 393.A O no hydrogen 2.991 N/A ARG 397.A NH1 GLY 819.A O no hydrogen 2.898 N/A MET 398.A N TYR 394.A O no hydrogen 2.960 N/A ASP 399.A N HIS 395.A O no hydrogen 2.890 N/A ARG 400.A NH1 ASN 142.A O no hydrogen 3.088 N/A ARG 400.A NH1 ASP 399.A OD2 no hydrogen 2.711 N/A ARG 400.A NH2 ASN 142.A O no hydrogen 2.871 N/A ARG 400.A NH2 PRO 802.A O no hydrogen 2.893 N/A VAL 401.A N ARG 397.A O no hydrogen 3.157 N/A LEU 402.A N MET 398.A O no hydrogen 2.860 N/A MET 403.A N ASP 399.A O no hydrogen 2.893 N/A HIS 404.A N ARG 400.A O no hydrogen 3.320 N/A HIS 404.A ND1 ASP 897.A OD1 no hydrogen 2.793 N/A HIS 404.A NE2 ASP 900.A OD1 no hydrogen 2.539 N/A TYR 405.A N VAL 401.A O no hydrogen 2.992 N/A TYR 405.A OH ASP 498.A OD2 no hydrogen 2.713 N/A VAL 406.A N LEU 402.A O no hydrogen 2.843 N/A ARG 407.A N MET 403.A O no hydrogen 3.231 N/A ARG 407.A NE THR 530.A OG1 no hydrogen 2.908 N/A ARG 407.A NH1 ASP 928.A OD1 no hydrogen 3.553 N/A ARG 407.A NH1 ASP 928.A OD2 no hydrogen 2.799 N/A ARG 407.A NH2 THR 530.A O no hydrogen 2.972 N/A ARG 407.A NH2 ASP 928.A OD1 no hydrogen 2.828 N/A ALA 408.A N HIS 404.A O no hydrogen 2.883 N/A ALA 409.A N TYR 405.A O no hydrogen 2.931 N/A GLU 410.A N VAL 406.A O no hydrogen 2.989 N/A MET 411.A N ARG 407.A O no hydrogen 2.887 N/A LEU 412.A N ALA 408.A O no hydrogen 2.822 N/A SER 413.A N ALA 409.A O no hydrogen 3.160 N/A SER 413.A OG ALA 409.A O no hydrogen 2.777 N/A ALA 414.A N GLU 410.A O no hydrogen 3.147 N/A ALA 414.A N MET 411.A O no hydrogen 3.061 N/A TRP 418.A NE1 SER 413.A O no hydrogen 2.947 N/A MET 421.A N ASP 419.A OD2 no hydrogen 2.840 N/A ALA 422.A N ASP 419.A O no hydrogen 2.830 N/A ARG 423.A N GLY 420.A O no hydrogen 3.124 N/A ARG 423.A NE GLU 426.A OE1 no hydrogen 2.807 N/A ARG 423.A NH2 GLU 426.A OE2 no hydrogen 2.988 N/A GLU 425.A N GLU 425.A OE1 no hydrogen 2.754 N/A ARG 427.A N ARG 423.A O no hydrogen 3.107 N/A LEU 428.A N ILE 424.A O no hydrogen 2.963 N/A GLU 429.A N GLU 425.A O no hydrogen 2.872 N/A GLN 430.A N GLU 426.A O no hydrogen 3.160 N/A ALA 431.A N ARG 427.A O no hydrogen 3.019 N/A ARG 432.A N LEU 428.A O no hydrogen 2.912 N/A ARG 432.A NE GLU 154.A OE1 no hydrogen 2.914 N/A ARG 432.A NH1 GLU 410.A OE2 no hydrogen 2.853 N/A ARG 433.A N GLU 429.A O no hydrogen 2.971 N/A ARG 433.A NE GLU 154.A OE2 no hydrogen 2.779 N/A GLU 434.A N GLN 430.A O no hydrogen 2.942 N/A LEU 435.A N ALA 431.A O no hydrogen 3.055 N/A SER 436.A N ARG 432.A O no hydrogen 2.875 N/A SER 436.A OG ARG 432.A O no hydrogen 2.672 N/A LEU 437.A N ARG 433.A O no hydrogen 2.852 N/A PHE 438.A N GLU 434.A O no hydrogen 3.241 N/A GLN 439.A N SER 436.A O no hydrogen 3.086 N/A GLN 439.A NE2 ASP 399.A OD1 no hydrogen 2.846 N/A GLN 439.A NE2 LEU 435.A O no hydrogen 2.934 N/A HIS 440.A N LEU 437.A O no hydrogen 3.090 N/A HIS 440.A NE2 GLY 64.A O no hydrogen 2.806 N/A HIS 441.A ND1 MET 137.A O no hydrogen 2.715 N/A HIS 441.A NE2 ASP 62.A OD1 no hydrogen 3.087 N/A GLY 443.A N HIS 440.A O no hydrogen 2.875 N/A ILE 444.A N PHE 438.A O no hydrogen 2.898 N/A THR 445.A OG1 HIS 441.A O no hydrogen 3.039 N/A THR 445.A OG1 THR 447.A OG1 no hydrogen 2.857 N/A GLY 446.A N GLY 443.A O no hydrogen 2.919 N/A THR 447.A OG1 ASP 442.A OD1 no hydrogen 3.014 N/A THR 447.A OG1 THR 445.A OG1 no hydrogen 2.857 N/A LYS 449.A N TRP 65.A O no hydrogen 2.922 N/A LYS 449.A NZ LEU 848.A O no hydrogen 2.722 N/A THR 450.A N GLN 850.A OE1 no hydrogen 3.097 N/A THR 450.A OG1 GLN 850.A OE1 no hydrogen 3.523 N/A THR 450.A OG1 ASP 854.A OD2 no hydrogen 3.333 N/A HIS 451.A NE2 GLU 71.A OE1 no hydrogen 2.997 N/A VAL 452.A N LYS 449.A O no hydrogen 2.967 N/A VAL 453.A N LYS 449.A O no hydrogen 2.916 N/A VAL 454.A N THR 450.A O no hydrogen 3.069 N/A ASP 455.A N HIS 451.A O no hydrogen 3.085 N/A TYR 456.A N VAL 452.A O no hydrogen 2.926 N/A TYR 456.A OH PRO 63.A O no hydrogen 2.680 N/A GLU 457.A N VAL 453.A O no hydrogen 2.933 N/A GLN 458.A N VAL 454.A O no hydrogen 2.839 N/A ARG 459.A N ASP 455.A O no hydrogen 2.965 N/A ARG 459.A NE ASP 455.A OD2 no hydrogen 2.954 N/A ARG 459.A NH1 GLU 434.A OE1 no hydrogen 2.918 N/A MET 460.A N TYR 456.A O no hydrogen 2.841 N/A GLN 461.A N GLU 457.A O no hydrogen 2.798 N/A GLN 461.A NE2 GLN 461.A O no hydrogen 3.326 N/A GLU 462.A N GLN 458.A O no hydrogen 2.996 N/A ALA 463.A N ARG 459.A O no hydrogen 2.972 N/A LEU 464.A N MET 460.A O no hydrogen 2.856 N/A LYS 465.A N GLN 461.A O no hydrogen 3.080 N/A LYS 465.A NZ GLU 462.A OE1 no hydrogen 3.507 N/A LYS 465.A NZ GLU 462.A OE2 no hydrogen 2.800 N/A ALA 466.A N GLU 462.A O no hydrogen 2.928 N/A CYS 467.A N ALA 463.A O no hydrogen 2.864 N/A CYS 467.A SG ALA 463.A O no hydrogen 3.375 N/A GLN 468.A N LEU 464.A O no hydrogen 2.911 N/A MET 469.A N LYS 465.A O no hydrogen 2.974 N/A VAL 470.A N ALA 466.A O no hydrogen 3.156 N/A MET 471.A N CYS 467.A O no hydrogen 2.820 N/A GLN 472.A N GLN 468.A O no hydrogen 2.846 N/A GLN 472.A NE2 PHE 491.A O no hydrogen 2.936 N/A GLN 473.A N MET 469.A O no hydrogen 3.061 N/A GLN 473.A NE2 ASP 488.A O no hydrogen 3.071 N/A SER 474.A N VAL 470.A O no hydrogen 2.979 N/A SER 474.A OG VAL 470.A O no hydrogen 2.826 N/A VAL 475.A N MET 471.A O no hydrogen 2.912 N/A TYR 476.A N GLN 472.A O no hydrogen 3.055 N/A ARG 477.A N GLN 473.A O no hydrogen 3.102 N/A ARG 477.A NH1 SER 417.A O no hydrogen 2.897 N/A ARG 477.A NH2 SER 417.A O no hydrogen 3.386 N/A LEU 478.A N SER 474.A O no hydrogen 2.828 N/A LEU 479.A N VAL 475.A O no hydrogen 2.981 N/A THR 480.A OG1 TYR 476.A O no hydrogen 2.693 N/A LYS 481.A N GLY 911.A O no hydrogen 2.909 N/A ILE 484.A N LYS 481.A O no hydrogen 2.989 N/A TYR 485.A N LYS 481.A O no hydrogen 3.015 N/A ASP 488.A N TYR 493.A OH no hydrogen 2.812 N/A SER 490.A N ASP 488.A OD1 no hydrogen 2.950 N/A SER 490.A OG ASP 488.A OD1 no hydrogen 2.744 N/A PHE 491.A N ASP 488.A O no hydrogen 3.020 N/A TYR 493.A N GLN 472.A OE1 no hydrogen 2.812 N/A PHE 494.A N GLN 472.A OE1 no hydrogen 3.254 N/A THR 495.A N ILE 903.A O no hydrogen 3.039 N/A LEU 496.A N GLN 468.A OE1 no hydrogen 2.855 N/A ASP 497.A N LYS 901.A O no hydrogen 2.881 N/A SER 499.A OG ASP 540.A OD1 no hydrogen 2.801 N/A SER 499.A OG ASP 540.A OD2 no hydrogen 3.531 N/A ARG 500.A N ASP 498.A OD1 no hydrogen 2.947 N/A ARG 500.A NH1 GLU 745.A OE2 no hydrogen 3.351 N/A ARG 500.A NH2 SER 894.A O no hydrogen 2.917 N/A VAL 506.A N GLY 503.A O no hydrogen 2.919 N/A GLU 507.A N GLY 503.A O no hydrogen 3.186 N/A ARG 510.A NE ASP 497.A OD1 no hydrogen 3.041 N/A ARG 510.A NE ASP 497.A OD2 no hydrogen 3.370 N/A ARG 510.A NH1 ASP 540.A OD2 no hydrogen 3.273 N/A ARG 510.A NH2 ASP 497.A OD2 no hydrogen 2.812 N/A ARG 510.A NH2 ASP 540.A OD2 no hydrogen 3.145 N/A ILE 513.A N TYR 542.A O no hydrogen 2.807 N/A LEU 515.A N SER 544.A OG no hydrogen 3.015 N/A GLY 516.A N LEU 520.A O no hydrogen 2.867 N/A ILE 519.A N GLY 516.A O no hydrogen 2.928 N/A LEU 520.A N GLY 516.A O no hydrogen 2.862 N/A LYS 523.A N LEU 604.A O no hydrogen 2.904 N/A LYS 523.A NZ PHE 904.A O no hydrogen 2.844 N/A VAL 525.A N TYR 602.A O no hydrogen 2.957 N/A VAL 526.A N PHE 902.A O no hydrogen 2.913 N/A MET 527.A N ALA 600.A O no hydrogen 2.825 N/A HIS 528.A N ASP 900.A O no hydrogen 2.885 N/A HIS 528.A ND1 ASP 900.A OD2 no hydrogen 2.864 N/A ASN 529.A N GLY 598.A O no hydrogen 2.928 N/A ASN 529.A ND2 HIS 533.A O no hydrogen 2.783 N/A ASN 529.A ND2 VAL 594.A O no hydrogen 3.456 N/A ASN 529.A ND2 PRO 595.A O no hydrogen 3.077 N/A LEU 531.A N ASN 529.A OD1 no hydrogen 3.145 N/A TRP 534.A N SER 922.A OG no hydrogen 2.930 N/A ARG 535.A N VAL 594.A O no hydrogen 3.110 N/A ARG 535.A NE ASN 529.A OD1 no hydrogen 2.992 N/A ARG 535.A NH1 ASP 897.A O no hydrogen 2.879 N/A ARG 535.A NH2 ASN 529.A OD1 no hydrogen 2.940 N/A ARG 535.A NH2 ASP 897.A O no hydrogen 2.755 N/A GLN 537.A N ALA 592.A O no hydrogen 3.041 N/A GLN 537.A NE2 LEU 538.A O no hydrogen 2.881 N/A VAL 539.A N PHE 590.A O no hydrogen 2.857 N/A PHE 541.A N ILE 588.A O no hydrogen 2.924 N/A VAL 543.A N TYR 586.A O no hydrogen 2.825 N/A SER 544.A N ILE 513.A O no hydrogen 3.022 N/A SER 544.A OG LEU 515.A O no hydrogen 3.152 N/A PHE 547.A N SER 545.A OG no hydrogen 2.949 N/A SER 549.A N THR 605.A O no hydrogen 2.880 N/A THR 551.A N VAL 603.A O no hydrogen 3.022 N/A THR 551.A OG1 VAL 603.A O no hydrogen 3.566 N/A ASP 552.A N ASN 556.A O no hydrogen 2.999 N/A ALA 554.A N ASP 552.A OD1 no hydrogen 2.940 N/A ASN 555.A N ASP 552.A O no hydrogen 2.964 N/A ASN 556.A N ASP 552.A OD1 no hydrogen 2.898 N/A ASN 556.A ND2 ASP 552.A OD2 no hydrogen 2.668 N/A VAL 558.A N VAL 550.A O no hydrogen 2.838 N/A ALA 560.A N HIS 613.A O no hydrogen 2.783 N/A GLN 561.A N ILE 589.A O no hydrogen 2.866 N/A GLN 561.A NE2 SER 563.A OG no hydrogen 3.109 N/A GLN 561.A NE2 GLU 723.A O no hydrogen 2.953 N/A VAL 562.A N SER 615.A O no hydrogen 2.845 N/A SER 563.A N ARG 587.A O no hydrogen 2.970 N/A TRP 566.A NE1 ASN 619.A OD1 no hydrogen 3.059 N/A SER 567.A N GLN 580.A O no hydrogen 2.972 N/A HIS 569.A N HIS 578.A O no hydrogen 3.016 N/A ASP 571.A N THR 576.A O no hydrogen 2.824 N/A LEU 573.A N ASP 571.A OD1 no hydrogen 3.015 N/A THR 574.A N ASP 571.A OD1 no hydrogen 3.449 N/A THR 574.A OG1 THR 576.A OG1 no hydrogen 2.699 N/A THR 576.A OG1 THR 574.A OG1 no hydrogen 2.699 N/A HIS 578.A N HIS 569.A O no hydrogen 3.218 N/A HIS 578.A NE2 ASP 571.A OD2 no hydrogen 3.133 N/A GLN 580.A N SER 567.A O no hydrogen 2.705 N/A SER 582.A N VAL 565.A O no hydrogen 2.897 N/A SER 582.A OG LYS 585.A O no hydrogen 3.392 N/A THR 584.A N SER 582.A OG no hydrogen 2.865 N/A THR 584.A OG1 SER 582.A OG no hydrogen 3.425 N/A LYS 585.A N SER 582.A OG no hydrogen 2.856 N/A TYR 586.A N VAL 543.A O no hydrogen 2.840 N/A TYR 586.A OH LEU 631.A O no hydrogen 3.370 N/A ARG 587.A N SER 563.A O no hydrogen 2.860 N/A ARG 587.A NE ASP 540.A OD2 no hydrogen 3.289 N/A ARG 587.A NH1 GLU 723.A OE1 no hydrogen 3.084 N/A ARG 587.A NH2 GLU 723.A OE1 no hydrogen 2.979 N/A ARG 587.A NH2 GLU 723.A OE2 no hydrogen 3.474 N/A ILE 588.A N PHE 541.A O no hydrogen 2.867 N/A ILE 589.A N GLN 561.A O no hydrogen 2.760 N/A PHE 590.A N VAL 539.A O no hydrogen 3.034 N/A ALA 592.A N GLN 537.A O no hydrogen 2.947 N/A ARG 593.A N TYR 602.A OH no hydrogen 2.881 N/A VAL 594.A N ARG 535.A O no hydrogen 2.837 N/A MET 597.A N LEU 531.A O no hydrogen 2.946 N/A LEU 599.A N PHE 916.A O no hydrogen 2.919 N/A ALA 600.A N MET 527.A O no hydrogen 2.990 N/A THR 601.A N GLY 914.A O no hydrogen 2.931 N/A THR 601.A OG1 GLN 913.A O no hydrogen 2.912 N/A THR 601.A OG1 GLY 914.A O no hydrogen 3.501 N/A TYR 602.A N VAL 525.A O no hydrogen 2.907 N/A VAL 603.A N THR 551.A O no hydrogen 2.957 N/A LEU 604.A N LYS 523.A O no hydrogen 2.847 N/A THR 605.A N SER 549.A O no hydrogen 2.926 N/A ILE 606.A N PRO 521.A O no hydrogen 3.069 N/A SER 607.A N PHE 547.A O no hydrogen 2.905 N/A SER 607.A OG SER 609.A O no hydrogen 2.885 N/A HIS 613.A ND1 GLU 559.A OE2.B no hydrogen 2.749 N/A THR 614.A N PRO 611.A O no hydrogen 3.479 N/A THR 614.A OG1 VAL 548.A O no hydrogen 2.725 N/A SER 615.A N ALA 560.A O no hydrogen 2.976 N/A SER 615.A OG ALA 560.A O no hydrogen 3.473 N/A TYR 616.A OH PRO 546.A O no hydrogen 2.618 N/A ALA 617.A N VAL 562.A O no hydrogen 3.011 N/A SER 618.A N LYS 719.A O no hydrogen 2.917 N/A LEU 620.A N VAL 717.A O no hydrogen 2.797 N/A LEU 621.A N LYS 639.A O no hydrogen 2.801 N/A LEU 622.A N VAL 715.A O no hydrogen 2.729 N/A ARG 623.A N GLY 641.A O no hydrogen 2.949 N/A GLN 633.A N TYR 586.A OH no hydrogen 3.061 N/A TYR 634.A N LEU 631.A O no hydrogen 3.098 N/A TYR 634.A OH VAL 562.A O no hydrogen 3.244 N/A TYR 634.A OH ALA 617.A O no hydrogen 2.576 N/A LYS 639.A N ASN 619.A O no hydrogen 2.949 N/A LYS 639.A NZ ASP 637.A O no hydrogen 2.880 N/A GLY 641.A N LEU 621.A O no hydrogen 3.094 N/A ILE 646.A N PHE 658.A O no hydrogen 3.274 N/A LEU 648.A N LEU 656.A O no hydrogen 2.900 N/A ARG 649.A NE GLY 653.A O no hydrogen 3.134 N/A GLY 653.A N VAL 650.A O no hydrogen 3.164 N/A THR 655.A N GLN 668.A O no hydrogen 2.812 N/A LEU 656.A N LEU 648.A O no hydrogen 2.887 N/A ALA 657.A N SER 666.A O no hydrogen 3.046 N/A PHE 658.A N ILE 646.A O no hydrogen 2.764 N/A SER 659.A N LEU 663.A O no hydrogen 2.854 N/A GLN 661.A N SER 659.A OG no hydrogen 3.039 N/A GLY 662.A N SER 659.A O no hydrogen 3.000 N/A LYS 665.A N ALA 657.A O no hydrogen 2.856 N/A LYS 665.A NZ.B GLU 645.A OE1 no hydrogen 3.330 N/A LYS 665.A NZ.B GLU 645.A OE2 no hydrogen 2.938 N/A SER 666.A N ALA 657.A O no hydrogen 3.479 N/A ILE 667.A N VAL 676.A O no hydrogen 2.971 N/A GLN 668.A N THR 655.A O no hydrogen 2.804 N/A THR 670.A N SER 673.A OG no hydrogen 2.829 N/A THR 670.A OG1 ASP 672.A OD1 no hydrogen 2.776 N/A THR 670.A OG1 SER 673.A OG no hydrogen 3.173 N/A SER 673.A N THR 670.A O no hydrogen 3.172 N/A SER 673.A OG THR 670.A O no hydrogen 3.090 N/A SER 673.A OG THR 670.A OG1 no hydrogen 3.173 N/A VAL 676.A N ILE 667.A O no hydrogen 2.918 N/A VAL 678.A N LYS 665.A O no hydrogen 2.911 N/A HIS 679.A N.A GLU 765.A O no hydrogen 2.953 N/A HIS 679.A N.B GLU 765.A O no hydrogen 2.959 N/A HIS 679.A ND1.B LEU 664.A O no hydrogen 2.807 N/A PHE 680.A N LEU 664.A O no hydrogen 3.148 N/A LYS 681.A N ARG 763.A O no hydrogen 2.831 N/A LYS 681.A NZ GLU 765.A OE1 no hydrogen 3.091 N/A LYS 681.A NZ GLU 765.A OE2 no hydrogen 2.800 N/A LEU 683.A N VAL 761.A O no hydrogen 2.936 N/A LYS 684.A N SER 706.A O no hydrogen 2.758 N/A TYR 685.A N GLU 759.A O no hydrogen 2.956 N/A TYR 685.A OH GLU 833.A OE2 no hydrogen 2.637 N/A ARG 688.A NE PRO 701.A O no hydrogen 3.006 N/A ARG 688.A NH1 ASP 382.A OD2 no hydrogen 2.869 N/A ARG 688.A NH2 PRO 701.A O no hydrogen 3.225 N/A ARG 693.A NE GLY 691.A O no hydrogen 3.366 N/A GLY 695.A N LEU 698.A O no hydrogen 3.106 N/A TYR 697.A N ASP 844.A OD2 no hydrogen 2.720 N/A LEU 698.A N ASP 844.A OD2 no hydrogen 2.798 N/A PHE 699.A N TYR 384.A O no hydrogen 3.390 N/A LEU 700.A N SER 694.A OG no hydrogen 2.781 N/A SER 706.A N LYS 684.A O no hydrogen 2.792 N/A VAL 708.A N PHE 682.A O no hydrogen 3.038 N/A VAL 715.A N LEU 622.A O no hydrogen 3.043 N/A LEU 716.A N SER 727.A O no hydrogen 2.763 N/A VAL 717.A N LEU 620.A O no hydrogen 2.817 N/A THR 718.A N SER 725.A O no hydrogen 2.983 N/A THR 718.A OG1 ASN 619.A OD1 no hydrogen 2.944 N/A LYS 719.A N SER 618.A O no hydrogen 2.841 N/A GLY 720.A N SER 724.A OG no hydrogen 2.947 N/A LEU 722.A N GLN 561.A OE1 no hydrogen 2.762 N/A GLU 723.A N GLN 561.A OE1 no hydrogen 2.988 N/A SER 724.A N MET 739.A O no hydrogen 3.009 N/A SER 724.A OG GLY 720.A O no hydrogen 3.174 N/A SER 725.A N THR 718.A O no hydrogen 2.838 N/A VAL 726.A N THR 737.A O no hydrogen 2.903 N/A SER 727.A N LEU 716.A O no hydrogen 2.926 N/A VAL 728.A N HIS 735.A O no hydrogen 2.874 N/A GLY 729.A N VAL 714.A O no hydrogen 3.255 N/A LEU 730.A N VAL 733.A O no hydrogen 2.837 N/A VAL 733.A N LEU 730.A O no hydrogen 3.117 N/A VAL 734.A N LEU 749.A O no hydrogen 2.965 N/A HIS 735.A N VAL 728.A O no hydrogen 2.958 N/A HIS 735.A ND1 ASN 748.A OD1 no hydrogen 2.872 N/A GLN 736.A N ARG 747.A O no hydrogen 2.785 N/A GLN 736.A NE2 VAL 734.A O no hydrogen 3.330 N/A THR 737.A N VAL 726.A O no hydrogen 2.805 N/A ILE 738.A N GLU 745.A O no hydrogen 2.737 N/A MET 739.A N SER 724.A O no hydrogen 2.854 N/A ARG 740.A NE.A GLU 723.A OE2 no hydrogen 2.949 N/A ARG 740.A NH1.A GLU 745.A OE1 no hydrogen 2.735 N/A ARG 740.A NH1.B GLU 745.A OE1 no hydrogen 3.189 N/A ARG 740.A NH2.A GLU 745.A OE1 no hydrogen 3.469 N/A GLU 745.A N ILE 738.A O no hydrogen 2.755 N/A ILE 746.A N TYR 862.A O no hydrogen 2.909 N/A ARG 747.A N GLN 736.A O no hydrogen 2.900 N/A ARG 747.A NE GLU 745.A OE2 no hydrogen 2.559 N/A ARG 747.A NH2 GLU 745.A OE2 no hydrogen 3.044 N/A ASN 748.A N HIS 860.A O no hydrogen 2.931 N/A ASN 748.A ND2 GLN 836.A OE1 no hydrogen 2.875 N/A LEU 749.A N VAL 734.A O no hydrogen 2.866 N/A VAL 750.A N VAL 858.A O no hydrogen 2.831 N/A ASP 751.A N SER 732.A O no hydrogen 2.800 N/A GLY 753.A N ASP 751.A OD1 no hydrogen 2.984 N/A LEU 755.A N ILE 752.A O no hydrogen 3.088 N/A THR 758.A N ARG 839.A O no hydrogen 3.031 N/A THR 758.A OG1 ASP 756.A O.A no hydrogen 3.043 N/A THR 758.A OG1 ASP 756.A O.B no hydrogen 3.014 N/A GLU 759.A N TYR 685.A O no hydrogen 2.912 N/A ILE 760.A N ASP 837.A O no hydrogen 2.921 N/A VAL 761.A N LEU 683.A O no hydrogen 2.903 N/A MET 762.A N ILE 834.A O no hydrogen 2.934 N/A ARG 763.A N LYS 681.A O no hydrogen 2.815 N/A ARG 763.A NE GLU 833.A OE1 no hydrogen 2.900 N/A ARG 763.A NH2 GLU 833.A OE1 no hydrogen 2.842 N/A LEU 764.A N LEU 832.A O no hydrogen 2.758 N/A GLU 765.A N HIS 679.A O.A no hydrogen 2.853 N/A GLU 765.A N HIS 679.A O.B no hydrogen 2.833 N/A THR 766.A N GLY 830.A O no hydrogen 2.992 N/A THR 766.A OG1 GLY 830.A O no hydrogen 2.730 N/A ILE 768.A N THR 766.A OG1 no hydrogen 3.073 N/A ASP 769.A N ASP 809.A OD2 no hydrogen 2.977 N/A GLY 771.A N SER 829.A OG no hydrogen 2.945 N/A ILE 773.A N SER 770.A O no hydrogen 3.152 N/A PHE 774.A N ARG 786.A O no hydrogen 3.068 N/A TYR 775.A N PHE 806.A O no hydrogen 2.893 N/A THR 776.A N ILE 784.A O no hydrogen 3.199 N/A ASP 777.A N GLY 804.A O no hydrogen 3.167 N/A LEU 778.A N GLN 782.A O no hydrogen 2.771 N/A ASN 779.A ND2 GLU 140.A O no hydrogen 2.985 N/A ASN 779.A ND2 SER 143.A O no hydrogen 2.806 N/A GLY 780.A N ASP 777.A OD2 no hydrogen 2.828 N/A LEU 781.A N LEU 778.A O no hydrogen 2.900 N/A GLN 782.A NE2 GLN 219.A OE1 no hydrogen 3.049 N/A ILE 784.A N THR 776.A O no hydrogen 2.871 N/A LYS 785.A N PRO 880.A O no hydrogen 2.899 N/A ARG 786.A N PHE 774.A O no hydrogen 2.669 N/A ARG 786.A NE THR 776.A OG1 no hydrogen 2.859 N/A ARG 786.A NH1 ASP 373.A OD1 no hydrogen 3.214 N/A ARG 786.A NH1 ASP 373.A OD2 no hydrogen 2.865 N/A ARG 786.A NH2 ASP 373.A OD2 no hydrogen 2.828 N/A ARG 788.A N ASP 772.A O no hydrogen 2.688 N/A ARG 788.A NE.A ASP 790.A OD1 no hydrogen 2.832 N/A ARG 788.A NH1.A GLY 771.A O no hydrogen 3.217 N/A ARG 788.A NH1.B GLY 771.A O no hydrogen 3.145 N/A ARG 788.A NH1.B SER 826.A O no hydrogen 3.092 N/A ARG 788.A NH2.A ASP 790.A OD1 no hydrogen 3.436 N/A ARG 788.A NH2.A ASP 790.A OD2 no hydrogen 3.002 N/A ARG 788.A NH2.B GLY 771.A O no hydrogen 2.622 N/A LEU 789.A N ASN 797.A OD1 no hydrogen 2.899 N/A LYS 791.A NZ TYR 19.A O no hydrogen 2.865 N/A LYS 791.A NZ MET 22.A O no hydrogen 2.670 N/A LEU 792.A N LEU 789.A O no hydrogen 3.017 N/A GLN 795.A N GLN 795.A OE1 no hydrogen 2.741 N/A GLN 795.A NE2 ASP 382.A O no hydrogen 3.027 N/A ALA 796.A N PRO 793.A O no hydrogen 2.943 N/A ASN 797.A N LEU 794.A O no hydrogen 2.873 N/A ASN 797.A ND2 LEU 789.A O no hydrogen 3.055 N/A ASN 797.A ND2 LEU 792.A O no hydrogen 3.623 N/A ASN 797.A ND2 PRO 793.A O no hydrogen 3.472 N/A TYR 798.A OH GLU 833.A OE2 no hydrogen 2.619 N/A TYR 799.A N GLY 824.A O no hydrogen 2.902 N/A ILE 801.A N LEU 822.A O no hydrogen 2.804 N/A SER 803.A N ASP 777.A OD1 no hydrogen 2.794 N/A SER 803.A OG ASP 777.A OD2 no hydrogen 2.692 N/A GLY 804.A N ASP 777.A OD1 no hydrogen 2.876 N/A MET 805.A N LEU 816.A O no hydrogen 2.953 N/A PHE 806.A N TYR 775.A O no hydrogen 2.927 N/A ILE 807.A N LEU 814.A O no hydrogen 3.149 N/A ASP 809.A N THR 812.A O no hydrogen 2.961 N/A ASN 811.A N ASP 809.A OD1 no hydrogen 2.903 N/A THR 812.A N ASP 809.A OD1 no hydrogen 2.910 N/A ARG 813.A N GLU 867.A O no hydrogen 2.919 N/A ARG 813.A NE GLU 808.A OE1 no hydrogen 2.937 N/A ARG 813.A NH1 TYR 883.A O no hydrogen 2.832 N/A ARG 813.A NH2 GLU 808.A OE1 no hydrogen 2.914 N/A ARG 813.A NH2 TYR 883.A O no hydrogen 3.333 N/A LEU 814.A N ILE 807.A O no hydrogen 3.007 N/A THR 815.A N VAL 865.A O no hydrogen 2.771 N/A LEU 816.A N MET 805.A O no hydrogen 2.803 N/A LEU 817.A N ARG 863.A O no hydrogen 2.950 N/A THR 818.A N SER 803.A O no hydrogen 2.820 N/A THR 818.A OG1 GLN 820.A O no hydrogen 2.821 N/A GLY 819.A N ILE 861.A O no hydrogen 2.923 N/A GLN 820.A NE2 ILE 861.A O no hydrogen 3.062 N/A LEU 822.A N ILE 801.A O no hydrogen 3.361 N/A GLY 823.A N THR 390.A OG1 no hydrogen 2.935 N/A GLY 824.A N TYR 799.A O no hydrogen 3.040 N/A SER 825.A N GLU 833.A O no hydrogen 2.954 N/A SER 825.A OG ASN 797.A O no hydrogen 2.667 N/A SER 826.A OG ALA 828.A O no hydrogen 3.309 N/A SER 826.A OG GLU 831.A O no hydrogen 2.650 N/A SER 829.A OG ILE 768.A O no hydrogen 3.548 N/A GLY 830.A N SER 770.A OG no hydrogen 2.930 N/A GLU 831.A N ALA 828.A O no hydrogen 2.981 N/A LEU 832.A N LEU 764.A O no hydrogen 3.087 N/A GLU 833.A N SER 825.A O no hydrogen 2.891 N/A ILE 834.A N MET 762.A O no hydrogen 2.897 N/A MET 835.A N GLY 823.A O no hydrogen 2.779 N/A GLN 836.A N ILE 760.A O no hydrogen 2.704 N/A GLN 836.A NE2 ILE 834.A O no hydrogen 2.923 N/A GLN 836.A NE2 TYR 862.A OH no hydrogen 2.933 N/A ARG 838.A N ASP 837.A OD1 no hydrogen 2.728 N/A ARG 838.A NE GLU 759.A OE1 no hydrogen 2.746 N/A ARG 838.A NH1 SER 391.A OG no hydrogen 2.891 N/A ARG 838.A NH1 GLY 695.A O no hydrogen 2.647 N/A ARG 838.A NH2 GLY 695.A O no hydrogen 3.210 N/A ARG 838.A NH2 LEU 698.A O no hydrogen 3.022 N/A ARG 838.A NH2 GLU 759.A OE2 no hydrogen 2.948 N/A ARG 839.A N THR 758.A O no hydrogen 2.945 N/A ARG 839.A NE ASP 756.A OD1.A no hydrogen 2.954 N/A ARG 839.A NE ASP 756.A OD1.B no hydrogen 3.124 N/A ARG 839.A NH1 LEU 853.A O no hydrogen 3.048 N/A ARG 839.A NH1 ASN 855.A OD1 no hydrogen 3.019 N/A LEU 840.A N VAL 852.A O no hydrogen 2.906 N/A ALA 841.A N ASN 757.A OD1 no hydrogen 2.928 N/A GLU 845.A N ASP 843.A OD2 no hydrogen 2.911 N/A ARG 846.A NE ASP 379.A OD2 no hydrogen 2.935 N/A ARG 846.A NH2 ASP 379.A OD1 no hydrogen 2.917 N/A ARG 846.A NH2 ASP 379.A OD2 no hydrogen 3.393 N/A ARG 846.A NH2 ASN 383.A OD1 no hydrogen 2.758 N/A GLY 849.A N ASP 843.A OD1 no hydrogen 2.942 N/A GLN 850.A NE2 THR 450.A OG1 no hydrogen 3.135 N/A GLN 850.A NE2 GLY 851.A O no hydrogen 3.031 N/A VAL 852.A N LEU 840.A O no hydrogen 2.759 N/A ASN 855.A ND2 ASP 837.A OD1 no hydrogen 3.068 N/A ASN 855.A ND2 ASP 837.A OD2 no hydrogen 3.076 N/A ASN 855.A ND2 ARG 838.A O no hydrogen 2.969 N/A LYS 856.A NZ GLU 457.A OE1 no hydrogen 3.041 N/A LYS 856.A NZ GLU 457.A OE2 no hydrogen 2.896 N/A VAL 858.A N VAL 750.A O no hydrogen 3.161 N/A HIS 860.A N ASN 748.A O no hydrogen 2.881 N/A HIS 860.A NE2 GLN 836.A O no hydrogen 2.860 N/A ILE 861.A N GLN 820.A OE1 no hydrogen 3.070 N/A TYR 862.A N ILE 746.A O no hydrogen 2.844 N/A TYR 862.A OH GLN 836.A OE1 no hydrogen 2.767 N/A ARG 863.A N LEU 817.A O no hydrogen 3.036 N/A ARG 863.A NE ALA 743.A O no hydrogen 3.213 N/A ARG 863.A NE PRO 744.A O no hydrogen 3.254 N/A ARG 863.A NH1 SER 894.A OG.A no hydrogen 2.703 N/A ARG 863.A NH2 ALA 743.A O no hydrogen 2.743 N/A LEU 864.A N PRO 744.A O no hydrogen 3.057 N/A VAL 865.A N THR 815.A O no hydrogen 2.860 N/A GLU 867.A N ARG 813.A O no hydrogen 2.932 N/A VAL 869.A N ASN 811.A O no hydrogen 2.789 N/A CYS 872.A N VAL 869.A O no hydrogen 2.969 N/A VAL 873.A N GLN 956.A O no hydrogen 2.788 N/A ARG 874.A NH1 ASP 809.A O no hydrogen 2.930 N/A ARG 874.A NH2 ALA 810.A O no hydrogen 2.688 N/A LEU 878.A N SER 876.A OG no hydrogen 3.045 N/A HIS 879.A N SER 876.A O no hydrogen 2.974 N/A ALA 881.A N HIS 879.A ND1 no hydrogen 3.083 N/A GLY 882.A N PHE 783.A O no hydrogen 3.063 N/A TYR 883.A OH VAL 4.A O no hydrogen 2.649 N/A THR 885.A OG1 GLU 867.A OE1 no hydrogen 3.001 N/A THR 885.A OG1 GLU 867.A OE2 no hydrogen 2.498 N/A SER 886.A OG GLU 925.A OE1 no hydrogen 2.712 N/A SER 886.A OG GLU 925.A OE2 no hydrogen 3.550 N/A SER 886.A OG GLU 961.A OE2 no hydrogen 3.535 N/A ALA 888.A N THR 885.A OG1 no hydrogen 3.254 N/A HIS 889.A N THR 885.A O no hydrogen 2.991 N/A LYS 890.A N SER 886.A O no hydrogen 2.997 N/A ALA 891.A N ALA 887.A O no hydrogen 2.995 N/A SER 892.A N ALA 888.A O no hydrogen 2.929 N/A GLN 893.A N HIS 889.A O no hydrogen 2.986 N/A SER 894.A N LYS 890.A O no hydrogen 2.887 N/A SER 894.A OG.A ALA 891.A O no hydrogen 2.662 N/A SER 894.A OG.B LYS 890.A O no hydrogen 3.230 N/A LEU 895.A N ALA 891.A O no hydrogen 3.247 N/A LEU 895.A N SER 892.A O no hydrogen 2.974 N/A LEU 896.A N SER 892.A O no hydrogen 2.973 N/A ASP 897.A N GLN 893.A O no hydrogen 2.860 N/A LEU 899.A N GLN 537.A OE1 no hydrogen 2.981 N/A ASP 900.A N HIS 528.A O no hydrogen 2.963 N/A LYS 901.A NZ ASP 497.A OD2 no hydrogen 2.906 N/A LYS 901.A NZ SER 499.A OG no hydrogen 2.638 N/A LYS 901.A NZ ASP 540.A O no hydrogen 2.709 N/A PHE 902.A N VAL 526.A O no hydrogen 2.818 N/A ILE 903.A N THR 495.A O no hydrogen 2.907 N/A PHE 904.A N HIS 524.A O no hydrogen 3.031 N/A ALA 905.A N TYR 493.A O no hydrogen 2.799 N/A TRP 909.A NE1 THR 480.A OG1 no hydrogen 2.985 N/A GLN 913.A N LEU 479.A O no hydrogen 2.708 N/A PHE 916.A N LEU 599.A O no hydrogen 2.952 N/A HIS 920.A N GLY 917.A O no hydrogen 2.931 N/A HIS 920.A ND1 PRO 596.A O no hydrogen 2.818 N/A SER 922.A N GLN 965.A OE1 no hydrogen 2.937 N/A ALA 923.A N PRO 532.A O no hydrogen 2.775 N/A LEU 927.A N ARG 924.A O no hydrogen 2.999 N/A ASP 928.A N HIS 950.A O no hydrogen 2.775 N/A SER 930.A N VAL 948.A O no hydrogen 2.725 N/A VAL 931.A N VAL 948.A O no hydrogen 3.345 N/A ARG 933.A N GLY 946.A O no hydrogen 2.883 N/A ARG 933.A NE GLU 410.A OE1 no hydrogen 3.376 N/A ARG 933.A NE GLU 410.A OE2 no hydrogen 2.850 N/A ARG 933.A NH2 GLU 410.A OE1 no hydrogen 3.052 N/A ARG 934.A NE ALA 414.A O no hydrogen 3.059 N/A ARG 934.A NH1 GLN 943.A OE1 no hydrogen 3.010 N/A ARG 934.A NH2 ALA 414.A O no hydrogen 2.853 N/A LEU 935.A N ARG 944.A O no hydrogen 2.748 N/A THR 936.A OG1 GLN 943.A OE1 no hydrogen 2.848 N/A SER 938.A OG TRP 418.A O no hydrogen 3.538 N/A ALA 940.A N LYS 937.A O no hydrogen 3.224 N/A GLN 943.A N HIS 1013.A O no hydrogen 3.012 N/A GLN 943.A NE2 LYS 937.A O no hydrogen 2.960 N/A GLN 943.A NE2 ALA 940.A O no hydrogen 2.923 N/A ARG 944.A N THR 936.A OG1 no hydrogen 2.973 N/A VAL 945.A N SER 1011.A O no hydrogen 2.980 N/A GLY 946.A N ARG 933.A O no hydrogen 2.732 N/A TYR 947.A N TYR 1009.A O no hydrogen 2.743 N/A VAL 948.A N VAL 931.A O no hydrogen 2.821 N/A LEU 949.A N ALA 1007.A O no hydrogen 2.800 N/A HIS 950.A N ASP 928.A O no hydrogen 2.956 N/A HIS 950.A ND1 THR 1006.A OG1 no hydrogen 2.835 N/A ARG 951.A N GLU 1005.A O no hydrogen 3.007 N/A ARG 951.A NE ASP 926.A OD1 no hydrogen 3.428 N/A ARG 951.A NE ASP 926.A OD2 no hydrogen 3.046 N/A ARG 951.A NH1 VAL 1001.A O no hydrogen 3.121 N/A ARG 951.A NH2 ASP 926.A OD2 no hydrogen 3.482 N/A THR 952.A N ASP 926.A O no hydrogen 2.892 N/A ASN 953.A N THR 952.A OG1 no hydrogen 2.781 N/A MET 955.A N LEU 884.A O no hydrogen 2.943 N/A LEU 967.A N GLU 1000.A OE2 no hydrogen 2.826 N/A CYS 970.A N ASP 968.A OD1 no hydrogen 3.087 N/A HIS 971.A N ASP 968.A O no hydrogen 3.125 N/A HIS 971.A ND1 ASP 968.A OD2 no hydrogen 2.576 N/A LEU 972.A N VAL 969.A O no hydrogen 3.194 N/A ALA 977.A N SER 1012.A O no hydrogen 2.750 N/A ARG 978.A NE GLU 980.A OE2 no hydrogen 2.876 N/A GLU 980.A N VAL 1010.A O no hydrogen 2.966 N/A ARG 981.A N GLU 991.A O no hydrogen 2.813 N/A ARG 981.A NE GLU 991.A OE1 no hydrogen 3.212 N/A THR 982.A N ALA 1008.A O no hydrogen 2.892 N/A THR 982.A OG1 THR 983.A O no hydrogen 2.929 N/A THR 983.A N GLN 988.A O no hydrogen 3.017 N/A THR 983.A OG1 THR 985.A OG1 no hydrogen 3.363 N/A LEU 984.A N LYS 188.A O no hydrogen 2.937 N/A THR 985.A OG1 THR 983.A OG1 no hydrogen 3.363 N/A PHE 986.A N THR 983.A O no hydrogen 2.878 N/A GLN 988.A N THR 983.A OG1 no hydrogen 3.156 N/A LEU 990.A N ARG 981.A O no hydrogen 2.754 N/A GLU 991.A N ARG 981.A O no hydrogen 3.357 N/A LEU 993.A N CYS 979.A O no hydrogen 2.804 N/A MET 996.A N LEU 993.A O no hydrogen 3.158 N/A VAL 997.A N ASP 994.A O no hydrogen 3.375 N/A ALA 998.A N ASP 968.A OD1 no hydrogen 2.737 N/A MET 1004.A N ARG 951.A O no hydrogen 2.757 N/A GLU 1005.A N CYS 1002.A O no hydrogen 2.921 N/A THR 1006.A OG1 TYR 184.A OH no hydrogen 2.591 N/A THR 1006.A OG1 HIS 950.A ND1 no hydrogen 2.835 N/A ALA 1007.A N LEU 949.A O no hydrogen 2.877 N/A TYR 1009.A N TYR 947.A O no hydrogen 2.904 N/A VAL 1010.A N GLU 980.A O no hydrogen 2.913 N/A SER 1011.A N VAL 945.A O no hydrogen 2.866 N/A SER 1011.A OG HIS 1013.A NE2 no hydrogen 2.718 N/A SER 1012.A N ARG 978.A O no hydrogen 2.841 N/A HIS 1013.A N GLN 943.A O no hydrogen 2.774 N/A HIS 1013.A ND1 PRO 974.A O no hydrogen 2.918 N/A HIS 1013.A NE2 SER 1011.A OG no hydrogen 2.718 N/A SER 1014.A N ASN 975.A O no hydrogen 3.169 N/A