Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6wb6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG SER 1.A O no hydrogen 2.261 N/A TYR 3.A N ALA 28.A O no hydrogen 3.017 N/A TYR 3.A OH LYS 283.A O no hydrogen 2.391 N/A LYS 4.A N ASP 50.A OD2 no hydrogen 2.519 N/A LYS 4.A NZ SER 2.A O no hydrogen 3.051 N/A LYS 4.A NZ ASP 50.A OD2 no hydrogen 2.992 N/A LEU 5.A N GLU 30.A O no hydrogen 2.730 N/A CYS 6.A N PHE 51.A O no hydrogen 3.038 N/A CYS 6.A SG VAL 32.A O no hydrogen 3.594 N/A VAL 7.A N VAL 32.A O no hydrogen 2.939 N/A ALA 9.A N ALA 34.A O no hydrogen 2.643 N/A TYR 11.A N PRO 8.A O no hydrogen 2.786 N/A MET 12.A N ALA 9.A O no hydrogen 3.119 N/A CYS 15.A N TYR 11.A O no hydrogen 2.957 N/A GLU 16.A N MET 12.A O no hydrogen 3.013 N/A GLN 17.A N LYS 13.A O no hydrogen 3.151 N/A MET 18.A N ASP 14.A O no hydrogen 3.021 N/A LEU 19.A N CYS 15.A O no hydrogen 2.959 N/A GLU 20.A N GLN 17.A O no hydrogen 3.033 N/A VAL 21.A N MET 18.A O no hydrogen 2.952 N/A THR 23.A OG1 SER 25.A O no hydrogen 2.693 N/A SER 25.A N GLN 293.A OE1 no hydrogen 2.725 N/A SER 25.A OG GLU 289.A OE1 no hydrogen 3.377 N/A LYS 26.A NZ THR 23.A O no hydrogen 3.150 N/A VAL 27.A N SER 25.A OG no hydrogen 3.260 N/A GLU 30.A N TYR 3.A O no hydrogen 3.029 N/A VAL 32.A N LEU 5.A O no hydrogen 2.855 N/A ALA 34.A N VAL 7.A O no hydrogen 2.835 N/A ARG 35.A N GLU 39.A OE2 no hydrogen 2.644 N/A ARG 35.A NE ASP 36.A OD2 no hydrogen 2.542 N/A ARG 37.A N ASP 607.A O no hydrogen 2.748 N/A ARG 37.A NH1 ASP 58.A OD2 no hydrogen 2.948 N/A VAL 38.A N LEU 608.A O no hydrogen 3.341 N/A GLU 39.A N ASP 36.A OD1 no hydrogen 2.865 N/A CYS 40.A N ASP 36.A O no hydrogen 2.928 N/A CYS 40.A SG ASP 36.A O no hydrogen 3.659 N/A LEU 41.A N ARG 37.A O no hydrogen 3.112 N/A LEU 41.A N VAL 38.A O no hydrogen 3.222 N/A PHE 43.A N GLU 39.A O no hydrogen 3.043 N/A VAL 44.A N CYS 40.A O no hydrogen 2.805 N/A GLN 45.A N LEU 41.A O no hydrogen 2.923 N/A GLN 45.A NE2 ASP 69.A OD1 no hydrogen 3.391 N/A GLN 46.A N SER 42.A O no hydrogen 2.819 N/A ARG 47.A N VAL 44.A O no hydrogen 3.055 N/A ARG 47.A NE ASP 279.A OD2 no hydrogen 2.935 N/A ARG 47.A NH1 GLN 45.A O no hydrogen 2.900 N/A ARG 47.A NH1 ASP 69.A OD1 no hydrogen 2.853 N/A ARG 47.A NH1 ASP 69.A OD2 no hydrogen 3.465 N/A ARG 47.A NH2 ASP 69.A OD1 no hydrogen 3.377 N/A ARG 47.A NH2 ASP 69.A OD2 no hydrogen 2.762 N/A ARG 47.A NH2 ASP 279.A OD2 no hydrogen 3.034 N/A ALA 49.A N PHE 43.A O no hydrogen 3.092 N/A ASP 50.A N LYS 4.A O no hydrogen 2.705 N/A PHE 51.A N LYS 4.A O no hydrogen 3.076 N/A VAL 52.A N ILE 275.A O no hydrogen 2.925 N/A VAL 54.A N GLY 273.A O no hydrogen 2.808 N/A ASP 55.A N ASP 58.A OD2 no hydrogen 2.784 N/A GLU 57.A N GLU 57.A OE1 no hydrogen 2.710 N/A ASP 58.A N ASP 55.A O no hydrogen 2.775 N/A MET 59.A N ASP 55.A O no hydrogen 3.078 N/A TYR 60.A N PRO 56.A O no hydrogen 3.055 N/A TYR 60.A OH GLU 341.A OE2 no hydrogen 2.261 N/A VAL 61.A N GLU 57.A O no hydrogen 3.148 N/A ALA 62.A N ASP 58.A O no hydrogen 2.762 N/A SER 63.A N MET 59.A O no hydrogen 2.683 N/A SER 63.A OG TYR 60.A O no hydrogen 2.849 N/A LYS 64.A N VAL 61.A O no hydrogen 3.297 N/A ILE 65.A N ALA 62.A O no hydrogen 3.147 N/A GLN 68.A N ILE 65.A O no hydrogen 2.975 N/A GLN 68.A NE2 SER 63.A O no hydrogen 3.572 N/A ASP 69.A N GLN 45.A OE1 no hydrogen 3.007 N/A PHE 70.A N GLN 68.A OE1 no hydrogen 2.987 N/A VAL 71.A N GLY 276.A O no hydrogen 2.697 N/A VAL 72.A N ILE 325.A O no hydrogen 2.815 N/A PHE 73.A N LEU 274.A O no hydrogen 3.341 N/A GLN 74.A NE2 ALA 320.A O no hydrogen 3.629 N/A GLN 74.A NE2 ASP 321.A OD1 no hydrogen 2.696 N/A GLU 75.A N ALA 320.A O no hydrogen 3.087 N/A TYR 76.A N GLN 272.A O no hydrogen 2.694 N/A TYR 76.A OH LEU 310.A O no hydrogen 2.715 N/A ARG 77.A N HIS 318.A O no hydrogen 2.706 N/A ARG 77.A NE GLU 75.A OE2 no hydrogen 2.809 N/A ARG 77.A NH1 PRO 82.A O no hydrogen 2.908 N/A ARG 77.A NH2 GLU 75.A OE2 no hydrogen 2.672 N/A GLU 81.A N THR 78.A OG1 no hydrogen 2.871 N/A ALA 84.A N GLU 81.A O no hydrogen 3.272 N/A TYR 88.A N ARG 269.A O no hydrogen 3.297 N/A ALA 90.A N ALA 267.A O no hydrogen 2.810 N/A VAL 91.A N THR 219.A O no hydrogen 2.779 N/A VAL 93.A N ALA 217.A O no hydrogen 2.789 N/A VAL 94.A N ARG 248.A O no hydrogen 2.918 N/A LYS 96.A N GLU 246.A O no hydrogen 2.783 N/A LEU 98.A N HIS 95.A O no hydrogen 2.995 N/A ASN 101.A N GLN 105.A OE1 no hydrogen 2.842 N/A ASP 104.A N ASN 102.A OD1 no hydrogen 2.798 N/A GLN 105.A N ASN 102.A O no hydrogen 2.943 N/A LEU 106.A N LEU 103.A O no hydrogen 3.084 N/A LYS 107.A N ASP 104.A O no hydrogen 3.253 N/A GLY 108.A N PHE 156.A O no hydrogen 2.620 N/A LEU 109.A N LEU 106.A O no hydrogen 3.180 N/A ARG 110.A N GLU 215.A OE1 no hydrogen 2.788 N/A ARG 110.A NE ASN 213.A O no hydrogen 2.742 N/A ARG 110.A NH2 ASN 213.A O no hydrogen 2.904 N/A SER 111.A N LYS 159.A O no hydrogen 2.810 N/A SER 111.A OG HIS 113.A NE2 no hydrogen 2.876 N/A SER 111.A OG LYS 159.A O no hydrogen 3.414 N/A SER 111.A OG SER 160.A OG no hydrogen 2.584 N/A CYS 112.A N VAL 216.A O no hydrogen 2.701 N/A HIS 113.A N CYS 161.A O no hydrogen 3.267 N/A HIS 113.A ND1 GLY 121.A O no hydrogen 2.656 N/A HIS 113.A NE2 SER 111.A OG no hydrogen 2.876 N/A VAL 116.A N VAL 163.A O no hydrogen 2.844 N/A ARG 118.A NH1 TYR 195.A OH no hydrogen 3.071 N/A TYR 122.A OH GLU 149.A OE1 no hydrogen 2.801 N/A LYS 123.A N ARG 118.A O no hydrogen 2.779 N/A LYS 123.A NZ ASN 119.A OD1 no hydrogen 3.543 N/A ILE 124.A N ASN 119.A O no hydrogen 2.836 N/A LEU 126.A N TYR 122.A O no hydrogen 2.845 N/A THR 127.A N LYS 123.A O no hydrogen 2.894 N/A THR 127.A OG1 LYS 123.A O no hydrogen 2.734 N/A MET 128.A N ILE 124.A O no hydrogen 2.966 N/A LEU 129.A N PRO 125.A O no hydrogen 2.916 N/A MET 130.A N LEU 126.A O no hydrogen 3.143 N/A LYS 131.A N MET 128.A O no hydrogen 3.121 N/A LYS 131.A NZ GLU 338.A OE1 no hydrogen 2.408 N/A ARG 132.A N LEU 129.A O no hydrogen 2.683 N/A ARG 132.A NE ASP 104.A OD1 no hydrogen 2.639 N/A ARG 132.A NH2 ASN 102.A OD1 no hydrogen 3.277 N/A ARG 132.A NH2 ASP 104.A OD1 no hydrogen 3.461 N/A PHE 135.A N ARG 132.A O no hydrogen 2.884 N/A ASN 139.A ND2 ALA 346.A O no hydrogen 3.001 N/A ASP 140.A N ASN 148.A OD1 no hydrogen 3.021 N/A HIS 141.A NE2 PRO 347.A O no hydrogen 2.977 N/A SER 142.A N ASP 140.A OD1 no hydrogen 2.990 N/A SER 142.A OG ASP 140.A OD1 no hydrogen 2.335 N/A LYS 146.A NZ ASN 117.A OD1 no hydrogen 3.004 N/A LYS 146.A NZ GLU 149.A OE1 no hydrogen 2.867 N/A GLU 147.A N SER 144.A OG no hydrogen 3.161 N/A ASN 148.A N SER 144.A O no hydrogen 2.879 N/A ASN 148.A ND2 ASP 140.A O no hydrogen 2.711 N/A ASN 148.A ND2 SER 144.A O no hydrogen 2.960 N/A GLU 149.A N PRO 145.A O no hydrogen 3.188 N/A LEU 150.A N LYS 146.A O no hydrogen 3.196 N/A LYS 151.A N GLU 147.A O no hydrogen 2.832 N/A ALA 152.A N ASN 148.A O no hydrogen 2.858 N/A LEU 153.A N GLU 149.A O no hydrogen 2.803 N/A SER 154.A N LEU 150.A O no hydrogen 2.932 N/A SER 154.A OG LEU 150.A O no hydrogen 3.056 N/A SER 154.A OG LYS 151.A O no hydrogen 3.001 N/A THR 155.A N LYS 151.A O no hydrogen 2.899 N/A THR 155.A OG1 LYS 151.A O no hydrogen 3.235 N/A PHE 156.A N ALA 152.A O no hydrogen 2.965 N/A PHE 156.A N LEU 153.A O no hydrogen 3.090 N/A PHE 157.A N LEU 153.A O no hydrogen 2.949 N/A ALA 158.A N LEU 109.A O no hydrogen 2.895 N/A SER 160.A N HIS 182.A O no hydrogen 2.868 N/A SER 160.A OG SER 111.A OG no hydrogen 2.584 N/A CYS 161.A N SER 111.A O no hydrogen 3.057 N/A CYS 161.A SG TYR 199.A O no hydrogen 3.700 N/A ILE 162.A N LEU 183.A O no hydrogen 2.679 N/A GLY 164.A N CYS 193.A O no hydrogen 2.957 N/A LYS 165.A NZ ASP 194.A OD2 no hydrogen 2.856 N/A TRP 166.A N ASN 173.A OD1 no hydrogen 2.710 N/A TRP 166.A NE1 ILE 162.A O no hydrogen 2.702 N/A SER 167.A N ASN 173.A OD1 no hydrogen 3.208 N/A SER 167.A OG ASP 169.A O no hydrogen 3.353 N/A ASP 169.A N SER 167.A OG no hydrogen 2.745 N/A THR 172.A N ASP 169.A OD2 no hydrogen 3.096 N/A THR 172.A OG1 ASP 169.A OD2 no hydrogen 2.712 N/A ASN 173.A N ASP 169.A O no hydrogen 2.921 N/A SER 174.A N PRO 170.A O no hydrogen 2.986 N/A SER 174.A OG PRO 170.A O no hydrogen 3.461 N/A ALA 175.A N LYS 171.A O no hydrogen 3.073 N/A TRP 176.A N THR 172.A O no hydrogen 2.855 N/A LYS 177.A N ASN 173.A O no hydrogen 2.868 N/A LYS 177.A NZ GLY 164.A O no hydrogen 2.956 N/A LYS 177.A NZ CYS 193.A O no hydrogen 3.211 N/A SER 178.A N SER 174.A O no hydrogen 2.990 N/A SER 178.A OG SER 174.A O no hydrogen 3.261 N/A GLN 179.A N ALA 175.A O no hydrogen 2.985 N/A TYR 180.A N TRP 176.A O no hydrogen 2.957 N/A TYR 180.A OH GLU 147.A OE2 no hydrogen 2.597 N/A SER 181.A N SER 178.A O no hydrogen 3.320 N/A LEU 183.A N TYR 180.A O no hydrogen 2.879 N/A CYS 184.A N SER 181.A O no hydrogen 2.773 N/A SER 185.A N HIS 182.A O no hydrogen 3.424 N/A SER 185.A OG SER 181.A O no hydrogen 3.231 N/A MET 186.A N SER 160.A O no hydrogen 2.930 N/A CYS 187.A N CYS 184.A O no hydrogen 3.153 N/A CYS 187.A SG CYS 184.A O no hydrogen 3.484 N/A GLU 188.A N ASP 197.A OD1 no hydrogen 2.796 N/A HIS 189.A N ASP 197.A OD2 no hydrogen 2.844 N/A ARG 192.A N HIS 189.A O no hydrogen 3.265 N/A ARG 192.A NH1 TYR 195.A O no hydrogen 2.832 N/A CYS 193.A N HIS 189.A O no hydrogen 2.970 N/A CYS 193.A SG ILE 162.A O no hydrogen 3.567 N/A TYR 195.A N ASP 194.A OD1 no hydrogen 2.896 N/A ASN 198.A N GLU 188.A OE1 no hydrogen 2.769 N/A TYR 199.A N ASP 197.A OD1 no hydrogen 2.815 N/A SER 200.A N ASP 197.A O no hydrogen 2.894 N/A SER 200.A OG ASP 197.A O no hydrogen 2.883 N/A GLY 201.A N THR 114.A O no hydrogen 2.657 N/A TYR 202.A OH TYR 88.A OH no hydrogen 3.377 N/A ALA 205.A N GLY 201.A O no hydrogen 2.948 N/A ARG 207.A N GLU 203.A O no hydrogen 3.026 N/A ARG 207.A NE ASN 198.A O no hydrogen 2.800 N/A ARG 207.A NH2 ASN 198.A O no hydrogen 2.954 N/A CYS 208.A N GLY 204.A O no hydrogen 2.645 N/A LEU 209.A N ALA 205.A O no hydrogen 2.966 N/A ALA 210.A N LEU 206.A O no hydrogen 2.672 N/A HIS 211.A N ARG 207.A O no hydrogen 2.745 N/A HIS 211.A NE2 GLU 242.A OE2 no hydrogen 2.602 N/A ASN 212.A N ARG 207.A O no hydrogen 3.206 N/A ASN 212.A N CYS 208.A O no hydrogen 3.047 N/A ASN 212.A ND2 MET 186.A O no hydrogen 2.812 N/A GLY 214.A N CYS 208.A O no hydrogen 3.045 N/A GLU 215.A N ARG 110.A O no hydrogen 2.628 N/A VAL 216.A N ARG 110.A O no hydrogen 3.198 N/A ALA 217.A N VAL 93.A O no hydrogen 2.782 N/A PHE 218.A N CYS 112.A O no hydrogen 2.846 N/A THR 219.A N VAL 91.A O no hydrogen 3.133 N/A THR 219.A OG1 TYR 202.A O no hydrogen 2.925 N/A LYS 220.A N THR 219.A OG1 no hydrogen 2.715 N/A VAL 221.A N GLU 89.A O no hydrogen 3.260 N/A THR 224.A N LYS 220.A O no hydrogen 3.073 N/A THR 224.A OG1 LYS 220.A O no hydrogen 2.884 N/A ARG 225.A N VAL 221.A O no hydrogen 2.667 N/A ARG 225.A NE PRO 231.A O no hydrogen 2.658 N/A ARG 225.A NH2 PRO 231.A O no hydrogen 2.759 N/A LYS 226.A N ILE 222.A O no hydrogen 3.026 N/A LYS 226.A NZ GLU 80.A OE1 no hydrogen 3.499 N/A LYS 226.A NZ GLU 80.A OE2 no hydrogen 2.546 N/A PHE 227.A N PHE 223.A O no hydrogen 3.048 N/A PHE 228.A N ARG 225.A O no hydrogen 3.119 N/A GLY 229.A N LYS 226.A O no hydrogen 2.871 N/A LEU 230.A N ARG 225.A O no hydrogen 2.768 N/A VAL 232.A N THR 235.A O no hydrogen 2.946 N/A THR 234.A N GLU 80.A O no hydrogen 2.759 N/A THR 234.A OG1 GLU 80.A O no hydrogen 3.553 N/A THR 235.A N VAL 232.A O no hydrogen 2.794 N/A THR 235.A OG1 GLU 80.A OE2 no hydrogen 2.341 N/A SER 238.A N GLY 229.A O no hydrogen 2.782 N/A SER 240.A OG PHE 227.A O no hydrogen 2.756 N/A SER 240.A OG GLU 242.A O no hydrogen 3.417 N/A GLU 242.A N SER 240.A OG no hydrogen 2.844 N/A GLU 245.A N ASN 243.A OD1 no hydrogen 3.138 N/A GLU 246.A N ASN 243.A O no hydrogen 3.204 N/A PHE 247.A N PRO 244.A O no hydrogen 2.935 N/A ARG 248.A N VAL 94.A O no hydrogen 2.944 N/A ARG 248.A NH1 GLU 245.A O no hydrogen 2.570 N/A ARG 248.A NH1 PHE 247.A O no hydrogen 2.983 N/A TYR 249.A N ALA 257.A O no hydrogen 2.959 N/A LEU 250.A N ILE 92.A O no hydrogen 2.807 N/A CYS 251.A N SER 255.A O no hydrogen 2.852 N/A CYS 251.A SG SER 255.A O no hydrogen 3.789 N/A GLY 254.A N CYS 251.A O no hydrogen 2.738 N/A LYS 256.A NZ LYS 96.A O no hydrogen 2.605 N/A LYS 256.A NZ LEU 98.A O no hydrogen 2.852 N/A ALA 257.A N TYR 249.A O no hydrogen 3.049 N/A GLY 261.A N PRO 258.A O no hydrogen 3.199 N/A SER 265.A OG ALA 90.A O no hydrogen 2.638 N/A ALA 268.A N ALA 334.A O no hydrogen 2.932 N/A ARG 269.A N TYR 88.A O no hydrogen 2.836 N/A ARG 269.A NH1 TYR 88.A OH no hydrogen 2.569 N/A TRP 271.A NE1 ALA 84.A O no hydrogen 2.754 N/A GLN 272.A NE2 ASP 55.A OD1 no hydrogen 2.953 N/A GLY 273.A N VAL 54.A O no hydrogen 3.072 N/A LEU 274.A N GLN 74.A O no hydrogen 2.943 N/A ILE 275.A N VAL 52.A O no hydrogen 2.924 N/A GLY 276.A N VAL 71.A O no hydrogen 2.990 N/A HIS 277.A N ASP 50.A O no hydrogen 3.397 N/A HIS 277.A NE2 ASP 50.A OD1 no hydrogen 2.770 N/A VAL 280.A N HIS 277.A O no hydrogen 2.901 N/A LEU 281.A N ASN 278.A O no hydrogen 3.081 N/A ARG 288.A N LEU 284.A O no hydrogen 3.246 N/A ARG 288.A NE PHE 73.A O no hydrogen 3.225 N/A ARG 288.A NH2 PHE 73.A O no hydrogen 3.141 N/A GLU 289.A N ALA 285.A O no hydrogen 3.173 N/A LYS 290.A N PRO 286.A O no hydrogen 3.093 N/A LYS 290.A NZ THR 23.A OG1 no hydrogen 2.743 N/A VAL 291.A N LEU 287.A O no hydrogen 2.913 N/A LYS 292.A N ARG 288.A O no hydrogen 2.980 N/A GLN 293.A N GLU 289.A O no hydrogen 3.060 N/A LEU 294.A N LYS 290.A O no hydrogen 2.986 N/A ALA 295.A N VAL 291.A O no hydrogen 2.838 N/A ASP 296.A N LYS 292.A O no hydrogen 3.014 N/A SER 297.A N GLN 293.A O no hydrogen 3.091 N/A SER 297.A OG GLN 293.A O no hydrogen 3.541 N/A SER 297.A OG LEU 294.A O no hydrogen 3.403 N/A GLY 298.A N LEU 294.A O no hydrogen 2.944 N/A PHE 306.A N PRO 303.A O no hydrogen 2.922 N/A THR 307.A N GLU 304.A O no hydrogen 3.205 N/A THR 307.A OG1 GLU 304.A O no hydrogen 3.439 N/A LYS 308.A N GLU 304.A O no hydrogen 2.804 N/A LYS 308.A NZ THR 307.A OG1 no hydrogen 3.272 N/A VAL 309.A N TRP 305.A O no hydrogen 3.113 N/A LEU 310.A N TRP 305.A O no hydrogen 2.780 N/A GLY 311.A N THR 307.A O no hydrogen 3.256 N/A LEU 312.A N PHE 306.A O no hydrogen 2.928 N/A SER 313.A N ILE 316.A O no hydrogen 2.946 N/A SER 313.A OG ILE 316.A O no hydrogen 3.554 N/A ILE 316.A N SER 313.A OG no hydrogen 2.855 N/A HIS 317.A ND1 SER 313.A O no hydrogen 3.167 N/A HIS 318.A N ARG 77.A O no hydrogen 2.834 N/A ALA 320.A N GLU 75.A O no hydrogen 2.868 N/A ASN 322.A ND2 VAL 72.A O no hydrogen 2.942 N/A ILE 325.A N VAL 72.A O no hydrogen 3.191 N/A LYS 326.A NZ GLN 68.A OE1 no hydrogen 2.563 N/A LYS 326.A NZ PHE 70.A O no hydrogen 2.838 N/A TYR 330.A N LYS 326.A O no hydrogen 2.857 N/A TYR 330.A OH TRP 271.A O no hydrogen 2.575 N/A LEU 331.A N PRO 327.A O no hydrogen 2.772 N/A ASN 332.A N ILE 328.A O no hydrogen 2.667 N/A LYS 333.A N ASP 329.A O no hydrogen 3.170 N/A ALA 334.A N LEU 331.A O no hydrogen 3.072 N/A ASN 335.A N ASN 332.A O no hydrogen 2.758 N/A ASN 335.A ND2 TRP 266.A O no hydrogen 2.764 N/A TYR 336.A N LEU 331.A O no hydrogen 3.026 N/A TYR 336.A OH ASN 119.A OD1 no hydrogen 2.516 N/A THR 337.A OG1 ASN 332.A OD1 no hydrogen 2.803 N/A ILE 340.A N TYR 336.A O no hydrogen 2.965 N/A GLU 341.A N THR 337.A O no hydrogen 2.803 N/A ARG 342.A N VAL 339.A O no hydrogen 3.143 N/A ARG 342.A NH1 GLU 149.A OE2 no hydrogen 2.624 N/A ARG 342.A NH2 GLU 149.A OE2 no hydrogen 3.311 N/A ARG 342.A NH2 ASP 375.A OD2 no hydrogen 2.908 N/A HIS 344.A N GLU 348.A OE2 no hydrogen 2.772 N/A HIS 344.A NE2 GLU 149.A OE2 no hydrogen 2.479 N/A VAL 351.A N ILE 379.A O no hydrogen 2.853 N/A ARG 352.A N ASP 401.A OD2 no hydrogen 2.791 N/A ARG 352.A NE ASP 401.A OD2 no hydrogen 3.037 N/A ARG 352.A NH1 ASN 398.A O no hydrogen 2.878 N/A ARG 352.A NH2 ASN 398.A O no hydrogen 2.947 N/A ARG 352.A NH2 ASN 398.A OD1 no hydrogen 2.664 N/A ARG 352.A NH2 ASP 401.A OD1 no hydrogen 2.946 N/A LEU 353.A N ASP 381.A O no hydrogen 2.934 N/A CYS 354.A N LEU 402.A O no hydrogen 2.790 N/A CYS 354.A SG VAL 355.A O no hydrogen 3.972 N/A CYS 354.A SG VAL 383.A O no hydrogen 3.650 N/A VAL 355.A N VAL 383.A O no hydrogen 2.750 N/A ALA 360.A N SER 357.A OG no hydrogen 3.062 N/A LEU 361.A N SER 357.A O no hydrogen 2.745 N/A SER 362.A N ASN 358.A O no hydrogen 2.916 N/A SER 362.A OG ASN 358.A O no hydrogen 3.208 N/A SER 362.A OG VAL 359.A O no hydrogen 2.531 N/A LYS 363.A N VAL 359.A O no hydrogen 2.799 N/A LYS 363.A NZ ILE 611.A O no hydrogen 2.582 N/A LYS 363.A NZ VAL 621.A O no hydrogen 2.853 N/A CYS 364.A N ALA 360.A O no hydrogen 2.756 N/A CYS 364.A SG ASP 381.A O no hydrogen 3.952 N/A ARG 365.A N LEU 361.A O no hydrogen 2.978 N/A ALA 366.A N SER 362.A O no hydrogen 3.009 N/A MET 367.A N LYS 363.A O no hydrogen 2.863 N/A SER 368.A N CYS 364.A O no hydrogen 2.780 N/A SER 368.A OG LEU 380.A O no hydrogen 2.610 N/A VAL 369.A N ARG 365.A O no hydrogen 3.128 N/A PHE 370.A N ALA 366.A O no hydrogen 3.095 N/A ALA 371.A N MET 367.A O no hydrogen 2.882 N/A PHE 372.A N SER 368.A O no hydrogen 2.973 N/A SER 373.A N VAL 369.A O no hydrogen 3.041 N/A SER 373.A OG VAL 369.A O no hydrogen 3.198 N/A SER 373.A OG PHE 370.A O no hydrogen 2.639 N/A ARG 374.A N PHE 370.A O no hydrogen 2.990 N/A ARG 374.A N ALA 371.A O no hydrogen 3.063 N/A ARG 374.A NH1 ASP 55.A OD2 no hydrogen 3.429 N/A ARG 374.A NH2 ASP 55.A OD2 no hydrogen 3.005 N/A ARG 374.A NH2 ASP 58.A OD1 no hydrogen 3.033 N/A ASP 375.A N PHE 372.A O no hydrogen 3.084 N/A ILE 376.A N ALA 371.A O no hydrogen 3.093 N/A ARG 377.A NE ARG 342.A O no hydrogen 3.042 N/A ARG 377.A NH1 PHE 372.A O no hydrogen 2.998 N/A ARG 377.A NH1 ILE 376.A O no hydrogen 2.979 N/A ARG 377.A NH2 ILE 340.A O no hydrogen 2.817 N/A ARG 377.A NH2 ARG 342.A O no hydrogen 2.880 N/A ILE 379.A N LEU 349.A O no hydrogen 3.294 N/A ASP 381.A N VAL 351.A O no hydrogen 2.717 N/A CYS 382.A N ASP 381.A OD1 no hydrogen 2.490 N/A VAL 383.A N LEU 353.A O no hydrogen 3.019 N/A GLN 384.A NE2 ASN 358.A OD1 no hydrogen 3.120 N/A GLU 385.A N VAL 355.A O no hydrogen 2.984 N/A ALA 390.A N SER 387.A OG no hydrogen 2.896 N/A CYS 391.A N SER 387.A O no hydrogen 2.940 N/A CYS 391.A SG VAL 355.A O no hydrogen 3.478 N/A LEU 392.A N GLU 388.A O no hydrogen 2.818 N/A LYS 393.A N ASP 389.A O no hydrogen 2.893 N/A LYS 393.A NZ ASP 397.A OD1 no hydrogen 3.195 N/A SER 394.A N ALA 390.A O no hydrogen 3.016 N/A SER 394.A OG SER 400.A OG no hydrogen 2.668 N/A VAL 395.A N CYS 391.A O no hydrogen 2.929 N/A GLN 396.A N LEU 392.A O no hydrogen 3.066 N/A ASP 397.A N LYS 393.A O no hydrogen 2.873 N/A ASN 398.A N VAL 395.A O no hydrogen 3.003 N/A GLY 399.A N SER 394.A O no hydrogen 2.705 N/A SER 400.A N SER 394.A O no hydrogen 3.215 N/A SER 400.A OG SER 394.A OG no hydrogen 2.668 N/A ASP 401.A N ARG 352.A O no hydrogen 2.890 N/A LEU 402.A N ARG 352.A O no hydrogen 3.154 N/A ALA 403.A N VAL 580.A O no hydrogen 3.122 N/A VAL 405.A N THR 578.A O no hydrogen 2.741 N/A ARG 409.A N ASP 406.A O no hydrogen 3.099 N/A ARG 409.A NE GLU 388.A OE2 no hydrogen 2.659 N/A ARG 409.A NH2 GLU 388.A OE1 no hydrogen 3.563 N/A ALA 413.A N ARG 409.A O no hydrogen 2.811 N/A ALA 414.A N VAL 410.A O no hydrogen 3.115 N/A LYS 415.A N ALA 411.A O no hydrogen 2.923 N/A LYS 416.A N ALA 412.A O no hydrogen 2.968 N/A TYR 417.A N ALA 413.A O no hydrogen 2.997 N/A TYR 417.A OH ASP 389.A OD1 no hydrogen 2.541 N/A TYR 417.A OH ASP 389.A OD2 no hydrogen 3.264 N/A HIS 420.A N ALA 581.A O no hydrogen 2.939 N/A HIS 420.A NE2 ASP 588.A OD1 no hydrogen 2.719 N/A HIS 420.A NE2 ASP 588.A OD2 no hydrogen 2.993 N/A VAL 422.A N TRP 579.A O no hydrogen 2.822 N/A HIS 424.A N ALA 631.A O no hydrogen 2.723 N/A HIS 424.A ND1 THR 633.A OG1 no hydrogen 3.117 N/A GLU 425.A N ARG 577.A O no hydrogen 2.941 N/A VAL 426.A N GLY 629.A O no hydrogen 3.052 N/A TYR 427.A N THR 432.A O no hydrogen 2.715 N/A TYR 427.A OH GLU 425.A OE1 no hydrogen 2.467 N/A LYS 431.A N GLY 428.A O no hydrogen 3.238 N/A THR 432.A N TYR 427.A O no hydrogen 2.918 N/A THR 432.A OG1 LEU 430.A O no hydrogen 3.200 N/A TYR 435.A N SER 537.A OG no hydrogen 2.880 N/A ALA 436.A N ALA 572.A O no hydrogen 2.723 N/A VAL 437.A N VAL 535.A O no hydrogen 2.979 N/A VAL 439.A N ALA 533.A O no hydrogen 2.807 N/A VAL 440.A N GLU 549.A O no hydrogen 2.869 N/A LYS 441.A NZ GLU 526.A O no hydrogen 2.797 N/A LYS 441.A NZ ASP 528.A OD1 no hydrogen 2.826 N/A LYS 442.A N GLN 547.A O no hydrogen 2.767 N/A THR 444.A N LYS 441.A O no hydrogen 3.397 N/A THR 444.A OG1 LYS 441.A O no hydrogen 3.056 N/A ASN 447.A N ASP 451.A OD2 no hydrogen 3.189 N/A ASP 451.A N LYS 448.A O no hydrogen 3.116 N/A LEU 452.A N ILE 449.A O no hydrogen 3.048 N/A ARG 453.A N ASP 450.A O no hydrogen 3.098 N/A ARG 453.A NH2.B ALA 480.A O no hydrogen 3.093 N/A GLY 454.A N PHE 493.A O no hydrogen 2.826 N/A LYS 455.A N LEU 452.A O no hydrogen 3.074 N/A LYS 456.A N ASP 531.A OD2 no hydrogen 2.807 N/A SER 457.A N GLY 497.A O no hydrogen 3.195 N/A SER 457.A OG HIS 459.A NE2 no hydrogen 3.081 N/A SER 457.A OG SER 498.A OG no hydrogen 2.708 N/A CYS 458.A N VAL 532.A O no hydrogen 2.816 N/A HIS 459.A N CYS 499.A O no hydrogen 2.864 N/A HIS 459.A ND1 GLY 467.A O no hydrogen 2.434 N/A HIS 459.A NE2 SER 457.A OG no hydrogen 3.081 N/A SER 460.A N PHE 534.A O no hydrogen 2.917 N/A SER 461.A OG SER 463.A OG no hydrogen 3.049 N/A SER 461.A OG PRO 501.A O no hydrogen 3.401 N/A TYR 462.A N PRO 501.A O no hydrogen 2.911 N/A SER 463.A N SER 461.A OG no hydrogen 3.294 N/A SER 463.A OG SER 461.A OG no hydrogen 3.049 N/A THR 464.A N SER 461.A O no hydrogen 2.610 N/A THR 464.A OG1 SER 461.A O no hydrogen 2.873 N/A GLY 467.A N THR 464.A OG1 no hydrogen 2.737 N/A LEU 468.A N THR 464.A O no hydrogen 3.148 N/A ALA 470.A N PHE 465.A O no hydrogen 2.906 N/A LEU 472.A N LEU 468.A O no hydrogen 3.002 N/A PHE 473.A N HIS 469.A O no hydrogen 2.700 N/A TYR 474.A N ALA 470.A O no hydrogen 2.761 N/A TYR 474.A OH LEU 553.A O no hydrogen 2.603 N/A LEU 475.A N PRO 471.A O no hydrogen 3.004 N/A ILE 476.A N LEU 472.A O no hydrogen 2.971 N/A ASN 477.A N PHE 473.A O no hydrogen 2.745 N/A LYS 478.A N TYR 474.A O no hydrogen 3.205 N/A ARG 479.A N ILE 476.A O no hydrogen 2.845 N/A ALA 480.A N LEU 475.A O no hydrogen 3.010 N/A CYS 486.A SG SER 483.A O no hydrogen 2.909 N/A LYS 488.A NZ GLU 492.A OE2 no hydrogen 2.808 N/A ASN 489.A N HIS 485.A O no hydrogen 2.764 N/A ASN 489.A ND2 ASP 484.A O no hydrogen 2.508 N/A LEU 490.A N CYS 486.A O no hydrogen 2.579 N/A GLY 491.A N VAL 487.A O no hydrogen 2.992 N/A GLU 492.A N LYS 488.A O no hydrogen 2.863 N/A PHE 493.A N ASN 489.A O no hydrogen 2.885 N/A PHE 494.A N LEU 490.A O no hydrogen 3.056 N/A GLY 496.A N LYS 455.A O no hydrogen 2.945 N/A GLY 497.A N PHE 494.A O no hydrogen 2.791 N/A SER 498.A N LYS 510.A O no hydrogen 2.963 N/A SER 498.A OG SER 457.A OG no hydrogen 2.708 N/A CYS 499.A N SER 457.A O no hydrogen 3.016 N/A CYS 499.A SG SER 519.A O no hydrogen 3.522 N/A LEU 500.A N LEU 511.A O no hydrogen 2.710 N/A VAL 503.A N LEU 500.A O no hydrogen 3.018 N/A LYS 510.A NZ GLU 492.A OE1 no hydrogen 3.338 N/A LEU 511.A N VAL 508.A O no hydrogen 3.055 N/A LYS 512.A N SER 509.A O no hydrogen 3.431 N/A LYS 513.A N LYS 510.A O no hydrogen 3.278 N/A LYS 513.A NZ GLY 496.A O no hydrogen 3.502 N/A GLN 514.A N SER 498.A O no hydrogen 3.003 N/A GLN 514.A NE2 ARG 529.A O no hydrogen 2.826 N/A CYS 515.A N LYS 512.A O no hydrogen 3.410 N/A CYS 515.A SG LYS 512.A O no hydrogen 3.784 N/A ASP 518.A N CYS 515.A O no hydrogen 3.053 N/A SER 520.A N ASP 518.A OD1 no hydrogen 3.093 N/A SER 520.A OG ASP 518.A OD1 no hydrogen 3.329 N/A LYS 523.A N SER 520.A OG no hydrogen 3.008 N/A LYS 523.A NZ GLU 526.A OE2 no hydrogen 3.444 N/A CYS 524.A N SER 520.A O no hydrogen 2.812 N/A LEU 525.A N ALA 521.A O no hydrogen 2.822 N/A GLU 526.A N TRP 522.A O no hydrogen 3.008 N/A GLU 527.A N LYS 523.A O no hydrogen 2.951 N/A ASP 528.A N LEU 525.A O no hydrogen 2.921 N/A ARG 529.A N CYS 524.A O no hydrogen 3.064 N/A ARG 529.A NE GLU 527.A OE1 no hydrogen 2.667 N/A ARG 529.A NH1 GLN 514.A O no hydrogen 2.804 N/A ARG 529.A NH1 ASP 518.A O no hydrogen 3.010 N/A ARG 529.A NH2 ASP 518.A O no hydrogen 2.833 N/A ARG 529.A NH2 GLU 527.A OE1 no hydrogen 3.018 N/A GLY 530.A N CYS 524.A O no hydrogen 3.324 N/A ASP 531.A N LYS 456.A O no hydrogen 2.791 N/A ALA 533.A N VAL 439.A O no hydrogen 2.756 N/A PHE 534.A N CYS 458.A O no hydrogen 2.826 N/A VAL 535.A N VAL 437.A O no hydrogen 3.290 N/A SER 537.A N TYR 435.A O no hydrogen 2.630 N/A SER 537.A OG TYR 435.A O no hydrogen 3.228 N/A ALA 538.A N SER 536.A OG no hydrogen 2.807 N/A ASP 539.A N SER 536.A O no hydrogen 3.013 N/A LEU 540.A N SER 537.A O no hydrogen 3.158 N/A HIS 542.A N ASP 539.A O no hydrogen 3.290 N/A PHE 543.A N LEU 540.A O no hydrogen 3.012 N/A ASN 546.A N ASP 544.A OD1 no hydrogen 2.822 N/A GLN 547.A N ASP 544.A O no hydrogen 2.950 N/A TYR 548.A N ASP 544.A O no hydrogen 3.019 N/A GLU 549.A N VAL 440.A O no hydrogen 2.769 N/A LEU 550.A N ASP 561.A O no hydrogen 2.749 N/A LEU 551.A N ALA 438.A O no hydrogen 2.727 N/A CYS 552.A N GLY 559.A O no hydrogen 2.770 N/A CYS 552.A SG LEU 550.A O no hydrogen 4.015 N/A CYS 552.A SG GLY 559.A O no hydrogen 3.621 N/A LEU 553.A N LEU 551.A O no hydrogen 2.822 N/A ASN 554.A ND2 THR 568.A O no hydrogen 2.668 N/A ARG 555.A N CYS 552.A O no hydrogen 2.879 N/A ARG 555.A NE THR 568.A O no hydrogen 2.945 N/A ARG 555.A NH1 ASP 561.A OD2 no hydrogen 3.450 N/A ARG 555.A NH2 ASP 561.A OD2 no hydrogen 2.814 N/A ARG 555.A NH2 THR 568.A OG1 no hydrogen 3.115 N/A GLY 558.A N ARG 555.A O no hydrogen 2.919 N/A GLY 559.A N ASN 447.A O no hydrogen 2.678 N/A ARG 560.A NE TYR 446.A O no hydrogen 2.848 N/A ARG 560.A NH1 LYS 441.A O no hydrogen 2.838 N/A ARG 560.A NH1 GLU 549.A OE1 no hydrogen 3.181 N/A ARG 560.A NH2 THR 444.A OG1 no hydrogen 2.736 N/A ARG 560.A NH2 TYR 446.A O no hydrogen 2.896 N/A ASP 561.A N LEU 550.A O no hydrogen 2.847 N/A VAL 562.A N ASP 561.A OD1 no hydrogen 2.539 N/A SER 565.A N VAL 562.A O no hydrogen 3.052 N/A SER 565.A OG VAL 562.A O no hydrogen 2.998 N/A THR 568.A N SER 565.A O no hydrogen 2.752 N/A THR 568.A OG1 SER 565.A O no hydrogen 3.398 N/A CYS 569.A N PHE 566.A O no hydrogen 3.127 N/A ASN 570.A N ASN 554.A OD1 no hydrogen 2.873 N/A ASN 570.A ND2 PHE 566.A O no hydrogen 2.885 N/A VAL 571.A N ALA 436.A O no hydrogen 2.793 N/A ALA 572.A N ALA 436.A O no hydrogen 3.304 N/A ALA 574.A N ASN 434.A O no hydrogen 2.781 N/A SER 576.A OG GLU 425.A O no hydrogen 2.669 N/A SER 576.A OG ARG 577.A O no hydrogen 3.269 N/A ARG 577.A NE ASP 406.A OD1 no hydrogen 2.640 N/A ARG 577.A NH1 ASN 620.A O no hydrogen 3.250 N/A ARG 577.A NH1 ILE 622.A O no hydrogen 3.101 N/A ARG 577.A NH2 ASP 406.A OD2 no hydrogen 3.074 N/A THR 578.A N VAL 405.A O no hydrogen 2.891 N/A THR 578.A OG1 SER 576.A O no hydrogen 2.562 N/A TRP 579.A N PHE 423.A O no hydrogen 2.884 N/A VAL 580.A N ALA 403.A O no hydrogen 2.597 N/A ALA 581.A N HIS 420.A O no hydrogen 2.946 N/A SER 590.A N SER 587.A OG no hydrogen 2.938 N/A SER 590.A OG SER 587.A OG no hydrogen 3.383 N/A ILE 591.A N SER 587.A O no hydrogen 2.992 N/A ALA 592.A N ASP 588.A O no hydrogen 2.788 N/A HIS 593.A N VAL 589.A O no hydrogen 2.914 N/A THR 594.A OG1 PRO 378.A O no hydrogen 2.695 N/A LEU 596.A N ALA 592.A O no hydrogen 2.975 N/A SER 597.A N HIS 593.A O no hydrogen 2.770 N/A SER 597.A OG HIS 593.A O no hydrogen 2.925 N/A LEU 598.A N THR 594.A O no hydrogen 2.889 N/A ALA 599.A N PRO 595.A O no hydrogen 2.904 N/A GLN 600.A N LEU 596.A O no hydrogen 3.118 N/A MET 601.A N SER 597.A O no hydrogen 2.932 N/A LEU 602.A N LEU 598.A O no hydrogen 2.856 N/A ALA 603.A N GLN 600.A O no hydrogen 3.503 N/A ARG 605.A N LEU 602.A O no hydrogen 3.213 N/A ARG 605.A NE ASP 607.A OD1 no hydrogen 3.124 N/A ARG 605.A NE ASP 607.A OD2 no hydrogen 3.413 N/A ARG 605.A NH2 ASP 607.A OD2 no hydrogen 3.324 N/A LEU 608.A N ARG 605.A O no hydrogen 3.099 N/A ASN 610.A N ASP 36.A OD2 no hydrogen 2.894 N/A GLY 613.A N ASN 610.A O no hydrogen 3.238 N/A PHE 615.A N ASN 618.A O no hydrogen 2.759 N/A ASN 618.A N PHE 615.A O no hydrogen 2.845 N/A ASN 618.A ND2 PHE 615.A O no hydrogen 3.634 N/A ASN 618.A ND2 LEU 616.A O no hydrogen 2.475 N/A ASN 619.A ND2 GLU 614.A OE2 no hydrogen 3.434 N/A ASN 620.A N ASN 625.A OD1 no hydrogen 2.693 N/A PHE 623.A N VAL 621.A O no hydrogen 2.619 N/A ASN 624.A N GLU 425.A OE2 no hydrogen 2.804 N/A ASN 624.A ND2 GLU 425.A OE1 no hydrogen 2.891 N/A ASN 625.A N ASN 620.A OD1 no hydrogen 2.810 N/A ALA 627.A N ASN 624.A O no hydrogen 2.833 N/A LYS 628.A N VAL 426.A O no hydrogen 2.795 N/A ALA 631.A N HIS 424.A O no hydrogen 2.993 N/A THR 632.A OG1 ASP 169.A OD1 no hydrogen 2.806 N/A THR 633.A N VAL 422.A O no hydrogen 3.095 N/A THR 633.A OG1 HIS 424.A ND1 no hydrogen 3.117 N/A PHE 638.A N GLU 634.A O no hydrogen 2.877 N/A GLU 639.A N LYS 635.A O no hydrogen 2.698 N/A LYS 640.A N LEU 636.A O no hydrogen 2.807 N/A PHE 641.A N ASP 637.A O no hydrogen 2.856 N/A LYS 642.A N PHE 638.A O no hydrogen 2.909 N/A THR 643.A N GLU 639.A O no hydrogen 2.976 N/A THR 643.A OG1 GLU 639.A O no hydrogen 3.135 N/A ILE 644.A N LYS 640.A O no hydrogen 2.950 N/A HIS 645.A N PHE 641.A O no hydrogen 3.056 N/A ASP 646.A N LYS 642.A O no hydrogen 2.848 N/A VAL 647.A N THR 643.A O no hydrogen 2.907 N/A ILE 648.A N ILE 644.A O no hydrogen 3.001 N/A SER 649.A N HIS 645.A O no hydrogen 2.672 N/A SER 649.A OG HIS 645.A NE2 no hydrogen 3.312 N/A SER 649.A OG HIS 645.A O no hydrogen 3.522 N/A SER 650.A N ASP 646.A O no hydrogen 2.858 N/A SER 650.A OG ASP 646.A O no hydrogen 3.407 N/A CYS 651.A N VAL 647.A O no hydrogen 3.065 N/A CYS 651.A SG SER 483.A O no hydrogen 4.001 N/A CYS 651.A SG VAL 647.A O no hydrogen 3.142 N/A GLY 652.A N SER 649.A O no hydrogen 2.858 N/A LEU 653.A N ILE 648.A O no hydrogen 2.816 N/A