Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4enz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N ASP 84.A OD1 no hydrogen 2.982 N/A LYS 3.A N LYS 85.A O no hydrogen 3.060 N/A LYS 3.A NZ TYR 5.A OH no hydrogen 3.150 N/A LYS 3.A NZ LYS 79.A O no hydrogen 2.874 N/A LYS 3.A NZ GLU 189.A OE1 no hydrogen 3.028 N/A LYS 3.A NZ GLU 189.A OE2 no hydrogen 2.781 N/A HIS 4.A ND1 HIS 89.A NE2 no hydrogen 3.152 N/A TYR 5.A N TYR 87.A O no hydrogen 3.000 N/A TYR 5.A OH LYS 79.A O no hydrogen 3.305 N/A TYR 5.A OH GLU 189.A OE1 no hydrogen 3.235 N/A ILE 7.A N HIS 89.A O no hydrogen 2.918 N/A GLY 8.A N LEU 54.A O no hydrogen 2.861 N/A ILE 9.A N LYS 91.A O no hydrogen 2.874 N/A ILE 10.A N LEU 52.A O no hydrogen 3.054 N/A THR 12.A N LYS 50.A O no hydrogen 3.008 N/A THR 12.A OG1 THR 13.A O no hydrogen 3.465 N/A TRP 14.A N TYR 48.A O no hydrogen 2.652 N/A TRP 14.A NE1 GLY 245.A O no hydrogen 3.176 N/A TYR 16.A N ARG 46.A O no hydrogen 3.191 N/A TYR 16.A OH GLU 207.A OE2 no hydrogen 2.587 N/A ALA 17.A N ASP 15.A OD1 no hydrogen 2.865 N/A SER 18.A OG ASP 15.A O no hydrogen 3.551 N/A ASP 19.A N ALA 17.A O no hydrogen 2.339 N/A LYS 24.A N SER 473.A O no hydrogen 3.005 N/A LYS 24.A NZ LEU 25.A O no hydrogen 2.751 N/A LYS 24.A NZ VAL 28.A O no hydrogen 3.075 N/A SER 27.A OG ASP 518.A OD1 no hydrogen 2.677 N/A VAL 28.A N LEU 25.A O no hydrogen 3.452 N/A ASP 29.A N ASP 29.A OD1 no hydrogen 2.551 N/A HIS 32.A N ASP 29.A O no hydrogen 3.326 N/A ASN 34.A N GLU 31.A O no hydrogen 3.158 N/A ILE 35.A N HIS 32.A O no hydrogen 3.176 N/A TYR 36.A N SER 33.A O no hydrogen 2.931 N/A TYR 36.A OH GLU 236.A OE1 no hydrogen 2.542 N/A LEU 37.A N SER 33.A O no hydrogen 2.907 N/A GLN 38.A N ASN 34.A O no hydrogen 3.045 N/A GLY 40.A N ARG 43.A O no hydrogen 2.931 N/A ARG 43.A NH1 ASP 42.A O no hydrogen 3.020 N/A TYR 48.A N TRP 14.A O no hydrogen 2.962 N/A TYR 48.A OH GLY 45.A O no hydrogen 3.302 N/A TYR 48.A OH ASN 238.A OD1 no hydrogen 2.553 N/A LYS 49.A N ASN 216.A OD1 no hydrogen 2.613 N/A LYS 50.A N THR 12.A O no hydrogen 2.938 N/A LYS 50.A NZ ALA 171.A O no hydrogen 2.845 N/A LYS 50.A NZ GLU 207.A OE2 no hydrogen 2.578 N/A ALA 51.A N SER 172.A O no hydrogen 2.889 N/A LEU 52.A N ILE 10.A O no hydrogen 2.967 N/A TYR 53.A OH THR 99.A O no hydrogen 2.656 N/A LEU 54.A N GLY 8.A O no hydrogen 2.828 N/A TYR 56.A N TYR 6.A O no hydrogen 2.716 N/A THR 57.A N THR 63.A O no hydrogen 3.170 N/A THR 57.A OG1 THR 63.A OG1 no hydrogen 3.133 N/A GLU 59.A N GLU 59.A OE1 no hydrogen 2.816 N/A THR 60.A OG1 THR 60.A O no hydrogen 2.442 N/A THR 63.A OG1 THR 57.A OG1 no hydrogen 3.133 N/A ILE 65.A N GLN 55.A O no hydrogen 2.783 N/A LYS 67.A NZ TYR 53.A O no hydrogen 2.945 N/A LYS 67.A NZ LEU 74.A O no hydrogen 3.153 N/A LEU 71.A N PRO 68.A O no hydrogen 3.181 N/A GLY 72.A N VAL 69.A O no hydrogen 3.433 N/A LEU 74.A N LEU 71.A O no hydrogen 3.305 N/A GLY 75.A N ILE 175.A O no hydrogen 2.914 N/A ILE 78.A N PRO 177.A O no hydrogen 2.975 N/A LYS 79.A N TYR 5.A OH no hydrogen 3.172 N/A LYS 79.A NZ GLU 189.A O no hydrogen 3.425 N/A LYS 79.A NZ GLU 197.A OE1 no hydrogen 3.056 N/A ALA 80.A N ILE 179.A O no hydrogen 2.991 N/A GLU 81.A N ASP 84.A OD2 no hydrogen 2.707 N/A THR 82.A N CYS 181.A O no hydrogen 3.048 N/A THR 82.A OG1 CYS 181.A O no hydrogen 3.382 N/A GLY 83.A N ALA 142.A O no hydrogen 2.779 N/A ASP 84.A N GLU 81.A O no hydrogen 2.982 N/A LYS 85.A N LYS 1.A O no hydrogen 3.243 N/A VAL 86.A N LEU 140.A O no hydrogen 2.629 N/A TYR 87.A N LYS 3.A O no hydrogen 2.845 N/A TYR 87.A OH GLU 2.A OE1 no hydrogen 3.399 N/A VAL 88.A N TYR 138.A O no hydrogen 2.816 N/A HIS 89.A N TYR 5.A O no hydrogen 2.822 N/A HIS 89.A NE2 HIS 4.A ND1 no hydrogen 3.152 N/A LEU 90.A N TYR 136.A O no hydrogen 2.850 N/A LYS 91.A N ILE 7.A O no hydrogen 3.120 N/A ASN 92.A N GLU 134.A O no hydrogen 3.075 N/A LEU 93.A N ILE 9.A O no hydrogen 2.784 N/A SER 95.A N GLU 11.A OE1 no hydrogen 2.904 N/A SER 95.A OG GLU 11.A OE1 no hydrogen 2.800 N/A TYR 98.A N VAL 130.A O no hydrogen 3.084 N/A TYR 98.A OH TYR 212.A OH no hydrogen 2.773 N/A THR 99.A N SER 162.A OG no hydrogen 2.852 N/A THR 99.A OG1 GLY 113.A O no hydrogen 2.739 N/A PHE 100.A N TYR 138.A OH no hydrogen 3.228 N/A HIS 101.A N HIS 161.A O no hydrogen 2.823 N/A HIS 101.A ND1 GLU 112.A O no hydrogen 2.684 N/A HIS 103.A N ILE 159.A O no hydrogen 2.753 N/A HIS 103.A ND1 ASP 984.A OD1 no hydrogen 3.231 N/A HIS 103.A NE2 HIS 161.A NE2 no hydrogen 2.821 N/A THR 106.A N LEU 141.A O no hydrogen 2.857 N/A THR 106.A OG1 LEU 141.A O no hydrogen 2.794 N/A TYR 107.A OH SER 102.A O no hydrogen 3.277 N/A LYS 109.A NZ GLU 112.A OE1 no hydrogen 2.766 N/A LYS 109.A NZ ASP 118.A OD2 no hydrogen 3.044 N/A LYS 109.A NZ ILE 1005.A O no hydrogen 2.618 N/A GLU 110.A N GLU 110.A OE2 no hydrogen 2.620 N/A HIS 111.A N TYR 108.A O no hydrogen 2.934 N/A GLY 113.A N ASP 127.A OD2 no hydrogen 2.899 N/A ALA 114.A N ASP 128.A OD1 no hydrogen 3.141 N/A ILE 115.A N HIS 163.A O no hydrogen 3.140 N/A TYR 116.A OH GLU 112.A OE2 no hydrogen 2.358 N/A THR 120.A N ASP 118.A OD1 no hydrogen 2.962 N/A THR 120.A OG1 ASP 118.A OD1 no hydrogen 2.310 N/A THR 120.A OG1 ASP 118.A OD2 no hydrogen 3.228 N/A GLN 124.A N THR 121.A O no hydrogen 2.810 N/A ARG 125.A N ASP 122.A O no hydrogen 3.273 N/A ARG 125.A NH2 TYR 116.A O no hydrogen 2.974 N/A ASP 128.A N ARG 125.A O no hydrogen 3.014 N/A LYS 129.A NZ LEU 732.A O no hydrogen 2.755 N/A VAL 130.A N TYR 98.A O no hydrogen 2.974 N/A TYR 131.A N GLU 134.A OE1 no hydrogen 2.968 N/A GLY 133.A N ASN 92.A O no hydrogen 2.682 N/A GLU 134.A N TYR 131.A O no hydrogen 2.893 N/A TYR 136.A N LEU 90.A O no hydrogen 3.034 N/A TYR 136.A OH GLU 110.A O no hydrogen 2.553 N/A TYR 138.A N VAL 88.A O no hydrogen 2.762 N/A TYR 138.A OH ASP 127.A O no hydrogen 2.803 N/A LEU 140.A N VAL 86.A O no hydrogen 2.751 N/A LEU 141.A N THR 106.A O no hydrogen 2.915 N/A ALA 142.A N ASP 84.A O no hydrogen 2.879 N/A GLU 145.A N GLU 145.A OE1 no hydrogen 2.925 N/A GLN 146.A N THR 143.A O no hydrogen 3.213 N/A SER 147.A N GLU 144.A O no hydrogen 2.758 N/A SER 147.A OG GLU 144.A O no hydrogen 2.880 N/A SER 147.A OG GLU 144.A OE2 no hydrogen 3.373 N/A SER 147.A OG PRO 148.A O no hydrogen 3.256 N/A GLY 149.A N ASP 152.A OD2 no hydrogen 3.212 N/A GLY 151.A N VAL 980.A O no hydrogen 2.744 N/A ASP 152.A N GLY 149.A O no hydrogen 2.908 N/A ASN 154.A ND2 GLU 191.A OE2 no hydrogen 3.365 N/A VAL 156.A N ILE 180.A O no hydrogen 2.810 N/A THR 157.A OG1 LEU 266.A O no hydrogen 3.445 N/A ARG 158.A N LEU 178.A O no hydrogen 2.718 N/A ARG 158.A NH1 THR 157.A O no hydrogen 2.813 N/A ARG 158.A NH2 SER 982.A O no hydrogen 3.101 N/A TYR 160.A N GLY 176.A O no hydrogen 2.908 N/A TYR 160.A OH PRO 76.A O no hydrogen 2.635 N/A HIS 161.A N HIS 101.A O no hydrogen 2.888 N/A HIS 161.A ND1 SER 162.A O no hydrogen 3.170 N/A HIS 161.A NE2 HIS 103.A NE2 no hydrogen 2.821 N/A SER 162.A N LEU 174.A O no hydrogen 3.420 N/A SER 162.A OG ASP 169.A OD2 no hydrogen 2.804 N/A HIS 163.A N THR 99.A OG1 no hydrogen 2.753 N/A HIS 163.A ND1 HIS 163.A O no hydrogen 2.940 N/A ILE 164.A N ASP 169.A OD2 no hydrogen 3.004 N/A LYS 168.A N ASP 165.A OD1 no hydrogen 3.269 N/A LYS 168.A NZ PHE 209.A O no hydrogen 3.510 N/A ASP 169.A N ASP 165.A O no hydrogen 2.765 N/A ILE 170.A N ALA 166.A O no hydrogen 2.784 N/A ALA 171.A N PRO 167.A O no hydrogen 2.888 N/A SER 172.A N LYS 168.A O no hydrogen 2.981 N/A SER 172.A OG LYS 168.A O no hydrogen 2.706 N/A SER 172.A OG SER 210.A OG no hydrogen 3.200 N/A GLY 173.A N ASP 169.A O no hydrogen 3.192 N/A GLY 173.A N ILE 170.A O no hydrogen 3.045 N/A LEU 174.A N ASP 169.A O no hydrogen 3.254 N/A ILE 175.A N GLY 173.A O no hydrogen 3.047 N/A GLY 176.A N TYR 160.A O no hydrogen 2.789 N/A LEU 178.A N ARG 158.A O no hydrogen 2.655 N/A ILE 179.A N ILE 78.A O no hydrogen 2.837 N/A ILE 180.A N VAL 156.A O no hydrogen 3.200 N/A CYS 181.A N ALA 80.A O no hydrogen 2.777 N/A LYS 182.A N ASN 154.A O no hydrogen 2.846 N/A LYS 182.A NZ GLY 149.A O no hydrogen 3.308 N/A LYS 183.A NZ ASP 184.A OD1 no hydrogen 3.376 N/A LYS 183.A NZ ASP 184.A OD2 no hydrogen 2.957 N/A SER 185.A N LYS 182.A O no hydrogen 3.374 N/A SER 185.A OG LYS 182.A O no hydrogen 2.896 N/A LEU 186.A N GLU 81.A OE2 no hydrogen 3.211 N/A ASP 187.A N LYS 190.A O no hydrogen 2.785 N/A LYS 190.A N ASP 187.A O no hydrogen 3.266 N/A LYS 190.A NZ ASP 195.A O no hydrogen 3.447 N/A GLU 191.A N GLU 197.A OE2 no hydrogen 3.175 N/A LYS 192.A N SER 185.A O no hydrogen 3.388 N/A LYS 192.A NZ ASP 184.A O no hydrogen 2.884 N/A ILE 194.A N GLU 191.A O no hydrogen 3.244 N/A ASP 195.A N ARG 261.A O no hydrogen 2.784 N/A ARG 196.A N ARG 261.A O no hydrogen 3.193 N/A PHE 198.A N LYS 263.A O no hydrogen 3.150 N/A VAL 200.A N TYR 265.A O no hydrogen 2.740 N/A MET 201.A N ASN 244.A OD1 no hydrogen 2.780 N/A PHE 202.A N PHE 267.A O no hydrogen 2.859 N/A SER 203.A N SER 242.A O no hydrogen 3.193 N/A SER 203.A OG MET 269.A O no hydrogen 2.718 N/A VAL 204.A N ASP 274.A OD2 no hydrogen 2.722 N/A VAL 205.A N MET 240.A O no hydrogen 2.890 N/A GLU 207.A N ASN 238.A O no hydrogen 3.190 N/A ASN 208.A N ASP 206.A OD1 no hydrogen 3.162 N/A ASN 208.A ND2 ASP 206.A OD1 no hydrogen 2.822 N/A ASN 208.A ND2 GLN 235.A O no hydrogen 3.027 N/A PHE 209.A N ASP 206.A O no hydrogen 2.988 N/A SER 210.A N GLU 207.A O no hydrogen 3.201 N/A SER 210.A OG SER 172.A OG no hydrogen 3.200 N/A TRP 211.A N SER 172.A OG no hydrogen 2.892 N/A TRP 211.A NE1 ASP 169.A OD1 no hydrogen 2.889 N/A TYR 212.A N SER 210.A OG no hydrogen 2.901 N/A TYR 212.A OH GLU 11.A OE1 no hydrogen 2.715 N/A TYR 212.A OH TYR 98.A OH no hydrogen 2.773 N/A ASN 216.A N TYR 212.A O no hydrogen 2.910 N/A ASN 216.A ND2 LYS 49.A O no hydrogen 3.185 N/A ILE 217.A N LEU 213.A O no hydrogen 2.811 N/A LYS 218.A N GLU 214.A O no hydrogen 2.832 N/A THR 219.A N ASP 215.A O no hydrogen 2.892 N/A THR 219.A OG1 ASP 215.A O no hydrogen 3.095 N/A TYR 220.A N ASN 216.A O no hydrogen 3.051 N/A CYS 221.A N ILE 217.A O no hydrogen 3.142 N/A GLU 223.A N PRO 41.A O no hydrogen 3.033 N/A GLU 225.A N GLU 225.A OE2 no hydrogen 3.010 N/A VAL 227.A N PRO 224.A O no hydrogen 3.406 N/A LYS 229.A NZ GLU 214.A OE2 no hydrogen 2.764 N/A ASP 230.A N ASP 228.A OD1 no hydrogen 3.169 N/A ASN 231.A N ASP 228.A O no hydrogen 2.918 N/A GLN 235.A N ASN 231.A O no hydrogen 3.217 N/A GLU 236.A N GLU 232.A O no hydrogen 3.097 N/A SER 237.A N ASP 233.A O no hydrogen 3.155 N/A SER 237.A OG PHE 234.A O no hydrogen 2.447 N/A ASN 238.A N GLN 235.A O no hydrogen 2.874 N/A ASN 238.A ND2 ASN 208.A OD1 no hydrogen 3.270 N/A ARG 239.A N GLU 236.A O no hydrogen 2.771 N/A ARG 239.A NH1 GLU 232.A OE2 no hydrogen 2.989 N/A ARG 239.A NH1 GLU 236.A OE2 no hydrogen 3.176 N/A MET 240.A N VAL 205.A O no hydrogen 2.934 N/A TYR 241.A OH GLU 236.A OE2 no hydrogen 3.272 N/A SER 242.A N SER 203.A O no hydrogen 3.109 N/A SER 242.A OG SER 203.A O no hydrogen 2.997 N/A SER 242.A OG MET 240.A O no hydrogen 3.470 N/A VAL 243.A N TYR 246.A O no hydrogen 3.000 N/A ASN 244.A N MET 201.A O no hydrogen 2.775 N/A ASN 244.A ND2 TRP 70.A O no hydrogen 2.619 N/A ASN 244.A ND2 VAL 199.A O no hydrogen 2.979 N/A TYR 246.A N VAL 243.A O no hydrogen 2.888 N/A THR 247.A N TYR 16.A O no hydrogen 2.956 N/A THR 247.A OG1 TYR 16.A O no hydrogen 2.612 N/A GLY 249.A N GLN 330.A O no hydrogen 3.004 N/A SER 250.A N THR 247.A O no hydrogen 2.886 N/A SER 250.A OG THR 247.A O no hydrogen 2.425 N/A SER 255.A N GLY 253.A O no hydrogen 2.837 N/A SER 255.A OG GLN 334.A OE1 no hydrogen 3.484 N/A MET 256.A N GLN 334.A O no hydrogen 2.834 N/A CYS 257.A N ASP 260.A OD2 no hydrogen 3.052 N/A ALA 258.A N GLN 336.A O no hydrogen 2.731 N/A GLU 259.A N ALA 309.A O no hydrogen 2.777 N/A ASP 260.A N CYS 257.A O no hydrogen 3.372 N/A ARG 261.A N ASP 195.A OD2 no hydrogen 3.024 N/A ARG 261.A NH1 ASP 195.A OD1 no hydrogen 2.847 N/A VAL 262.A N MET 307.A O no hydrogen 2.714 N/A LYS 263.A N ARG 196.A O no hydrogen 2.852 N/A TRP 264.A N ALA 305.A O no hydrogen 2.794 N/A TYR 265.A N PHE 198.A O no hydrogen 2.792 N/A LEU 266.A N PHE 303.A O no hydrogen 2.801 N/A PHE 267.A N VAL 200.A O no hydrogen 3.068 N/A GLY 268.A N THR 301.A O no hydrogen 3.358 N/A MET 269.A N PHE 202.A O no hydrogen 3.228 N/A ASN 271.A N ASP 274.A OD1 no hydrogen 2.623 N/A ASN 271.A ND2 ASP 1014.A OD2 no hydrogen 2.963 N/A GLU 272.A N ASN 271.A OD1 no hydrogen 2.962 N/A ASP 274.A N ASN 271.A O no hydrogen 2.810 N/A HIS 276.A N LEU 297.A O no hydrogen 2.965 N/A HIS 276.A NE2 ASP 274.A OD2 no hydrogen 2.953 N/A ALA 278.A N ILE 295.A O no hydrogen 2.866 N/A PHE 279.A N SER 318.A O no hydrogen 2.624 N/A HIS 281.A N MET 316.A O no hydrogen 2.934 N/A HIS 281.A ND1 MET 316.A O no hydrogen 3.225 N/A GLN 283.A NE2 GLN 310.A O no hydrogen 3.150 N/A THR 286.A N TYR 306.A O no hydrogen 2.925 N/A ASN 287.A N TYR 290.A O no hydrogen 2.966 N/A TYR 290.A N ASN 287.A O no hydrogen 3.082 N/A ARG 291.A N ASP 505.A OD2 no hydrogen 3.017 N/A ARG 291.A NE LEU 285.A O no hydrogen 3.252 N/A ARG 291.A NH1 GLY 500.A O no hydrogen 2.656 N/A ARG 291.A NH2 LEU 285.A O no hydrogen 3.448 N/A ILE 292.A N LEU 285.A O no hydrogen 3.219 N/A THR 294.A OG1 GLN 654.A O no hydrogen 3.278 N/A ASN 296.A ND2 THR 655.A OG1 no hydrogen 2.721 N/A LEU 297.A N HIS 276.A O no hydrogen 3.162 N/A PHE 298.A N THR 301.A OG1 no hydrogen 3.019 N/A ALA 300.A N GLY 268.A O no hydrogen 2.811 N/A THR 301.A N PHE 298.A O no hydrogen 2.842 N/A THR 301.A OG1 PHE 298.A O no hydrogen 3.086 N/A THR 301.A OG1 ASP 987.A OD1 no hydrogen 3.259 N/A THR 301.A OG1 ASP 987.A OD2 no hydrogen 2.869 N/A PHE 303.A N LEU 266.A O no hydrogen 2.959 N/A ALA 305.A N TRP 264.A O no hydrogen 2.942 N/A TYR 306.A N THR 286.A O no hydrogen 2.967 N/A MET 307.A N VAL 262.A O no hydrogen 2.874 N/A ALA 309.A N ASP 260.A O no hydrogen 3.086 N/A GLN 310.A N GLN 283.A OE1 no hydrogen 3.099 N/A ASN 311.A ND2 PHE 463.A O no hydrogen 3.035 N/A TRP 315.A N PHE 333.A O no hydrogen 2.917 N/A TRP 315.A NE1 ASN 311.A O no hydrogen 2.926 N/A LEU 317.A N ALA 331.A O no hydrogen 2.552 N/A SER 318.A N PHE 279.A O no hydrogen 2.927 N/A CYS 319.A N LEU 329.A O no hydrogen 3.085 N/A CYS 319.A SG HIS 276.A ND1 no hydrogen 3.779 N/A CYS 319.A SG HIS 324.A ND1 no hydrogen 3.471 N/A GLN 320.A N ALA 277.A O no hydrogen 2.968 N/A GLN 320.A NE2 SER 318.A OG no hydrogen 2.707 N/A ASN 321.A ND2 VAL 275.A O no hydrogen 2.837 N/A ASN 321.A ND2 GLU 626.A OE1 no hydrogen 3.079 N/A LEU 322.A N GLY 624.A O no hydrogen 2.884 N/A ASN 323.A ND2 GLU 626.A OE2 no hydrogen 3.167 N/A HIS 324.A N ASN 321.A OD1 no hydrogen 3.424 N/A HIS 324.A ND1 HIS 276.A ND1 no hydrogen 3.006 N/A HIS 324.A NE2 VAL 273.A O no hydrogen 2.930 N/A LEU 325.A N ASN 321.A O no hydrogen 2.782 N/A LYS 326.A N LEU 322.A O no hydrogen 3.171 N/A LYS 326.A NZ ASN 323.A OD1 no hydrogen 3.526 N/A ALA 327.A N HIS 324.A O no hydrogen 2.914 N/A GLY 328.A N LEU 325.A O no hydrogen 3.048 N/A LEU 329.A N HIS 324.A O no hydrogen 3.147 N/A ALA 331.A N LEU 317.A O no hydrogen 2.747 N/A PHE 333.A N TRP 315.A O no hydrogen 2.980 N/A GLN 334.A N LEU 254.A O no hydrogen 2.928 N/A VAL 335.A N GLY 313.A O no hydrogen 2.963 N/A GLN 336.A N MET 256.A O no hydrogen 2.981 N/A CYS 338.A N ASN 339.A O no hydrogen 2.795 N/A CYS 338.A SG GLN 336.A O no hydrogen 3.779 N/A SER 342.A OG SER 343.A O no hydrogen 3.120 N/A SER 343.A N SER 342.A OG no hydrogen 2.094 N/A LYS 344.A N SER 343.A OG no hydrogen 2.757 N/A GLY 349.A N THR 441.A OG1 no hydrogen 3.103 N/A ARG 353.A N THR 441.A O no hydrogen 3.063 N/A ARG 353.A NE ASP 440.A OD2 no hydrogen 3.004 N/A ARG 353.A NH2 ASP 440.A OD2 no hydrogen 2.977 N/A TYR 355.A N ARG 443.A O no hydrogen 2.787 N/A TYR 355.A OH TRP 435.A O no hydrogen 2.770 N/A ILE 357.A N THR 445.A O no hydrogen 2.986 N/A ALA 358.A N ARG 407.A O no hydrogen 2.813 N/A ALA 359.A N HIS 447.A O no hydrogen 2.962 N/A GLU 360.A N VAL 405.A O no hydrogen 3.001 N/A ILE 362.A N LYS 403.A O no hydrogen 2.967 N/A TRP 364.A N TYR 401.A O no hydrogen 3.077 N/A TRP 364.A NE1 GLY 599.A O no hydrogen 2.745 N/A TYR 366.A N GLY 399.A O no hydrogen 3.042 N/A TYR 366.A OH GLU 561.A OE2 no hydrogen 2.574 N/A ALA 367.A N ASN 365.A OD1 no hydrogen 2.749 N/A GLY 370.A N ALA 367.A O no hydrogen 3.057 N/A ILE 371.A N SER 369.A OG no hydrogen 3.011 N/A ASP 372.A N GLU 377.A O no hydrogen 2.944 N/A ILE 373.A N TYR 602.A O no hydrogen 3.222 N/A PHE 374.A N ASP 372.A OD1 no hydrogen 2.853 N/A THR 375.A N ASP 372.A O no hydrogen 3.213 N/A LYS 376.A N ASP 372.A O no hydrogen 2.699 N/A GLU 377.A N THR 375.A OG1 no hydrogen 3.349 N/A LEU 379.A N GLY 370.A O no hydrogen 3.145 N/A THR 380.A OG1 ASN 378.A OD1 no hydrogen 3.523 N/A ALA 381.A N ASN 378.A O no hydrogen 3.109 N/A SER 384.A N ALA 381.A O no hydrogen 2.936 N/A SER 384.A OG LEU 379.A O no hydrogen 3.499 N/A SER 384.A OG ALA 381.A O no hydrogen 3.077 N/A SER 384.A OG SER 386.A OG no hydrogen 3.139 N/A SER 386.A OG LEU 379.A O no hydrogen 2.600 N/A SER 386.A OG SER 384.A OG no hydrogen 3.139 N/A ALA 387.A N SER 384.A OG no hydrogen 3.167 N/A PHE 389.A N SER 386.A O no hydrogen 2.861 N/A PHE 390.A N SER 386.A O no hydrogen 3.026 N/A GLU 391.A N ALA 387.A O no hydrogen 3.044 N/A GLN 392.A NE2 PHE 574.A O no hydrogen 2.952 N/A GLY 393.A N ARG 396.A O no hydrogen 3.186 N/A ARG 396.A N GLY 393.A O no hydrogen 3.425 N/A ARG 396.A NE THR 395.A O no hydrogen 2.945 N/A ARG 396.A NH2 THR 395.A O no hydrogen 3.170 N/A ARG 396.A NH2 THR 395.A OG1 no hydrogen 2.724 N/A TYR 401.A N TRP 364.A O no hydrogen 3.103 N/A TYR 401.A OH ASN 592.A OD1 no hydrogen 2.848 N/A LYS 402.A N ASN 570.A OD1 no hydrogen 2.693 N/A LYS 402.A NZ ASP 569.A OD2 no hydrogen 3.412 N/A LYS 403.A N ILE 362.A O no hydrogen 2.732 N/A LYS 403.A NZ PHE 524.A O no hydrogen 2.604 N/A LYS 403.A NZ GLU 561.A OE1 no hydrogen 3.427 N/A LYS 403.A NZ GLU 561.A OE2 no hydrogen 2.623 N/A LEU 404.A N THR 525.A O no hydrogen 3.026 N/A VAL 405.A N GLU 360.A O no hydrogen 3.186 N/A TYR 406.A OH SER 455.A O no hydrogen 2.624 N/A ARG 407.A N ALA 358.A O no hydrogen 2.774 N/A ARG 407.A NH1 TYR 406.A O no hydrogen 2.691 N/A TYR 409.A N TYR 356.A O no hydrogen 2.958 N/A TYR 409.A OH GLU 360.A OE2 no hydrogen 2.770 N/A SER 413.A N ASP 411.A OD2 no hydrogen 2.899 N/A SER 413.A OG ASP 411.A OD2 no hydrogen 3.068 N/A SER 413.A OG THR 415.A OG1 no hydrogen 2.521 N/A THR 415.A N SER 413.A OG no hydrogen 3.151 N/A THR 415.A OG1 SER 413.A OG no hydrogen 2.521 N/A ARG 417.A NH2 GLU 360.A OE1 no hydrogen 2.688 N/A LYS 418.A N GLU 408.A O no hydrogen 2.944 N/A ARG 420.A NH1 GLY 428.A O no hydrogen 2.916 N/A ARG 420.A NH1 LEU 430.A O no hydrogen 3.512 N/A ARG 420.A NH2 LEU 430.A O no hydrogen 2.697 N/A GLY 421.A N GLU 424.A OE2 no hydrogen 3.343 N/A GLU 425.A N PRO 422.A O no hydrogen 3.338 N/A LEU 427.A N GLU 424.A O no hydrogen 3.270 N/A ILE 429.A N ASN 598.A O no hydrogen 3.016 N/A LEU 430.A N LEU 427.A O no hydrogen 3.010 N/A GLY 431.A N ILE 528.A O no hydrogen 3.053 N/A ILE 434.A N PRO 530.A O no hydrogen 3.081 N/A TRP 435.A N TYR 355.A OH no hydrogen 2.949 N/A ALA 436.A N LYS 532.A O no hydrogen 3.131 N/A GLU 437.A N ASP 440.A OD2 no hydrogen 2.668 N/A VAL 438.A N CYS 534.A O no hydrogen 2.744 N/A GLY 439.A N VAL 495.A O no hydrogen 2.671 N/A ASP 440.A N GLU 437.A O no hydrogen 2.983 N/A THR 441.A N HIS 351.A O no hydrogen 2.750 N/A ILE 442.A N TRP 493.A O no hydrogen 2.773 N/A ARG 443.A N ARG 353.A O no hydrogen 2.953 N/A ARG 443.A NH2 GLU 492.A OE2 no hydrogen 2.744 N/A VAL 444.A N TYR 491.A O no hydrogen 3.087 N/A THR 445.A N TYR 355.A O no hydrogen 2.935 N/A THR 445.A OG1 THR 490.A OG1 no hydrogen 3.270 N/A PHE 446.A N PHE 489.A O no hydrogen 2.725 N/A HIS 447.A N ILE 357.A O no hydrogen 3.121 N/A ASN 448.A N GLU 487.A O no hydrogen 3.057 N/A ASN 448.A ND2 TYR 452.A O no hydrogen 2.837 N/A ASN 448.A ND2 VAL 483.A O no hydrogen 3.197 N/A LYS 449.A N ALA 359.A O no hydrogen 2.885 N/A LYS 449.A NZ GLU 360.A OE2 no hydrogen 3.052 N/A LYS 449.A NZ TYR 409.A OH no hydrogen 3.204 N/A GLY 450.A N ASN 448.A OD1 no hydrogen 2.749 N/A LEU 454.A N VAL 483.A O no hydrogen 2.903 N/A SER 455.A N SER 515.A OG no hydrogen 2.780 N/A SER 455.A OG GLY 469.A O no hydrogen 2.964 N/A ILE 456.A N TYR 491.A OH no hydrogen 2.961 N/A GLU 457.A N TYR 514.A O no hydrogen 2.818 N/A ILE 459.A N MET 512.A O no hydrogen 2.865 N/A ARG 462.A N THR 494.A O no hydrogen 2.876 N/A LYS 465.A NZ GLU 314.A O no hydrogen 2.472 N/A LYS 465.A NZ GLU 468.A OE1 no hydrogen 2.651 N/A ASN 467.A N ASN 464.A O no hydrogen 3.122 N/A ASN 467.A ND2 ASN 464.A OD1 no hydrogen 2.299 N/A GLU 468.A N LYS 465.A O no hydrogen 3.400 N/A GLY 469.A N GLU 457.A OE1 no hydrogen 3.241 N/A THR 470.A OG1 GLU 457.A OE2 no hydrogen 3.045 N/A TYR 472.A OH GLU 468.A OE2 no hydrogen 2.669 N/A SER 473.A N LYS 24.A O no hydrogen 3.017 N/A SER 473.A OG ASN 475.A O no hydrogen 3.423 N/A SER 479.A N HIS 482.A O no hydrogen 2.986 N/A HIS 482.A N SER 479.A O no hydrogen 3.273 N/A VAL 483.A N LEU 454.A O no hydrogen 3.033 N/A ALA 484.A N GLU 487.A OE2 no hydrogen 2.696 N/A GLU 487.A N ALA 484.A O no hydrogen 2.886 N/A THR 488.A OG1 PHE 446.A O no hydrogen 3.493 N/A PHE 489.A N PHE 446.A O no hydrogen 2.929 N/A THR 490.A OG1 THR 445.A OG1 no hydrogen 3.270 N/A TYR 491.A N VAL 444.A O no hydrogen 2.965 N/A TYR 491.A OH ALA 480.A O no hydrogen 2.891 N/A GLU 492.A N ASN 467.A OD1 no hydrogen 2.885 N/A TRP 493.A N ILE 442.A O no hydrogen 2.927 N/A THR 494.A N ARG 462.A O no hydrogen 2.698 N/A VAL 495.A N ASP 440.A O no hydrogen 3.096 N/A LYS 497.A N ASP 345.A OD2 no hydrogen 3.254 N/A VAL 499.A N PRO 496.A O no hydrogen 2.866 N/A GLY 500.A N PRO 496.A O no hydrogen 3.230 N/A GLY 500.A N LYS 497.A O no hydrogen 3.257 N/A THR 502.A N ASP 505.A OD2 no hydrogen 2.793 N/A THR 502.A OG1 ASN 289.A O no hydrogen 3.119 N/A THR 502.A OG1 ASP 505.A OD2 no hydrogen 2.841 N/A ASP 505.A N THR 502.A O no hydrogen 3.130 N/A LEU 509.A N ILE 533.A O no hydrogen 2.941 N/A ALA 510.A N THR 658.A OG1 no hydrogen 2.998 N/A LYS 511.A N MET 531.A O no hydrogen 2.974 N/A LYS 511.A NZ ASP 293.A OD1 no hydrogen 2.945 N/A LYS 511.A NZ ASP 293.A OD2 no hydrogen 3.033 N/A TYR 513.A N GLY 529.A O no hydrogen 2.956 N/A TYR 513.A OH PRO 432.A O no hydrogen 2.569 N/A TYR 514.A N GLU 457.A O no hydrogen 2.978 N/A TYR 514.A OH GLN 654.A OE1 no hydrogen 3.189 N/A SER 515.A N LEU 527.A O no hydrogen 3.177 N/A SER 515.A OG SER 455.A O no hydrogen 3.224 N/A SER 515.A OG ASP 522.A OD2 no hydrogen 3.088 N/A ALA 516.A N SER 455.A OG no hydrogen 2.883 N/A ASP 518.A N ASP 522.A OD2 no hydrogen 3.033 N/A THR 520.A N ASP 518.A OD1 no hydrogen 3.124 N/A THR 520.A OG1 ASP 518.A OD1 no hydrogen 2.700 N/A LYS 521.A N ASP 518.A O no hydrogen 3.252 N/A ASP 522.A N ASP 518.A O no hydrogen 2.837 N/A THR 525.A N LYS 521.A O no hydrogen 3.031 N/A THR 525.A OG1 LYS 521.A O no hydrogen 2.645 N/A GLY 526.A N ASP 522.A O no hydrogen 3.096 N/A GLY 526.A N ILE 523.A O no hydrogen 2.730 N/A LEU 527.A N ASP 522.A O no hydrogen 3.178 N/A ILE 528.A N GLY 526.A O no hydrogen 2.924 N/A GLY 529.A N TYR 513.A O no hydrogen 2.831 N/A MET 531.A N LYS 511.A O no hydrogen 2.907 N/A LYS 532.A N ILE 434.A O no hydrogen 2.890 N/A LYS 532.A NZ GLY 543.A O no hydrogen 2.790 N/A LYS 532.A NZ GLU 551.A OE1 no hydrogen 2.771 N/A LYS 532.A NZ GLU 551.A OE2 no hydrogen 2.961 N/A LYS 532.A NZ TYR 553.A OH no hydrogen 3.353 N/A ILE 533.A N LEU 509.A O no hydrogen 3.147 N/A CYS 534.A N ALA 436.A O no hydrogen 3.022 N/A LYS 535.A N VAL 507.A O no hydrogen 3.063 N/A LYS 535.A NZ THR 502.A O no hydrogen 3.205 N/A LYS 535.A NZ ASN 503.A O no hydrogen 3.465 N/A LYS 535.A NZ ASP 505.A O no hydrogen 3.120 N/A SER 538.A N LYS 535.A O no hydrogen 3.214 N/A SER 538.A OG LYS 535.A O no hydrogen 2.734 N/A LEU 539.A N GLU 437.A OE2 no hydrogen 2.935 N/A HIS 540.A N ARG 544.A O no hydrogen 2.860 N/A GLY 543.A N HIS 540.A O no hydrogen 2.907 N/A ARG 544.A N ASN 542.A OD1 no hydrogen 2.965 N/A ARG 544.A NH2 VAL 548.A O no hydrogen 3.411 N/A GLN 545.A N GLU 551.A OE2 no hydrogen 3.098 N/A GLN 545.A NE2 TYR 619.A OH no hydrogen 3.095 N/A LYS 546.A N SER 538.A O no hydrogen 3.063 N/A LYS 546.A NZ GLY 537.A O no hydrogen 3.068 N/A LYS 550.A N SER 615.A O no hydrogen 3.084 N/A PHE 552.A N VAL 617.A O no hydrogen 2.941 N/A TYR 553.A N HIS 426.A NE2 no hydrogen 3.028 N/A LEU 554.A N TYR 619.A O no hydrogen 2.917 N/A PHE 555.A N ASN 598.A OD1 no hydrogen 2.698 N/A THR 557.A N SER 596.A O no hydrogen 3.032 N/A THR 557.A OG1 ALA 623.A O no hydrogen 3.061 N/A THR 557.A OG1 ASP 628.A OD1 no hydrogen 3.169 N/A VAL 558.A N ASP 628.A OD1 no hydrogen 3.237 N/A PHE 559.A N MET 594.A O no hydrogen 2.837 N/A GLU 561.A N ASN 592.A O no hydrogen 3.012 N/A ASN 562.A N ASP 560.A OD1 no hydrogen 2.847 N/A ASN 562.A ND2 ASP 560.A OD1 no hydrogen 2.908 N/A ASN 562.A ND2 GLN 589.A O no hydrogen 2.866 N/A GLU 563.A N ASP 560.A O no hydrogen 2.988 N/A SER 564.A N GLU 561.A O no hydrogen 3.268 N/A LEU 565.A N THR 525.A OG1 no hydrogen 2.835 N/A LEU 566.A N SER 564.A OG no hydrogen 2.935 N/A LEU 567.A N SER 564.A O no hydrogen 2.858 N/A ASN 570.A N LEU 566.A O no hydrogen 2.798 N/A ASN 570.A ND2 LYS 402.A O no hydrogen 3.223 N/A ILE 571.A N LEU 567.A O no hydrogen 2.828 N/A ARG 572.A N GLU 568.A O no hydrogen 2.993 N/A ARG 572.A NH2 ASP 579.A OD2 no hydrogen 3.193 N/A MET 573.A N ASP 569.A O no hydrogen 3.126 N/A MET 573.A N ASN 570.A O no hydrogen 3.347 N/A PHE 574.A N ASN 570.A O no hydrogen 3.174 N/A THR 575.A OG1 ILE 571.A O no hydrogen 2.596 N/A THR 576.A N GLY 393.A O no hydrogen 3.127 N/A GLN 580.A N ALA 577.A O no hydrogen 3.037 N/A VAL 581.A N PRO 578.A O no hydrogen 3.423 N/A LYS 583.A NZ GLU 568.A OE2 no hydrogen 2.601 N/A GLU 584.A N ASP 582.A OD1 no hydrogen 2.999 N/A ASP 585.A N ASP 582.A O no hydrogen 3.157 N/A PHE 588.A N ASP 585.A OD2 no hydrogen 3.389 N/A GLN 589.A N ASP 585.A O no hydrogen 3.099 N/A GLU 590.A N GLU 586.A O no hydrogen 3.005 N/A SER 591.A N ASP 587.A O no hydrogen 3.116 N/A SER 591.A OG PHE 588.A O no hydrogen 2.452 N/A ASN 592.A N GLN 589.A O no hydrogen 3.114 N/A ASN 592.A ND2 ASN 562.A OD1 no hydrogen 2.895 N/A LYS 593.A N GLU 590.A O no hydrogen 2.929 N/A MET 594.A N PHE 559.A O no hydrogen 2.873 N/A SER 596.A N THR 557.A O no hydrogen 3.070 N/A SER 596.A OG THR 557.A O no hydrogen 3.501 N/A SER 596.A OG MET 594.A O no hydrogen 3.066 N/A MET 597.A N PHE 600.A O no hydrogen 2.924 N/A ASN 598.A N PHE 555.A O no hydrogen 2.934 N/A ASN 598.A ND2 HIS 426.A O no hydrogen 2.738 N/A ASN 598.A ND2 TYR 553.A O no hydrogen 2.791 N/A PHE 600.A N MET 597.A O no hydrogen 2.731 N/A MET 601.A N TYR 366.A O no hydrogen 3.048 N/A TYR 602.A N GLY 682.A O no hydrogen 2.866 N/A TYR 602.A OH THR 680.A O no hydrogen 2.591 N/A GLY 603.A N LYS 684.A O no hydrogen 2.747 N/A ASN 604.A N MET 601.A O no hydrogen 3.131 N/A ASN 604.A ND2 SER 369.A OG no hydrogen 2.396 N/A GLN 605.A N GLN 685.A OE1 no hydrogen 2.729 N/A MET 610.A N THR 688.A O no hydrogen 3.122 N/A CYS 611.A N ASP 614.A OD2 no hydrogen 3.080 N/A LYS 612.A N ASN 690.A O no hydrogen 2.750 N/A GLY 613.A N PRO 663.A O no hydrogen 2.877 N/A ASP 614.A N CYS 611.A O no hydrogen 3.130 N/A SER 615.A N ASP 549.A OD2 no hydrogen 2.892 N/A SER 615.A OG HIS 660.A NE2.A no hydrogen 3.004 N/A VAL 616.A N MET 661.A O no hydrogen 2.885 N/A VAL 617.A N LYS 550.A O no hydrogen 2.977 N/A TRP 618.A N LEU 659.A O no hydrogen 2.941 N/A TYR 619.A N PHE 552.A O no hydrogen 2.796 N/A TYR 619.A OH GLU 551.A OE1 no hydrogen 2.630 N/A LEU 620.A N LEU 657.A O no hydrogen 2.821 N/A PHE 621.A N LEU 554.A O no hydrogen 3.091 N/A SER 622.A N THR 655.A O no hydrogen 3.082 N/A SER 622.A OG PRO 556.A O no hydrogen 2.716 N/A SER 622.A OG ALA 623.A O no hydrogen 3.430 N/A ASN 625.A N ASP 628.A OD2 no hydrogen 2.817 N/A GLU 626.A N GLU 626.A OE1 no hydrogen 2.831 N/A ALA 627.A N ASN 625.A OD1 no hydrogen 2.885 N/A ASP 628.A N ASN 625.A O no hydrogen 2.917 N/A HIS 630.A N LEU 651.A O no hydrogen 2.940 N/A HIS 630.A NE2 ASP 628.A OD1 no hydrogen 3.174 N/A ILE 632.A N ALA 649.A O no hydrogen 2.802 N/A TYR 633.A N GLU 672.A O no hydrogen 2.743 N/A TYR 633.A OH TYR 854.A OH no hydrogen 2.827 N/A PHE 634.A N ASP 647.A O no hydrogen 2.907 N/A SER 635.A N ASN 670.A O no hydrogen 2.867 N/A ASN 637.A ND2 TYR 687.A OH no hydrogen 3.115 N/A THR 638.A OG1 ARG 838.A O no hydrogen 2.892 N/A TYR 639.A N ARG 646.A O no hydrogen 2.830 N/A LEU 640.A N HIS 660.A O no hydrogen 2.856 N/A TRP 641.A N GLU 644.A O no hydrogen 2.895 N/A GLU 644.A N TRP 641.A O no hydrogen 2.827 N/A ARG 645.A N ASP 845.A OD2 no hydrogen 2.901 N/A ARG 645.A NH1 ALA 841.A O no hydrogen 3.256 N/A ARG 646.A N TYR 639.A O no hydrogen 3.114 N/A ARG 646.A NH1 ARG 645.A O no hydrogen 2.811 N/A ARG 646.A NH1 ASP 845.A OD1 no hydrogen 2.813 N/A ARG 646.A NH1 ASP 845.A OD2 no hydrogen 3.557 N/A ARG 646.A NH2 ASP 845.A OD1 no hydrogen 3.393 N/A THR 648.A OG1 ASP 647.A OD1 no hydrogen 2.872 N/A ALA 649.A N ILE 632.A O no hydrogen 2.787 N/A LEU 651.A N HIS 630.A O no hydrogen 2.988 N/A PHE 652.A N THR 655.A OG1 no hydrogen 2.904 N/A GLN 654.A N SER 622.A O no hydrogen 2.698 N/A GLN 654.A NE2 GLN 320.A OE1 no hydrogen 3.664 N/A THR 655.A N PHE 652.A O no hydrogen 2.907 N/A THR 655.A OG1 PHE 652.A O no hydrogen 2.794 N/A SER 656.A OG ALA 510.A O no hydrogen 2.843 N/A LEU 657.A N LEU 620.A O no hydrogen 2.623 N/A THR 658.A OG1 CYS 508.A O no hydrogen 3.258 N/A LEU 659.A N TRP 618.A O no hydrogen 2.872 N/A HIS 660.A N LEU 640.A O no hydrogen 3.037 N/A HIS 660.A NE2.A SER 615.A OG no hydrogen 3.004 N/A MET 661.A N VAL 616.A O no hydrogen 2.861 N/A ASP 664.A N ASN 637.A OD1 no hydrogen 3.139 N/A GLY 667.A N VAL 689.A O no hydrogen 2.771 N/A PHE 669.A N TYR 687.A O no hydrogen 2.828 N/A ASN 670.A N SER 635.A OG no hydrogen 3.183 N/A VAL 671.A N GLN 685.A O no hydrogen 2.800 N/A GLU 672.A N TYR 633.A O no hydrogen 3.095 N/A CYS 673.A N MET 683.A O no hydrogen 3.067 N/A CYS 673.A SG HIS 630.A ND1 no hydrogen 3.849 N/A CYS 673.A SG THR 675.A OG1 no hydrogen 2.935 N/A CYS 673.A SG HIS 678.A ND1 no hydrogen 3.410 N/A LEU 674.A N GLY 631.A O no hydrogen 2.838 N/A THR 676.A N GLY 958.A O no hydrogen 2.852 N/A ASP 677.A N ASN 959.A OD1 no hydrogen 2.998 N/A HIS 678.A NE2 ALA 627.A O no hydrogen 2.941 N/A TYR 679.A N THR 675.A O no hydrogen 3.049 N/A THR 680.A N THR 676.A O no hydrogen 3.136 N/A THR 680.A OG1 THR 676.A O no hydrogen 3.233 N/A GLY 681.A N ASP 677.A O no hydrogen 2.878 N/A GLY 682.A N TYR 679.A O no hydrogen 3.024 N/A MET 683.A N HIS 678.A O no hydrogen 2.888 N/A LYS 684.A N GLY 682.A O no hydrogen 2.976 N/A LYS 684.A NZ ASP 372.A OD2 no hydrogen 3.204 N/A GLN 685.A N VAL 671.A O no hydrogen 2.745 N/A TYR 687.A N PHE 669.A O no hydrogen 3.037 N/A TYR 687.A OH SER 635.A O no hydrogen 2.823 N/A THR 688.A N LEU 608.A O no hydrogen 2.920 N/A VAL 689.A N GLY 667.A O no hydrogen 2.711 N/A ASN 690.A N MET 610.A O no hydrogen 2.994 N/A GLN 691.A NE2 ARG 693.A O no hydrogen 2.661 N/A CYS 692.A SG ASN 690.A O no hydrogen 3.916 N/A THR 700.A OG1 SER 699.A O no hydrogen 2.993 N/A THR 700.A OG1 THR 700.A O no hydrogen 2.300 N/A ARG 706.A N LYS 793.A O no hydrogen 2.986 N/A ARG 706.A NE ASP 792.A OD2 no hydrogen 2.840 N/A ARG 706.A NH1 TYR 708.A OH no hydrogen 3.567 N/A ARG 706.A NH2 ASP 789.A OD2 no hydrogen 3.224 N/A TYR 708.A N LYS 795.A O no hydrogen 2.887 N/A TYR 708.A OH HIS 787.A O no hydrogen 2.754 N/A ILE 710.A N ILE 797.A O no hydrogen 2.961 N/A ALA 711.A N ARG 759.A O no hydrogen 2.819 N/A ALA 712.A N LYS 799.A O no hydrogen 3.052 N/A VAL 713.A N VAL 757.A O no hydrogen 2.991 N/A VAL 715.A N LYS 755.A O no hydrogen 3.049 N/A TRP 717.A N TYR 753.A O no hydrogen 2.898 N/A TRP 717.A NE1 GLY 933.A O no hydrogen 2.890 N/A TYR 719.A N SER 751.A O no hydrogen 2.874 N/A TYR 719.A OH GLU 895.A OE1 no hydrogen 2.560 N/A SER 720.A N ASP 718.A OD1 no hydrogen 2.855 N/A SER 720.A OG GLN 722.A O no hydrogen 2.747 N/A GLN 722.A N ASN 938.A OD1 no hydrogen 3.195 N/A ARG 723.A NE GLU 726.A OE1 no hydrogen 2.963 N/A ARG 723.A NH1 ASP 743.A OD1 no hydrogen 3.361 N/A ARG 723.A NH2 GLU 726.A OE1 no hydrogen 3.214 N/A ARG 723.A NH2 GLU 726.A OE2 no hydrogen 3.144 N/A ARG 723.A NH2 ASP 743.A OD1 no hydrogen 3.426 N/A LYS 727.A N ARG 723.A O no hydrogen 3.022 N/A GLU 728.A N GLU 724.A O no hydrogen 2.959 N/A LEU 729.A N TRP 725.A O no hydrogen 2.831 N/A HIS 730.A N GLU 726.A O no hydrogen 2.948 N/A HIS 731.A N LYS 727.A O no hydrogen 2.833 N/A LEU 732.A N GLU 728.A O no hydrogen 2.868 N/A GLN 733.A N LEU 729.A O no hydrogen 3.000 N/A GLN 733.A NE2 ILE 164.A O no hydrogen 2.820 N/A GLU 734.A N HIS 731.A O no hydrogen 3.087 N/A GLN 735.A N HIS 730.A O no hydrogen 2.900 N/A GLN 735.A NE2 ASP 165.A OD2 no hydrogen 2.758 N/A ASN 739.A N ASP 743.A OD2 no hydrogen 2.789 N/A ASN 739.A ND2 GLU 726.A OE2 no hydrogen 2.775 N/A PHE 741.A N ASN 739.A OD1 no hydrogen 2.918 N/A LEU 742.A N ASN 739.A OD1 no hydrogen 3.143 N/A ASP 743.A N ASN 739.A O no hydrogen 3.022 N/A LYS 744.A NZ TYR 748.A O no hydrogen 3.289 N/A LYS 744.A NZ TYR 908.A O no hydrogen 2.743 N/A LYS 744.A NZ ASP 910.A OD1 no hydrogen 3.534 N/A TYR 748.A N LYS 744.A O no hydrogen 2.823 N/A SER 751.A OG ASP 718.A OD1 no hydrogen 2.908 N/A TYR 753.A N TRP 717.A O no hydrogen 3.008 N/A TYR 753.A OH GLY 750.A O no hydrogen 3.174 N/A TYR 753.A OH ASN 926.A OD1 no hydrogen 2.953 N/A LYS 754.A N ASN 904.A OD1 no hydrogen 2.794 N/A LYS 754.A NZ GLU 714.A OE1 no hydrogen 3.240 N/A LYS 754.A NZ ASP 903.A OD2 no hydrogen 3.542 N/A LYS 755.A N VAL 715.A O no hydrogen 3.007 N/A LYS 755.A NZ TYR 864.A O no hydrogen 2.708 N/A LYS 755.A NZ GLU 895.A OE1 no hydrogen 2.675 N/A LYS 755.A NZ GLU 895.A OE2 no hydrogen 3.529 N/A VAL 756.A N SER 865.A O no hydrogen 2.946 N/A VAL 757.A N VAL 713.A O no hydrogen 3.053 N/A TYR 758.A OH SER 807.A O no hydrogen 2.706 N/A ARG 759.A N ALA 711.A O no hydrogen 2.778 N/A ARG 759.A NH1 TYR 758.A O no hydrogen 2.703 N/A ARG 759.A NH1 ILE 781.A O no hydrogen 3.439 N/A TYR 761.A N TYR 709.A O no hydrogen 2.817 N/A THR 762.A N VAL 768.A O no hydrogen 2.985 N/A THR 762.A OG1 VAL 768.A O no hydrogen 3.249 N/A THR 765.A N ASP 763.A OD1 no hydrogen 3.083 N/A THR 765.A OG1 ASP 763.A OD1 no hydrogen 2.747 N/A PHE 766.A N ASP 763.A O no hydrogen 3.233 N/A ARG 767.A N THR 765.A OG1 no hydrogen 3.265 N/A VAL 770.A N GLN 760.A O no hydrogen 2.751 N/A ARG 772.A NH2 LEU 782.A O no hydrogen 2.837 N/A GLU 776.A N LYS 773.A O no hydrogen 2.966 N/A GLU 777.A N ALA 774.A O no hydrogen 3.074 N/A LEU 779.A N GLU 776.A O no hydrogen 3.256 N/A GLY 780.A N GLU 777.A O no hydrogen 3.459 N/A ILE 781.A N ASN 932.A O no hydrogen 3.049 N/A LEU 782.A N LEU 779.A O no hydrogen 2.896 N/A GLY 783.A N ILE 868.A O no hydrogen 2.835 N/A LEU 786.A N PRO 870.A O no hydrogen 3.161 N/A HIS 787.A N TYR 708.A OH no hydrogen 3.097 N/A HIS 787.A NE2 GLU 885.A OE2 no hydrogen 3.115 N/A ALA 788.A N ILE 872.A O no hydrogen 2.923 N/A ASP 789.A N ASP 792.A OD2 no hydrogen 2.782 N/A VAL 790.A N CYS 874.A O no hydrogen 2.946 N/A GLY 791.A N ILE 835.A O no hydrogen 2.877 N/A ASP 792.A N ASP 789.A O no hydrogen 2.959 N/A LYS 793.A N GLY 704.A O no hydrogen 2.877 N/A VAL 794.A N TRP 833.A O no hydrogen 2.938 N/A LYS 795.A N ARG 706.A O no hydrogen 2.826 N/A ILE 796.A N TYR 831.A O no hydrogen 2.745 N/A ILE 797.A N TYR 708.A O no hydrogen 2.873 N/A PHE 798.A N LEU 829.A O no hydrogen 2.933 N/A LYS 799.A N ILE 710.A O no hydrogen 2.895 N/A ASN 800.A N GLU 827.A O no hydrogen 3.090 N/A MET 801.A N ALA 712.A O no hydrogen 2.987 N/A THR 803.A N GLU 714.A OE2 no hydrogen 2.983 N/A THR 803.A OG1 GLU 714.A OE2 no hydrogen 2.888 N/A TYR 806.A N THR 823.A O no hydrogen 3.172 N/A TYR 806.A OH TYR 900.A OH no hydrogen 2.953 N/A SER 807.A N SER 855.A OG no hydrogen 3.159 N/A SER 807.A OG THR 856.A OG1 no hydrogen 2.731 N/A HIS 809.A N TYR 854.A O no hydrogen 2.888 N/A HIS 811.A N ALA 852.A O no hydrogen 2.947 N/A GLY 812.A N ASP 647.A OD2 no hydrogen 2.921 N/A GLN 814.A N LYS 834.A O no hydrogen 2.977 N/A GLN 814.A NE2 ASP 664.A OD2 no hydrogen 3.015 N/A THR 815.A OG1 SER 817.A O no hydrogen 2.788 N/A SER 817.A OG THR 819.A O no hydrogen 3.158 N/A SER 818.A OG THR 668.A O no hydrogen 3.074 N/A THR 819.A N SER 817.A OG no hydrogen 2.695 N/A THR 823.A N TYR 806.A O no hydrogen 2.801 N/A THR 823.A OG1 TYR 831.A OH no hydrogen 2.613 N/A LEU 824.A N GLU 827.A OE2 no hydrogen 3.078 N/A GLY 826.A N ASN 800.A O no hydrogen 2.866 N/A GLU 827.A N LEU 824.A O no hydrogen 3.121 N/A LEU 829.A N PHE 798.A O no hydrogen 3.040 N/A TYR 831.A N ILE 796.A O no hydrogen 2.873 N/A TYR 831.A OH THR 821.A O no hydrogen 2.804 N/A TYR 831.A OH THR 823.A OG1 no hydrogen 2.613 N/A TRP 833.A N VAL 794.A O no hydrogen 2.951 N/A LYS 834.A N GLN 814.A O no hydrogen 2.776 N/A ILE 835.A N ASP 792.A O no hydrogen 3.005 N/A ARG 838.A NE ASP 664.A OD2 no hydrogen 2.922 N/A ARG 838.A NH2 GLY 636.A O no hydrogen 2.862 N/A ARG 838.A NH2 ASP 664.A OD1 no hydrogen 2.929 N/A SER 839.A N PRO 836.A O no hydrogen 2.676 N/A SER 839.A OG GLY 812.A O no hydrogen 2.441 N/A GLY 840.A N GLU 837.A O no hydrogen 3.114 N/A GLY 842.A N ASP 845.A OD2 no hydrogen 2.770 N/A GLU 844.A N GLY 643.A O no hydrogen 3.021 N/A ASP 845.A N GLY 842.A O no hydrogen 3.169 N/A SER 846.A OG CYS 848.A O no hydrogen 3.569 N/A SER 846.A OG THR 995.A OG1 no hydrogen 3.096 N/A ILE 849.A N VAL 873.A O no hydrogen 2.879 N/A TRP 851.A N LEU 871.A O no hydrogen 2.833 N/A TRP 851.A NE1 SER 839.A O no hydrogen 2.974 N/A TYR 853.A N GLY 869.A O no hydrogen 2.766 N/A TYR 853.A OH PRO 784.A O no hydrogen 2.480 N/A TYR 854.A N HIS 809.A O no hydrogen 2.978 N/A TYR 854.A OH TYR 633.A OH no hydrogen 2.827 N/A SER 855.A OG ASP 862.A OD2 no hydrogen 2.633 N/A THR 856.A N SER 807.A OG no hydrogen 2.979 N/A THR 856.A OG1 SER 807.A OG no hydrogen 2.731 N/A ASP 858.A N ASP 862.A OD2 no hydrogen 2.882 N/A GLN 859.A NE2 GLU 672.A OE2 no hydrogen 2.948 N/A LYS 861.A N ASP 858.A OD1 no hydrogen 3.044 N/A LYS 861.A NZ GLU 897.A O no hydrogen 2.698 N/A ASP 862.A N ASP 858.A O no hydrogen 2.822 N/A TYR 864.A N VAL 860.A O no hydrogen 3.108 N/A SER 865.A N LYS 861.A O no hydrogen 2.763 N/A SER 865.A OG LYS 861.A O no hydrogen 2.544 N/A SER 865.A OG SER 898.A OG no hydrogen 3.430 N/A GLY 866.A N LEU 863.A O no hydrogen 2.754 N/A LEU 867.A N ASP 862.A O no hydrogen 3.273 N/A GLY 869.A N TYR 853.A O no hydrogen 2.919 N/A LEU 871.A N TRP 851.A O no hydrogen 2.783 N/A ILE 872.A N LEU 786.A O no hydrogen 2.715 N/A VAL 873.A N ILE 849.A O no hydrogen 2.842 N/A CYS 874.A N ALA 788.A O no hydrogen 2.849 N/A ARG 875.A N ALA 847.A O no hydrogen 2.947 N/A ARG 875.A NH1 GLY 842.A O no hydrogen 3.049 N/A ARG 875.A NH2 ASP 845.A O no hydrogen 3.398 N/A ARG 876.A NH1 ARG 876.A O no hydrogen 2.665 N/A ARG 882.A NH1 ASP 948.A OD1 no hydrogen 2.770 N/A LEU 884.A N GLU 949.A O no hydrogen 2.903 N/A PHE 886.A N ASN 951.A O no hydrogen 3.086 N/A ALA 887.A N HIS 778.A NE2 no hydrogen 3.208 N/A LEU 888.A N TYR 953.A O no hydrogen 2.785 N/A LEU 889.A N ASN 932.A OD1 no hydrogen 2.655 N/A PHE 890.A N MET 955.A O no hydrogen 2.910 N/A LEU 891.A N ALA 930.A O no hydrogen 3.404 N/A VAL 892.A N ASP 962.A OD1 no hydrogen 3.050 N/A PHE 893.A N MET 928.A O no hydrogen 2.853 N/A GLU 895.A N ASN 926.A O no hydrogen 2.815 N/A ASN 896.A N ASP 894.A OD1 no hydrogen 2.931 N/A ASN 896.A ND2 ASP 894.A OD1 no hydrogen 2.926 N/A ASN 896.A ND2 ILE 923.A O no hydrogen 2.929 N/A GLU 897.A N ASP 894.A O no hydrogen 2.864 N/A SER 898.A N GLU 895.A O no hydrogen 3.349 N/A SER 898.A OG SER 865.A OG no hydrogen 3.430 N/A TRP 899.A N SER 865.A OG no hydrogen 3.060 N/A TRP 899.A NE1 ASP 862.A OD1 no hydrogen 2.865 N/A TYR 900.A N SER 898.A OG no hydrogen 2.917 N/A TYR 900.A OH GLU 714.A OE2 no hydrogen 2.698 N/A TYR 900.A OH TYR 806.A OH no hydrogen 2.953 N/A LEU 901.A N SER 898.A O no hydrogen 3.450 N/A ASN 904.A N TYR 900.A O no hydrogen 2.832 N/A ASN 904.A ND2 LYS 754.A O no hydrogen 3.343 N/A ILE 905.A N LEU 901.A O no hydrogen 2.867 N/A LYS 906.A N ASP 902.A O no hydrogen 3.040 N/A THR 907.A N ASP 903.A O no hydrogen 2.663 N/A THR 907.A OG1 ASP 903.A O no hydrogen 3.094 N/A TYR 908.A N ASN 904.A O no hydrogen 3.113 N/A TYR 908.A OH GLU 716.A OE1 no hydrogen 2.634 N/A SER 909.A N ILE 905.A O no hydrogen 3.044 N/A SER 909.A OG PHE 747.A O no hydrogen 2.518 N/A HIS 911.A N SER 909.A OG no hydrogen 3.198 N/A GLU 913.A N GLU 913.A OE1 no hydrogen 3.403 N/A LYS 914.A N HIS 911.A O no hydrogen 3.018 N/A VAL 915.A N PRO 912.A O no hydrogen 3.248 N/A LYS 917.A NZ ASP 902.A OD1 no hydrogen 2.353 N/A ASP 918.A N ASN 916.A OD1 no hydrogen 2.848 N/A ASP 919.A N ASN 916.A O no hydrogen 3.026 N/A PHE 922.A N ASP 919.A OD2 no hydrogen 3.113 N/A ILE 923.A N ASP 919.A O no hydrogen 2.985 N/A GLU 924.A N GLU 920.A O no hydrogen 3.074 N/A SER 925.A N GLU 921.A O no hydrogen 3.235 N/A SER 925.A OG PHE 922.A O no hydrogen 2.740 N/A ASN 926.A N ILE 923.A O no hydrogen 3.328 N/A ASN 926.A ND2 ASN 896.A OD1 no hydrogen 2.915 N/A LYS 927.A N GLU 924.A O no hydrogen 3.014 N/A MET 928.A N PHE 893.A O no hydrogen 2.735 N/A HIS 929.A ND1 LYS 927.A O no hydrogen 3.145 N/A ALA 930.A N LEU 891.A O no hydrogen 3.214 N/A ILE 931.A N ARG 934.A O no hydrogen 3.020 N/A ASN 932.A N LEU 889.A O no hydrogen 2.961 N/A ASN 932.A ND2 HIS 778.A O no hydrogen 2.671 N/A ASN 932.A ND2 ALA 887.A O no hydrogen 2.962 N/A ARG 934.A N ILE 931.A O no hydrogen 2.927 N/A ARG 934.A NE ASP 718.A O no hydrogen 2.999 N/A ARG 934.A NH1 ASN 938.A O no hydrogen 3.282 N/A MET 935.A N TYR 719.A O no hydrogen 3.029 N/A PHE 936.A N GLY 1019.A O no hydrogen 2.972 N/A GLY 937.A N GLU 1021.A O no hydrogen 2.973 N/A ASN 938.A N MET 935.A O no hydrogen 2.981 N/A ASN 938.A ND2 GLN 722.A O no hydrogen 2.839 N/A ASN 938.A ND2 MET 935.A O no hydrogen 2.976 N/A MET 944.A N THR 1025.A O no hydrogen 2.991 N/A HIS 945.A N ASP 948.A OD2 no hydrogen 2.742 N/A VAL 946.A N LEU 1027.A O no hydrogen 2.984 N/A GLY 947.A N PRO 1000.A O no hydrogen 3.327 N/A ASP 948.A N HIS 945.A O no hydrogen 2.974 N/A GLU 949.A N ARG 882.A O no hydrogen 2.911 N/A VAL 950.A N MET 998.A O no hydrogen 2.866 N/A ASN 951.A N LEU 884.A O no hydrogen 3.143 N/A TRP 952.A N LEU 996.A O no hydrogen 2.746 N/A TYR 953.A N PHE 886.A O no hydrogen 2.735 N/A TYR 953.A OH GLU 885.A OE2 no hydrogen 2.615 N/A TYR 953.A OH ASN 951.A OD1 no hydrogen 3.135 N/A LEU 954.A N GLN 994.A O no hydrogen 2.841 N/A MET 955.A N LEU 888.A O no hydrogen 2.884 N/A GLY 956.A N THR 992.A O no hydrogen 2.818 N/A ASN 959.A N ASP 962.A OD2 no hydrogen 2.900 N/A ASN 959.A ND2 ASP 677.A OD2 no hydrogen 2.951 N/A ASP 962.A N ASN 959.A O no hydrogen 2.744 N/A LEU 963.A N ILE 961.A O no hydrogen 2.772 N/A HIS 964.A N ILE 988.A O no hydrogen 2.928 N/A HIS 964.A NE2 ASP 962.A OD1 no hydrogen 2.561 N/A THR 965.A OG1 PRO 299.A O no hydrogen 2.937 N/A VAL 966.A N PHE 986.A O no hydrogen 2.908 N/A HIS 967.A N HIS 1009.A O no hydrogen 2.768 N/A HIS 967.A ND1 ASP 984.A O no hydrogen 2.613 N/A HIS 969.A N LEU 1007.A O no hydrogen 2.909 N/A HIS 969.A ND1 GLU 112.A OE2 no hydrogen 2.911 N/A HIS 971.A ND1 TYR 1024.A OH no hydrogen 2.757 N/A SER 972.A OG GLU 145.A O no hydrogen 2.945 N/A PHE 973.A N SER 983.A O no hydrogen 2.908 N/A GLN 974.A N GLU 997.A O no hydrogen 2.763 N/A TYR 975.A N TYR 981.A O no hydrogen 2.986 N/A LYS 976.A NZ ARG 642.A O no hydrogen 3.092 N/A LYS 976.A NZ GLU 844.A OE1 no hydrogen 3.102 N/A HIS 977.A N GLU 844.A O no hydrogen 2.987 N/A ARG 978.A NH1 GLU 150.A OE1 no hydrogen 2.955 N/A GLY 979.A N LYS 976.A O no hydrogen 3.002 N/A TYR 981.A N TYR 975.A O no hydrogen 3.198 N/A SER 982.A OG SER 147.A O no hydrogen 3.247 N/A SER 983.A N PHE 973.A O no hydrogen 3.130 N/A SER 983.A OG VAL 985.A O no hydrogen 3.221 N/A VAL 985.A N SER 983.A OG no hydrogen 3.291 N/A PHE 986.A N VAL 966.A O no hydrogen 2.868 N/A ILE 988.A N HIS 964.A O no hydrogen 2.694 N/A PHE 989.A N THR 992.A OG1 no hydrogen 3.050 N/A GLY 991.A N GLY 956.A O no hydrogen 2.966 N/A THR 992.A N PHE 989.A O no hydrogen 2.934 N/A THR 992.A OG1 PHE 989.A O no hydrogen 2.982 N/A GLN 994.A N LEU 954.A O no hydrogen 2.879 N/A THR 995.A OG1 SER 846.A OG no hydrogen 3.096 N/A LEU 996.A N TRP 952.A O no hydrogen 2.928 N/A GLU 997.A N GLN 974.A O no hydrogen 2.798 N/A MET 998.A N VAL 950.A O no hydrogen 2.734 N/A ARG 1001.A N HIS 971.A NE2 no hydrogen 3.343 N/A ARG 1001.A NE GLU 145.A OE1 no hydrogen 3.415 N/A THR 1002.A N HIS 971.A NE2 no hydrogen 3.129 N/A GLY 1004.A N VAL 1026.A O no hydrogen 2.907 N/A TRP 1006.A N TYR 1024.A O no hydrogen 2.889 N/A TRP 1006.A NE1 THR 1002.A O no hydrogen 3.048 N/A LEU 1007.A N TYR 116.A OH no hydrogen 3.030 N/A LEU 1008.A N THR 1022.A O no hydrogen 2.772 N/A HIS 1009.A N HIS 967.A O no hydrogen 3.074 N/A HIS 1009.A ND1 CYS 1010.A O no hydrogen 2.787 N/A CYS 1010.A N MET 1020.A O no hydrogen 3.414 N/A CYS 1010.A SG HIS 964.A ND1 no hydrogen 3.919 N/A CYS 1010.A SG THR 965.A O no hydrogen 4.036 N/A CYS 1010.A SG HIS 1015.A ND1 no hydrogen 3.780 N/A HIS 1011.A N THR 965.A O no hydrogen 2.911 N/A HIS 1011.A N THR 965.A OG1 no hydrogen 3.190 N/A HIS 1011.A NE2 HIS 103.A NE2 no hydrogen 3.252 N/A THR 1013.A N GLY 270.A O no hydrogen 3.164 N/A THR 1013.A OG1 GLY 270.A O no hydrogen 3.358 N/A ASP 1014.A N ASN 271.A OD1 no hydrogen 3.008 N/A HIS 1015.A NE2 GLU 272.A OE1 no hydrogen 2.988 N/A ILE 1016.A N VAL 1012.A O no hydrogen 2.979 N/A HIS 1017.A N THR 1013.A O no hydrogen 3.162 N/A ALA 1018.A N ASP 1014.A O no hydrogen 3.001 N/A GLY 1019.A N ILE 1016.A O no hydrogen 2.801 N/A MET 1020.A N HIS 1015.A O no hydrogen 3.091 N/A THR 1022.A N LEU 1008.A O no hydrogen 2.778 N/A THR 1022.A OG1 LEU 939.A O no hydrogen 2.848 N/A TYR 1024.A N TRP 1006.A O no hydrogen 2.864 N/A TYR 1024.A OH HIS 969.A O no hydrogen 2.503 N/A TYR 1024.A OH HIS 971.A ND1 no hydrogen 2.757 N/A THR 1025.A N LEU 942.A O no hydrogen 2.897 N/A VAL 1026.A N GLY 1004.A O no hydrogen 2.799 N/A LEU 1027.A N MET 944.A O no hydrogen 2.853 N/A