Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1koj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ARG 369.A O no hydrogen 3.113 N/A ASN 6.A N LEU 3.A O no hydrogen 3.065 N/A ASN 6.A ND2 SER 73.A OG no hydrogen 2.691 N/A GLN 8.A N ASN 6.A OD1 no hydrogen 2.735 N/A PHE 9.A N ASN 6.A OD1 no hydrogen 3.090 N/A GLN 10.A N ASN 6.A O no hydrogen 3.033 N/A LYS 11.A N PRO 7.A O no hydrogen 2.884 N/A LEU 12.A N GLN 8.A O no hydrogen 2.943 N/A GLN 13.A N PHE 9.A O no hydrogen 3.054 N/A GLN 13.A NE2 ASN 328.A O no hydrogen 3.570 N/A GLN 14.A N GLN 10.A O no hydrogen 2.942 N/A TRP 15.A N LYS 11.A O no hydrogen 3.035 N/A TRP 15.A NE1 GLU 62.A OE2 no hydrogen 3.182 N/A HIS 16.A N LEU 12.A O no hydrogen 2.939 N/A ARG 17.A N GLN 13.A O no hydrogen 2.619 N/A ARG 17.A NE GLN 14.A OE1 no hydrogen 3.276 N/A ARG 17.A NH2 GLN 14.A OE1 no hydrogen 2.805 N/A HIS 19.A N HIS 16.A O no hydrogen 3.139 N/A GLY 20.A N HIS 16.A O no hydrogen 2.778 N/A SER 21.A N HIS 19.A O no hydrogen 2.556 N/A GLU 22.A N HIS 19.A O no hydrogen 2.973 N/A LEU 25.A N ASN 470.A OD1 no hydrogen 2.800 N/A ARG 26.A NH1 GLU 443.A OE2 no hydrogen 3.310 N/A HIS 27.A N ASN 24.A OD1 no hydrogen 3.217 N/A LEU 28.A N ASN 24.A O no hydrogen 2.975 N/A PHE 29.A N LEU 25.A O no hydrogen 3.086 N/A ASP 30.A N ARG 26.A O no hydrogen 3.175 N/A THR 31.A OG1 HIS 27.A O no hydrogen 3.179 N/A THR 31.A OG1 ASP 30.A O no hydrogen 2.631 N/A ASP 32.A N PHE 29.A O no hydrogen 3.367 N/A GLU 34.A N ASP 32.A OD1 no hydrogen 3.042 N/A ARG 35.A N ASP 32.A O no hydrogen 3.334 N/A ARG 35.A NE SER 55.A O no hydrogen 2.967 N/A ARG 35.A NH1 VAL 59.A O no hydrogen 3.323 N/A ARG 35.A NH2 SER 55.A O no hydrogen 3.186 N/A ARG 35.A NH2 VAL 59.A O no hydrogen 2.852 N/A HIS 38.A N GLU 34.A O no hydrogen 2.773 N/A PHE 39.A N ARG 35.A O no hydrogen 2.749 N/A SER 40.A OG PHE 36.A O no hydrogen 2.554 N/A LEU 41.A N LEU 52.A O no hydrogen 2.958 N/A LEU 43.A N ILE 50.A O no hydrogen 2.835 N/A THR 45.A N GLY 48.A O no hydrogen 3.076 N/A THR 45.A OG1 GLY 48.A O no hydrogen 2.651 N/A HIS 47.A N THR 45.A OG1 no hydrogen 3.054 N/A HIS 49.A N THR 479.A OG1 no hydrogen 2.822 N/A ILE 50.A N LEU 43.A O no hydrogen 2.834 N/A LEU 51.A N VAL 477.A O no hydrogen 2.658 N/A LEU 52.A N LEU 41.A O no hydrogen 2.956 N/A ASP 53.A N SER 475.A O no hydrogen 2.898 N/A TYR 54.A N PHE 39.A O no hydrogen 3.119 N/A SER 55.A N ASP 53.A OD1 no hydrogen 2.958 N/A SER 55.A OG ASP 53.A OD1 no hydrogen 2.635 N/A LYS 56.A NZ THR 432.A OG1 no hydrogen 3.125 N/A ASN 57.A ND2 TYR 54.A O no hydrogen 3.024 N/A ASN 57.A ND2 ASN 474.A OD1 no hydrogen 2.602 N/A LEU 58.A N TYR 326.A OH no hydrogen 3.001 N/A VAL 59.A N ASN 57.A O no hydrogen 2.699 N/A THR 60.A OG1 GLU 61.A OE2 no hydrogen 3.383 N/A GLU 62.A N GLU 61.A OE2 no hydrogen 2.895 N/A MET 64.A N THR 60.A O no hydrogen 3.057 N/A HIS 65.A N GLU 61.A O no hydrogen 3.028 N/A MET 66.A N GLU 62.A O no hydrogen 2.918 N/A LEU 67.A N VAL 63.A O no hydrogen 2.861 N/A LEU 68.A N MET 64.A O no hydrogen 2.920 N/A ASP 69.A N HIS 65.A O no hydrogen 2.931 N/A LEU 70.A N MET 66.A O no hydrogen 3.038 N/A ALA 71.A N LEU 67.A O no hydrogen 3.223 N/A LYS 72.A N LEU 68.A O no hydrogen 3.311 N/A SER 73.A N ASP 69.A O no hydrogen 3.131 N/A SER 73.A OG GLN 8.A OE1 no hydrogen 3.141 N/A SER 73.A OG LEU 70.A O no hydrogen 3.324 N/A ARG 74.A N LEU 70.A O no hydrogen 3.070 N/A ARG 74.A NE VAL 503.A O no hydrogen 3.008 N/A ARG 74.A NH2 ASP 505.A OD1 no hydrogen 3.020 N/A GLY 75.A N LYS 72.A O no hydrogen 3.162 N/A VAL 76.A N ALA 71.A O no hydrogen 3.149 N/A ALA 79.A N GLY 75.A O no hydrogen 2.884 N/A ARG 80.A N VAL 76.A O no hydrogen 2.800 N/A ARG 80.A NH1 PHE 306.A O no hydrogen 3.062 N/A GLU 81.A N GLU 77.A O no hydrogen 3.087 N/A SER 82.A N ALA 78.A O no hydrogen 3.128 N/A SER 82.A OG ALA 78.A O no hydrogen 3.069 N/A SER 82.A OG GLU 87.A OE1 no hydrogen 3.298 N/A MET 83.A N ALA 79.A O no hydrogen 3.160 N/A PHE 84.A N ARG 80.A O no hydrogen 3.080 N/A ASN 85.A N GLU 81.A O no hydrogen 2.824 N/A GLY 86.A N MET 83.A O no hydrogen 3.275 N/A GLU 87.A N SER 82.A O no hydrogen 3.159 N/A LYS 88.A NZ ASP 94.A OD1 no hydrogen 3.077 N/A ILE 89.A N GLU 87.A O no hydrogen 2.802 N/A ASN 90.A N ARG 95.A O no hydrogen 3.122 N/A THR 92.A OG1 ASP 510.A OD2 no hydrogen 2.697 N/A GLU 93.A N ASN 90.A O no hydrogen 3.060 N/A ASP 94.A N SER 91.A O no hydrogen 2.780 N/A ARG 95.A N ASN 90.A O no hydrogen 3.158 N/A LEU 98.A N TRP 268.A O no hydrogen 3.050 N/A ALA 101.A N LEU 98.A O no hydrogen 2.928 N/A ARG 103.A NE ASP 303.A OD2 no hydrogen 2.786 N/A ARG 103.A NH1 GLU 494.A OE1 no hydrogen 2.814 N/A ARG 103.A NH2 ASP 303.A OD1 no hydrogen 3.022 N/A ARG 103.A NH2 ASP 303.A OD2 no hydrogen 3.546 N/A ARG 103.A NH2 GLU 494.A OE1 no hydrogen 2.831 N/A ASN 104.A N ALA 101.A O no hydrogen 3.090 N/A ASN 104.A ND2 THR 108.A O no hydrogen 2.773 N/A ARG 105.A N ARG 103.A O no hydrogen 2.835 N/A SER 106.A OG HIS 300.A NE2 no hydrogen 2.730 N/A ASN 107.A N ASN 104.A O no hydrogen 2.985 N/A ILE 110.A N ASP 116.A OD1 no hydrogen 2.571 N/A VAL 112.A N LYS 115.A O no hydrogen 2.949 N/A VAL 117.A N ILE 110.A O no hydrogen 3.338 N/A GLU 120.A N VAL 117.A O no hydrogen 3.008 N/A VAL 121.A N VAL 117.A O no hydrogen 2.921 N/A ASN 122.A N MET 118.A O no hydrogen 2.744 N/A ASN 122.A ND2 ASN 107.A OD1 no hydrogen 2.665 N/A LYS 123.A N PRO 119.A O no hydrogen 3.085 N/A VAL 124.A N GLU 120.A O no hydrogen 3.180 N/A LEU 125.A N VAL 121.A O no hydrogen 3.337 N/A ASP 126.A N ASN 122.A O no hydrogen 3.008 N/A LYS 127.A N LYS 123.A O no hydrogen 3.033 N/A LYS 127.A NZ GLN 260.A O no hydrogen 2.844 N/A LYS 127.A NZ MET 262.A O no hydrogen 3.215 N/A MET 128.A N VAL 124.A O no hydrogen 2.667 N/A LYS 129.A N LEU 125.A O no hydrogen 2.956 N/A ALA 130.A N ASP 126.A O no hydrogen 2.940 N/A PHE 131.A N LYS 127.A O no hydrogen 2.996 N/A CYS 132.A N MET 128.A O no hydrogen 3.007 N/A CYS 132.A SG MET 128.A O no hydrogen 3.336 N/A GLN 133.A N LYS 129.A O no hydrogen 2.965 N/A ARG 134.A N ALA 130.A O no hydrogen 3.328 N/A ARG 134.A NH1 ASP 139.A OD1 no hydrogen 2.854 N/A VAL 135.A N PHE 131.A O no hydrogen 3.079 N/A ARG 136.A N CYS 132.A O no hydrogen 2.849 N/A ARG 136.A NH1 LEU 285.A O no hydrogen 3.306 N/A SER 137.A N GLN 133.A O no hydrogen 3.051 N/A SER 137.A OG GLN 133.A O no hydrogen 2.836 N/A SER 137.A OG ARG 134.A O no hydrogen 3.338 N/A ASP 139.A N SER 137.A OG no hydrogen 3.154 N/A TRP 140.A N ARG 134.A O no hydrogen 2.731 N/A TRP 140.A NE1 LYS 240.A O no hydrogen 3.024 N/A LYS 141.A NZ GLY 138.A O no hydrogen 2.603 N/A GLY 142.A N LYS 146.A O no hydrogen 2.776 N/A TYR 143.A N HIS 241.A NE2 no hydrogen 3.190 N/A THR 144.A OG1 GLU 201.A OE2 no hydrogen 2.527 N/A GLY 145.A N GLY 142.A O no hydrogen 2.605 N/A LYS 146.A NZ GLU 201.A OE2 no hydrogen 3.293 N/A THR 149.A N SER 202.A O no hydrogen 2.981 N/A THR 149.A OG1 ASP 150.A OD1 no hydrogen 2.835 N/A THR 149.A OG1 SER 202.A O no hydrogen 3.277 N/A THR 149.A OG1 SER 202.A OG no hydrogen 2.838 N/A ASP 150.A N SER 202.A O no hydrogen 3.209 N/A VAL 151.A N ARG 179.A O no hydrogen 2.747 N/A ILE 152.A N LEU 204.A O no hydrogen 2.905 N/A ASN 153.A N TRP 181.A O no hydrogen 2.715 N/A ILE 154.A N ILE 206.A O no hydrogen 2.814 N/A GLY 155.A N VAL 183.A O no hydrogen 3.176 N/A SER 159.A N ILE 156.A O no hydrogen 3.132 N/A ASP 160.A N GLY 157.A O no hydrogen 2.926 N/A LEU 161.A N GLY 157.A O no hydrogen 3.044 N/A LEU 164.A N ASP 160.A O no hydrogen 3.188 N/A MET 165.A N LEU 161.A O no hydrogen 2.838 N/A VAL 166.A N GLY 162.A O no hydrogen 2.967 N/A THR 167.A N PRO 163.A O no hydrogen 3.042 N/A THR 167.A OG1 PRO 163.A O no hydrogen 2.718 N/A THR 167.A OG1 LEU 164.A O no hydrogen 3.149 N/A GLU 168.A N LEU 164.A O no hydrogen 3.122 N/A ALA 169.A N MET 165.A O no hydrogen 3.043 N/A LEU 170.A N VAL 166.A O no hydrogen 2.846 N/A LYS 171.A NZ THR 167.A O no hydrogen 3.373 N/A LYS 171.A NZ HIS 286.A NE2 no hydrogen 3.367 N/A TYR 173.A N LEU 170.A O no hydrogen 3.008 N/A SER 174.A N LYS 171.A O no hydrogen 3.026 N/A SER 174.A OG LYS 171.A O no hydrogen 2.686 N/A GLY 177.A N SER 174.A O no hydrogen 3.311 N/A ARG 179.A N THR 149.A O no hydrogen 3.010 N/A TRP 181.A N VAL 151.A O no hydrogen 2.713 N/A TRP 181.A NE1 ASP 150.A OD2 no hydrogen 2.681 N/A VAL 183.A N ASN 153.A O no hydrogen 2.864 N/A SER 184.A N HIS 190.A ND1 no hydrogen 3.090 N/A ASN 185.A N HIS 190.A ND1 no hydrogen 3.163 N/A ASP 187.A N ASN 185.A OD1 no hydrogen 3.114 N/A THR 189.A N ASP 187.A OD2 no hydrogen 3.193 N/A THR 189.A OG1 ASP 187.A OD2 no hydrogen 3.502 N/A HIS 190.A N ASP 187.A O no hydrogen 2.872 N/A ALA 192.A N GLY 188.A O no hydrogen 3.032 N/A LYS 193.A N THR 189.A O no hydrogen 3.056 N/A THR 194.A N ILE 191.A O no hydrogen 3.133 N/A THR 194.A OG1 HIS 190.A O no hydrogen 2.965 N/A LEU 195.A N ILE 191.A O no hydrogen 2.895 N/A ALA 196.A N ALA 192.A O no hydrogen 3.173 N/A CYS 197.A N THR 194.A O no hydrogen 3.454 N/A CYS 197.A SG LYS 193.A O no hydrogen 3.387 N/A LEU 198.A N LEU 195.A O no hydrogen 3.161 N/A GLU 201.A N ASN 199.A OD1 no hydrogen 2.656 N/A SER 202.A N ASN 199.A O no hydrogen 2.976 N/A SER 202.A OG THR 149.A OG1 no hydrogen 2.838 N/A SER 203.A OG ASN 199.A O no hydrogen 2.909 N/A LEU 204.A N ASP 150.A O no hydrogen 2.919 N/A PHE 205.A N HIS 241.A O no hydrogen 2.665 N/A ILE 206.A N ILE 152.A O no hydrogen 2.811 N/A ILE 207.A N VAL 243.A O no hydrogen 2.853 N/A ALA 208.A N ILE 154.A O no hydrogen 2.803 N/A SER 209.A N LEU 245.A O no hydrogen 3.021 N/A LYS 210.A NZ ASP 267.A O no hydrogen 3.138 N/A LYS 210.A NZ VAL 269.A O no hydrogen 3.038 N/A THR 211.A OG1 THR 213.A OG1 no hydrogen 3.117 N/A PHE 212.A N SER 209.A OG no hydrogen 2.582 N/A THR 213.A N THR 211.A OG1 no hydrogen 3.314 N/A THR 213.A OG1 THR 211.A OG1 no hydrogen 3.117 N/A GLU 216.A N GLU 216.A OE2 no hydrogen 3.279 N/A ILE 218.A N THR 214.A O no hydrogen 2.882 N/A THR 219.A N GLN 215.A O no hydrogen 2.928 N/A THR 219.A OG1 GLN 215.A O no hydrogen 2.691 N/A ASN 220.A N GLU 216.A O no hydrogen 2.975 N/A ASN 220.A ND2 ASN 185.A O no hydrogen 3.085 N/A ALA 221.A N THR 217.A O no hydrogen 2.861 N/A LYS 222.A N ILE 218.A O no hydrogen 2.953 N/A THR 223.A N THR 219.A O no hydrogen 2.959 N/A THR 223.A OG1 THR 219.A O no hydrogen 3.228 N/A ALA 224.A N ASN 220.A O no hydrogen 2.879 N/A LYS 225.A N ALA 221.A O no hydrogen 3.093 N/A LYS 225.A NZ PHE 255.A O no hydrogen 2.976 N/A ASP 226.A N LYS 222.A O no hydrogen 3.008 N/A TRP 227.A N THR 223.A O no hydrogen 2.965 N/A PHE 228.A N ALA 224.A O no hydrogen 3.003 N/A LEU 229.A N LYS 225.A O no hydrogen 2.966 N/A LEU 229.A N ASP 226.A O no hydrogen 3.047 N/A LEU 230.A N ASP 226.A O no hydrogen 3.267 N/A ALA 232.A N LEU 229.A O no hydrogen 3.363 N/A SER 236.A OG ASP 234.A O no hydrogen 3.557 N/A THR 237.A N ASP 234.A O no hydrogen 2.776 N/A THR 237.A OG1 LYS 233.A O no hydrogen 3.369 N/A THR 237.A OG1 ASP 234.A O no hydrogen 2.827 N/A ALA 239.A N SER 236.A O no hydrogen 3.026 N/A LYS 240.A N THR 237.A O no hydrogen 2.931 N/A HIS 241.A N VAL 238.A O no hydrogen 2.768 N/A HIS 241.A ND1 SER 203.A O no hydrogen 2.739 N/A PHE 242.A N VAL 238.A O no hydrogen 2.845 N/A VAL 243.A N PHE 205.A O no hydrogen 2.938 N/A ALA 244.A N ASN 261.A O no hydrogen 3.107 N/A LEU 245.A N ILE 207.A O no hydrogen 2.946 N/A SER 246.A N PHE 263.A O no hydrogen 3.319 N/A SER 246.A OG SER 209.A O no hydrogen 2.786 N/A SER 246.A OG LYS 210.A O no hydrogen 3.085 N/A THR 247.A N LYS 210.A O no hydrogen 3.080 N/A THR 247.A OG1 LYS 210.A O no hydrogen 2.622 N/A ASN 248.A N SER 246.A OG no hydrogen 2.855 N/A ASN 248.A ND2 THR 211.A O no hydrogen 2.874 N/A LYS 251.A NZ THR 211.A O no hydrogen 3.394 N/A VAL 252.A N ASN 248.A O no hydrogen 3.211 N/A VAL 252.A N THR 249.A O no hydrogen 3.055 N/A LYS 253.A N THR 249.A O no hydrogen 3.137 N/A LYS 253.A N ALA 250.A O no hydrogen 2.729 N/A GLU 254.A N ALA 250.A O no hydrogen 3.189 N/A GLY 256.A N LYS 253.A O no hydrogen 3.048 N/A ASN 261.A N ASP 258.A O no hydrogen 2.852 N/A ASN 261.A ND2 ASP 258.A OD2 no hydrogen 2.810 N/A MET 262.A N PRO 259.A O no hydrogen 3.282 N/A PHE 263.A N ALA 244.A O no hydrogen 2.871 N/A VAL 269.A N TRP 266.A O no hydrogen 2.970 N/A ARG 272.A NE SER 358.A OG no hydrogen 2.825 N/A ARG 272.A NH1 GLN 511.A OE1 no hydrogen 2.688 N/A ARG 272.A NH2 SER 508.A O no hydrogen 3.058 N/A ARG 272.A NH2 ASP 510.A O no hydrogen 2.940 N/A ARG 272.A NH2 GLN 511.A OE1 no hydrogen 3.284 N/A TYR 273.A N GLY 270.A O no hydrogen 2.868 N/A TYR 273.A OH SER 358.A OG no hydrogen 2.842 N/A SER 274.A N GLY 271.A O no hydrogen 3.193 N/A SER 274.A OG GLY 271.A O no hydrogen 2.605 N/A TRP 276.A NE1 GLU 494.A OE2 no hydrogen 3.040 N/A SER 277.A N SER 274.A O no hydrogen 2.724 N/A SER 277.A OG SER 274.A O no hydrogen 2.559 N/A ILE 279.A N SER 277.A OG no hydrogen 3.272 N/A GLY 280.A N SER 277.A O no hydrogen 2.866 N/A LEU 281.A N ALA 278.A O no hydrogen 2.844 N/A ILE 283.A N GLY 280.A O no hydrogen 2.747 N/A ALA 284.A N GLY 280.A O no hydrogen 3.110 N/A LEU 285.A N LEU 281.A O no hydrogen 2.858 N/A HIS 286.A N SER 282.A O no hydrogen 3.103 N/A HIS 286.A N ILE 283.A O no hydrogen 3.091 N/A HIS 286.A ND1 PRO 178.A O no hydrogen 3.279 N/A VAL 287.A N ILE 283.A O no hydrogen 2.983 N/A GLY 288.A N ALA 284.A O no hydrogen 2.763 N/A ASN 291.A ND2 VAL 287.A O no hydrogen 2.653 N/A PHE 292.A N GLY 288.A O no hydrogen 3.256 N/A GLU 293.A N PHE 289.A O no hydrogen 2.922 N/A GLN 294.A N ASP 290.A O no hydrogen 2.970 N/A LEU 295.A N ASN 291.A O no hydrogen 2.890 N/A LEU 296.A N PHE 292.A O no hydrogen 3.003 N/A SER 297.A N GLU 293.A O no hydrogen 2.769 N/A GLY 298.A N GLN 294.A O no hydrogen 2.855 N/A ALA 299.A N LEU 295.A O no hydrogen 3.197 N/A HIS 300.A N LEU 296.A O no hydrogen 2.886 N/A HIS 300.A NE2 SER 106.A OG no hydrogen 2.730 N/A TRP 301.A N SER 297.A O no hydrogen 2.980 N/A MET 302.A N GLY 298.A O no hydrogen 3.296 N/A ASP 303.A N ALA 299.A O no hydrogen 2.882 N/A GLN 304.A N HIS 300.A O no hydrogen 3.099 N/A HIS 305.A N TRP 301.A O no hydrogen 2.933 N/A PHE 306.A N MET 302.A O no hydrogen 2.870 N/A ARG 307.A N ASP 303.A O no hydrogen 2.900 N/A ARG 307.A NE GLU 81.A OE1 no hydrogen 3.372 N/A ARG 307.A NE GLU 81.A OE2 no hydrogen 3.163 N/A ARG 307.A NH2 GLU 81.A OE2 no hydrogen 2.574 N/A ARG 307.A NH2 ASN 85.A OD1 no hydrogen 3.478 N/A THR 308.A N GLN 304.A O no hydrogen 2.905 N/A THR 308.A OG1 GLN 304.A O no hydrogen 2.822 N/A THR 309.A N HIS 305.A O no hydrogen 3.045 N/A THR 309.A OG1 HIS 305.A ND1 no hydrogen 3.295 N/A THR 309.A OG1 HIS 305.A O no hydrogen 2.679 N/A LYS 313.A N PRO 310.A O no hydrogen 2.790 N/A ASN 314.A N LEU 311.A O no hydrogen 2.943 N/A ASN 314.A ND2 PHE 306.A O no hydrogen 2.926 N/A ASN 314.A ND2 THR 309.A O no hydrogen 3.012 N/A ALA 315.A N HIS 305.A NE2 no hydrogen 2.963 N/A LEU 318.A N ASN 314.A O no hydrogen 2.887 N/A LEU 319.A N ALA 315.A O no hydrogen 3.033 N/A ALA 320.A N PRO 316.A O no hydrogen 2.983 N/A MET 321.A N VAL 317.A O no hydrogen 2.890 N/A LEU 322.A N LEU 318.A O no hydrogen 2.995 N/A GLY 323.A N LEU 319.A O no hydrogen 3.112 N/A ILE 324.A N ALA 320.A O no hydrogen 2.892 N/A TRP 325.A N MET 321.A O no hydrogen 3.002 N/A TRP 325.A NE1 LEU 58.A O no hydrogen 2.939 N/A TYR 326.A N LEU 322.A O no hydrogen 3.191 N/A TYR 326.A OH ASN 57.A OD1 no hydrogen 2.584 N/A ILE 327.A N GLY 323.A O no hydrogen 2.839 N/A ASN 328.A N ILE 324.A O no hydrogen 2.738 N/A ASN 328.A ND2 GLN 373.A O no hydrogen 3.080 N/A CYS 329.A N TRP 325.A O no hydrogen 3.016 N/A PHE 330.A N TRP 325.A O no hydrogen 3.228 N/A CYS 332.A N TYR 326.A O no hydrogen 2.906 N/A CYS 332.A SG TYR 326.A O no hydrogen 3.635 N/A CYS 332.A SG MET 400.A O no hydrogen 3.624 N/A GLN 335.A N ILE 377.A O no hydrogen 2.916 N/A GLN 335.A NE2 ALA 336.A O no hydrogen 3.239 N/A ALA 336.A N PRO 402.A O no hydrogen 2.980 N/A VAL 337.A N TRP 379.A O no hydrogen 2.802 N/A LEU 338.A N ASP 404.A O no hydrogen 2.830 N/A TYR 340.A N LEU 406.A O no hydrogen 2.645 N/A TYR 340.A OH TYR 391.A OH no hydrogen 3.044 N/A TYR 343.A OH HIS 413.A NE2 no hydrogen 2.677 N/A LEU 344.A N ASP 341.A O no hydrogen 2.960 N/A HIS 345.A N GLN 342.A O no hydrogen 3.134 N/A HIS 345.A NE2 GLU 168.A OE2 no hydrogen 2.670 N/A ARG 346.A NE HIS 345.A O no hydrogen 3.386 N/A PHE 347.A N LEU 344.A O no hydrogen 3.019 N/A TYR 350.A N ARG 346.A O no hydrogen 2.963 N/A PHE 351.A N PHE 347.A O no hydrogen 3.285 N/A GLN 352.A N ALA 348.A O no hydrogen 2.962 N/A GLN 352.A NE2 VAL 378.A O no hydrogen 2.772 N/A GLN 353.A N ALA 349.A O no hydrogen 3.409 N/A GLN 353.A NE2 GLU 357.A OE2 no hydrogen 3.011 N/A GLY 354.A N TYR 350.A O no hydrogen 2.960 N/A ASP 355.A N PHE 351.A O no hydrogen 2.731 N/A MET 356.A N GLN 352.A O no hydrogen 3.244 N/A GLU 357.A N GLN 353.A O no hydrogen 2.851 N/A SER 358.A OG TYR 273.A OH no hydrogen 2.842 N/A SER 358.A OG GLY 354.A O no hydrogen 2.628 N/A SER 358.A OG SER 508.A O no hydrogen 3.364 N/A ASN 359.A N ASP 355.A O no hydrogen 2.835 N/A ASN 359.A ND2 ILE 497.A O no hydrogen 3.150 N/A GLY 360.A N MET 356.A O no hydrogen 2.957 N/A LYS 361.A NZ SER 358.A O no hydrogen 2.721 N/A LYS 361.A NZ ASN 507.A O no hydrogen 2.699 N/A LYS 361.A NZ ASP 510.A O no hydrogen 2.814 N/A LYS 361.A NZ ASP 510.A OD1 no hydrogen 2.825 N/A THR 364.A N ALA 368.A O no hydrogen 2.754 N/A THR 364.A OG1 SER 366.A OG no hydrogen 2.864 N/A THR 364.A OG1 ALA 368.A O no hydrogen 3.204 N/A LYS 365.A N ASP 505.A O no hydrogen 2.952 N/A LYS 365.A NZ ILE 89.A O no hydrogen 2.824 N/A SER 366.A N THR 364.A OG1 no hydrogen 3.327 N/A SER 366.A OG THR 364.A OG1 no hydrogen 2.864 N/A GLY 367.A N THR 364.A O no hydrogen 2.985 N/A ALA 368.A N THR 364.A OG1 no hydrogen 3.033 N/A VAL 370.A N TYR 362.A O no hydrogen 2.707 N/A HIS 372.A ND1 GLN 373.A O no hydrogen 2.989 N/A THR 374.A OG1 ASN 359.A O no hydrogen 3.343 N/A THR 374.A OG1 LYS 361.A O no hydrogen 2.790 N/A GLY 375.A N ASN 359.A O no hydrogen 3.025 N/A ILE 377.A N GLU 333.A O no hydrogen 2.831 N/A TRP 379.A N GLN 335.A O no hydrogen 3.172 N/A TRP 379.A NE1 THR 334.A OG1 no hydrogen 3.273 N/A GLY 383.A N PRO 339.A O no hydrogen 2.907 N/A GLN 387.A N THR 384.A O no hydrogen 2.600 N/A GLN 387.A NE2 TYR 340.A OH no hydrogen 2.614 N/A HIS 388.A N ASN 385.A O no hydrogen 2.672 N/A ALA 389.A N GLY 386.A O no hydrogen 2.871 N/A TYR 391.A N GLY 386.A O no hydrogen 3.135 N/A TYR 391.A OH TYR 340.A OH no hydrogen 3.044 N/A GLN 392.A N ALA 389.A O no hydrogen 3.275 N/A GLN 392.A NE2 GLN 396.A OE1 no hydrogen 2.884 N/A LEU 393.A N PHE 390.A O no hydrogen 3.045 N/A ILE 394.A N PHE 390.A O no hydrogen 3.335 N/A HIS 395.A N TYR 391.A O no hydrogen 2.792 N/A HIS 395.A NE2 GLN 431.A OE1 no hydrogen 2.951 N/A GLN 396.A N GLN 392.A O no hydrogen 2.818 N/A GLN 396.A NE2 HIS 464.A O no hydrogen 3.162 N/A GLN 396.A NE2 VAL 466.A O no hydrogen 3.132 N/A GLY 397.A N LEU 393.A O no hydrogen 2.736 N/A CYS 403.A SG ILE 401.A O no hydrogen 3.459 N/A ASP 404.A N ALA 336.A O no hydrogen 2.944 N/A PHE 405.A N ASN 474.A O no hydrogen 2.846 N/A LEU 406.A N LEU 338.A O no hydrogen 3.256 N/A ILE 407.A N ILE 476.A O no hydrogen 3.079 N/A VAL 409.A N PHE 478.A O no hydrogen 2.691 N/A GLN 410.A N THR 479.A O no hydrogen 2.766 N/A GLN 412.A NE2 TYR 173.A OH no hydrogen 3.116 N/A GLN 412.A NE2 LEU 481.A O no hydrogen 3.143 N/A HIS 413.A N THR 411.A OG1 no hydrogen 3.078 N/A HIS 413.A NE2 TYR 343.A OH no hydrogen 2.677 N/A ILE 415.A N HIS 413.A O no hydrogen 2.821 N/A GLY 418.A N ILE 415.A O no hydrogen 2.931 N/A LEU 419.A N ARG 416.A O no hydrogen 3.127 N/A HIS 421.A NE2 PRO 408.A O no hydrogen 2.943 N/A LYS 422.A N GLY 418.A O no hydrogen 2.931 N/A ILE 423.A N LEU 419.A O no hydrogen 3.105 N/A LEU 424.A N HIS 420.A O no hydrogen 2.978 N/A LEU 425.A N HIS 421.A O no hydrogen 2.894 N/A ALA 426.A N LYS 422.A O no hydrogen 2.992 N/A ASN 427.A N ILE 423.A O no hydrogen 3.128 N/A ASN 427.A ND2 ILE 423.A O no hydrogen 2.877 N/A PHE 428.A N LEU 424.A O no hydrogen 3.074 N/A LEU 429.A N LEU 425.A O no hydrogen 3.049 N/A ALA 430.A N ALA 426.A O no hydrogen 2.926 N/A GLN 431.A N ASN 427.A O no hydrogen 2.878 N/A THR 432.A OG1 LEU 429.A O no hydrogen 3.300 N/A GLU 433.A N LEU 429.A O no hydrogen 3.194 N/A ALA 434.A N ALA 430.A O no hydrogen 2.938 N/A LEU 435.A N GLN 431.A O no hydrogen 2.971 N/A MET 436.A N THR 432.A O no hydrogen 3.222 N/A LYS 437.A N GLU 433.A O no hydrogen 2.890 N/A GLY 438.A N ALA 434.A O no hydrogen 2.735 N/A LYS 439.A N PHE 467.A O no hydrogen 2.729 N/A LYS 439.A NZ GLU 447.A OE1 no hydrogen 3.480 N/A LYS 439.A NZ GLU 447.A OE2 no hydrogen 2.900 N/A SER 440.A N GLU 443.A OE2 no hydrogen 2.800 N/A SER 440.A OG GLU 443.A OE2 no hydrogen 3.082 N/A GLU 443.A N SER 440.A OG no hydrogen 3.246 N/A ALA 444.A N SER 440.A O no hydrogen 2.937 N/A ARG 445.A N THR 441.A O no hydrogen 2.753 N/A LYS 446.A N GLU 442.A O no hydrogen 2.985 N/A GLU 447.A N GLU 443.A O no hydrogen 3.175 N/A LEU 448.A N ALA 444.A O no hydrogen 3.055 N/A GLN 449.A N ARG 445.A O no hydrogen 2.801 N/A ALA 450.A N LYS 446.A O no hydrogen 2.999 N/A ALA 451.A N GLU 447.A O no hydrogen 2.861 N/A GLY 452.A N GLN 449.A O no hydrogen 2.980 N/A LYS 453.A N LEU 448.A O no hydrogen 3.154 N/A LEU 458.A N SER 454.A O no hydrogen 2.756 N/A MET 459.A N PRO 455.A O no hydrogen 3.079 N/A LYS 460.A N GLU 456.A O no hydrogen 3.120 N/A LEU 461.A N ASP 457.A O no hydrogen 2.875 N/A LEU 462.A N LEU 458.A O no hydrogen 2.660 N/A LYS 465.A N LEU 462.A O no hydrogen 2.824 N/A VAL 466.A N PRO 463.A O no hydrogen 3.210 N/A PHE 467.A N LYS 439.A O no hydrogen 3.000 N/A ASN 470.A N MET 436.A O no hydrogen 3.022 N/A ASN 470.A ND2 LEU 23.A O no hydrogen 3.141 N/A ARG 471.A N LEU 435.A O no hydrogen 2.849 N/A ARG 471.A NE ILE 394.A O no hydrogen 2.912 N/A ARG 471.A NH1 GLY 469.A O no hydrogen 2.990 N/A THR 473.A N LYS 56.A O no hydrogen 3.142 N/A ASN 474.A N CYS 403.A O no hydrogen 2.890 N/A ASN 474.A ND2 ASP 404.A OD1 no hydrogen 2.958 N/A SER 475.A N ASP 53.A O no hydrogen 3.003 N/A ILE 476.A N PHE 405.A O no hydrogen 2.772 N/A VAL 477.A N LEU 51.A O no hydrogen 2.927 N/A PHE 478.A N ILE 407.A O no hydrogen 3.180 N/A THR 479.A N HIS 49.A O no hydrogen 3.130 N/A THR 479.A OG1 HIS 49.A O no hydrogen 3.519 N/A ILE 485.A N THR 482.A OG1 no hydrogen 3.322 N/A LEU 486.A N THR 482.A O no hydrogen 2.870 N/A GLY 487.A N PRO 483.A O no hydrogen 3.011 N/A ALA 488.A N PHE 484.A O no hydrogen 3.030 N/A LEU 489.A N ILE 485.A O no hydrogen 2.872 N/A ILE 490.A N LEU 486.A O no hydrogen 2.964 N/A ALA 491.A N GLY 487.A O no hydrogen 3.119 N/A MET 492.A N ALA 488.A O no hydrogen 2.998 N/A TYR 493.A N LEU 489.A O no hydrogen 3.272 N/A TYR 493.A OH ASP 404.A OD2 no hydrogen 2.605 N/A GLU 494.A N ILE 490.A O no hydrogen 3.027 N/A HIS 495.A N ALA 491.A O no hydrogen 3.035 N/A HIS 495.A NE2 ASP 303.A OD1 no hydrogen 2.523 N/A LYS 496.A N MET 492.A O no hydrogen 3.004 N/A ILE 497.A N TYR 493.A O no hydrogen 2.980 N/A PHE 498.A N GLU 494.A O no hydrogen 2.931 N/A VAL 499.A N HIS 495.A O no hydrogen 2.907 N/A GLN 500.A N LYS 496.A O no hydrogen 3.119 N/A GLN 500.A NE2 ALA 320.A O no hydrogen 3.075 N/A GLY 501.A N ILE 497.A O no hydrogen 3.135 N/A VAL 502.A N PHE 498.A O no hydrogen 3.193 N/A VAL 503.A N VAL 499.A O no hydrogen 3.038 N/A TRP 504.A N GLN 500.A O no hydrogen 2.982 N/A TRP 504.A NE1 ASN 328.A OD1 no hydrogen 2.852 N/A ASP 505.A N VAL 502.A O no hydrogen 2.807 N/A ILE 506.A N GLY 501.A O no hydrogen 3.002 N/A ASN 507.A ND2 THR 92.A OG1 no hydrogen 3.002 N/A ASN 507.A ND2 ASP 510.A OD2 no hydrogen 2.864 N/A SER 508.A OG ASN 359.A OD1 no hydrogen 2.632 N/A PHE 509.A N ASN 507.A OD1 no hydrogen 3.222 N/A GLN 511.A NE2 GLU 515.A OE1.A no hydrogen 2.743 N/A GLU 515.A N.A GLN 511.A O no hydrogen 2.839 N/A GLU 515.A N.B TRP 512.A O.A no hydrogen 2.826 N/A GLU 515.A N.B TRP 512.A O.B no hydrogen 3.230 N/A LEU 516.A N.A TRP 512.A O.A no hydrogen 3.090 N/A GLY 517.A N.A GLY 513.A O.A no hydrogen 3.233 N/A LYS 518.A N.A VAL 514.A O.A no hydrogen 3.344 N/A LYS 518.A NZ.B VAL 514.A O.A no hydrogen 2.536 N/A GLN 519.A N.B GLU 515.A O.B no hydrogen 3.119 N/A GLN 519.A N.B LEU 516.A O.A no hydrogen 2.881 N/A GLN 519.A NE2.A LYS 518.A O.B no hydrogen 3.587 N/A GLN 519.A NE2.A GLN 519.A O.A no hydrogen 2.606 N/A LEU 520.A N.A GLY 517.A O.A no hydrogen 3.171 N/A LEU 520.A N.B LEU 516.A O.B no hydrogen 2.930 N/A ALA 521.A N.B GLY 517.A O.B no hydrogen 2.616 N/A LYS 522.A N LYS 518.A O.B no hydrogen 3.162 N/A LYS 522.A NZ GLN 215.A OE1 no hydrogen 3.094 N/A LYS 522.A NZ GLU 525.A OE1 no hydrogen 3.264 N/A LYS 523.A NZ LEU 520.A O.B no hydrogen 3.107 N/A ILE 524.A N LEU 520.A O.B no hydrogen 3.359 N/A ILE 524.A N ALA 521.A O.A no hydrogen 3.062 N/A ILE 524.A N ALA 521.A O.B no hydrogen 3.208 N/A GLU 525.A N ALA 521.A O.A no hydrogen 2.869 N/A GLU 525.A N ALA 521.A O.B no hydrogen 3.013 N/A LEU 528.A N ILE 524.A O no hydrogen 3.259 N/A LEU 528.A N GLU 525.A O no hydrogen 3.143 N/A ASP 529.A N PRO 526.A O no hydrogen 3.151 N/A VAL 534.A N ASN 546.A OD1 no hydrogen 2.896 N/A SER 536.A OG GLU 527.A OE2 no hydrogen 2.992 N/A HIS 537.A NE2 GLU 527.A OE1 no hydrogen 2.602 N/A HIS 537.A NE2 GLU 527.A OE2 no hydrogen 3.179 N/A THR 541.A N ASP 538.A OD1 no hydrogen 2.842 N/A THR 541.A OG1 ASP 538.A OD1 no hydrogen 3.445 N/A THR 541.A OG1 ASP 538.A OD2 no hydrogen 2.790 N/A ASN 542.A N ASP 538.A O no hydrogen 2.926 N/A GLY 543.A N SER 539.A O no hydrogen 2.827 N/A LEU 544.A N SER 540.A O no hydrogen 2.907 N/A ILE 545.A N THR 541.A O no hydrogen 3.055 N/A ASN 546.A N ASN 542.A O no hydrogen 2.965 N/A ASN 546.A ND2 VAL 534.A O no hydrogen 3.498 N/A PHE 547.A N GLY 543.A O no hydrogen 3.046 N/A ILE 548.A N LEU 544.A O no hydrogen 3.063 N/A LYS 549.A N ILE 545.A O no hydrogen 3.066 N/A LYS 549.A NZ GLU 527.A O no hydrogen 3.010 N/A LYS 549.A NZ ASP 529.A O no hydrogen 3.398 N/A LYS 549.A NZ GLY 530.A O no hydrogen 3.560 N/A LYS 549.A NZ SER 532.A O no hydrogen 2.673 N/A GLN 550.A N ASN 546.A O no hydrogen 3.105 N/A GLN 551.A N PHE 547.A O no hydrogen 3.014 N/A ARG 552.A N ILE 548.A O no hydrogen 2.797 N/A ARG 552.A NH1 LEU 528.A O no hydrogen 2.832 N/A ALA 554.A N GLN 551.A O no hydrogen 2.915 N/A