Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xu3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N SER 5.A OG no hydrogen 2.632 N/A ASN 7.A N GLU 10.A OE2 no hydrogen 2.947 N/A GLU 10.A N ASN 7.A OD1 no hydrogen 3.028 N/A VAL 11.A N ASN 7.A O no hydrogen 3.358 N/A VAL 11.A N ALA 8.A O no hydrogen 2.910 N/A HIS 12.A N ALA 8.A O no hydrogen 2.760 N/A HIS 12.A NE2 GLU 41.A OE2 no hydrogen 2.760 N/A ARG 13.A N GLN 9.A O no hydrogen 3.007 N/A TRP 14.A N VAL 11.A O no hydrogen 3.167 N/A LEU 15.A N HIS 12.A O no hydrogen 2.912 N/A GLN 16.A NE2 THR 39.A O no hydrogen 3.025 N/A SER 17.A N TRP 14.A O no hydrogen 3.025 N/A SER 17.A OG TRP 14.A O no hydrogen 2.447 N/A PHE 18.A N LEU 15.A O no hydrogen 3.041 N/A ASN 19.A ND2 GLN 112.A O no hydrogen 2.720 N/A ASN 25.A N PHE 22.A O no hydrogen 2.803 N/A ASN 25.A ND2 ASN 19.A OD1 no hydrogen 2.932 N/A ASN 25.A ND2 TRP 20.A O no hydrogen 2.723 N/A ARG 26.A NH1 ARG 26.A O no hydrogen 2.894 N/A THR 27.A OG1 ASP 109.A OD1 no hydrogen 3.007 N/A LYS 28.A N ASP 109.A OD1 no hydrogen 2.838 N/A THR 31.A OG1 TYR 33.A O no hydrogen 3.561 N/A THR 31.A OG1 ASP 179.A OD2 no hydrogen 2.715 N/A LYS 32.A N ASP 179.A OD1 no hydrogen 2.974 N/A LYS 32.A NZ ASP 179.A OD1 no hydrogen 2.826 N/A LYS 32.A NZ ASP 253.A OD2 no hydrogen 2.923 N/A TYR 33.A N THR 31.A OG1 no hydrogen 3.119 N/A TYR 33.A OH ASP 253.A OD2 no hydrogen 2.565 N/A ALA 36.A N SER 239.A O no hydrogen 2.508 N/A THR 39.A N ALA 36.A O no hydrogen 3.356 N/A THR 39.A OG1 ALA 36.A O no hydrogen 2.959 N/A GLU 41.A N GLU 115.A OE1 no hydrogen 2.909 N/A LEU 45.A N PHE 43.A O no hydrogen 2.925 N/A TYR 50.A N ILE 46.A O no hydrogen 2.980 N/A TYR 50.A OH ASP 126.A OD1 no hydrogen 2.883 N/A ALA 51.A N ALA 47.A O no hydrogen 2.942 N/A ARG 52.A N LYS 48.A O no hydrogen 3.035 N/A ARG 52.A NE GLU 49.A OE1 no hydrogen 3.429 N/A ARG 52.A NE GLU 49.A OE2 no hydrogen 2.918 N/A ARG 52.A NH2 GLU 49.A OE1 no hydrogen 2.743 N/A MET 53.A N GLU 49.A O no hydrogen 3.123 N/A GLU 54.A N TYR 50.A O no hydrogen 3.157 N/A ALA 55.A N ALA 51.A O no hydrogen 2.834 N/A VAL 56.A N ARG 52.A O no hydrogen 3.023 N/A LYS 57.A NZ GLU 54.A OE1 no hydrogen 3.379 N/A LYS 57.A NZ THR 224.A O no hydrogen 3.449 N/A LYS 57.A NZ THR 224.A OG1 no hydrogen 2.893 N/A LYS 57.A NZ ASP 225.A OD2 no hydrogen 2.720 N/A ASP 58.A N GLU 54.A O no hydrogen 2.948 N/A GLU 59.A N ALA 55.A O no hydrogen 2.925 N/A GLN 61.A N LYS 57.A O no hydrogen 3.087 N/A GLN 61.A NE2 VAL 218.A O no hydrogen 3.621 N/A PHE 62.A N ASP 58.A O no hydrogen 2.856 N/A GLY 63.A N GLU 59.A O no hydrogen 2.830 N/A SER 64.A N ARG 60.A O no hydrogen 2.857 N/A SER 64.A OG ARG 60.A O no hydrogen 3.153 N/A LEU 65.A N GLN 61.A O no hydrogen 3.041 N/A GLN 66.A N PHE 62.A O no hydrogen 2.828 N/A ASP 67.A N GLY 63.A O no hydrogen 3.072 N/A LEU 69.A N SER 64.A O no hydrogen 3.026 N/A THR 70.A OG1 LEU 65.A O no hydrogen 2.711 N/A THR 70.A OG1 TYR 140.A OH no hydrogen 2.715 N/A ARG 71.A N ASP 67.A O no hydrogen 2.902 N/A ARG 71.A NH2 ASP 67.A OD1 no hydrogen 3.410 N/A LEU 72.A N ALA 68.A O no hydrogen 2.831 N/A LEU 72.A N LEU 69.A O no hydrogen 3.219 N/A ASN 73.A N THR 70.A O no hydrogen 3.003 N/A ALA 74.A N LEU 69.A O no hydrogen 3.077 N/A VAL 76.A N ASN 73.A O no hydrogen 3.088 N/A ARG 77.A N ASN 73.A O no hydrogen 3.298 N/A VAL 78.A N VAL 76.A O no hydrogen 2.526 N/A HIS 79.A N ASN 210.A O no hydrogen 2.938 N/A LYS 81.A N HIS 79.A ND1 no hydrogen 3.193 N/A LYS 81.A NZ TYR 275.A O no hydrogen 3.303 N/A LYS 81.A NZ SER 277.A O no hydrogen 2.888 N/A LYS 81.A NZ GLU 351.A OE2 no hydrogen 2.614 N/A TRP 82.A NE1 ASP 212.A OD2 no hydrogen 3.029 N/A ASN 83.A N HIS 79.A O no hydrogen 3.080 N/A GLU 84.A N PRO 80.A O no hydrogen 3.267 N/A GLU 84.A N LYS 81.A O no hydrogen 3.193 N/A THR 85.A N LYS 81.A O no hydrogen 2.972 N/A THR 85.A OG1 LYS 81.A O no hydrogen 3.242 N/A THR 85.A OG1 GLY 276.A O no hydrogen 2.565 N/A MET 86.A N TRP 82.A O no hydrogen 3.026 N/A LYS 87.A N GLU 84.A O no hydrogen 2.925 N/A LYS 87.A NZ GLU 84.A OE1 no hydrogen 2.734 N/A LYS 87.A NZ GLU 84.A OE2 no hydrogen 2.976 N/A LYS 87.A NZ ASP 147.A OD2 no hydrogen 2.962 N/A LYS 87.A NZ ALA 149.A O no hydrogen 2.686 N/A VAL 88.A N THR 85.A O no hydrogen 2.986 N/A VAL 89.A N THR 85.A O no hydrogen 2.839 N/A SER 90.A N MET 86.A O no hydrogen 3.092 N/A SER 90.A OG CYS 134.A O no hydrogen 2.814 N/A ASN 91.A N LYS 87.A O no hydrogen 3.412 N/A PHE 92.A N VAL 88.A O no hydrogen 2.865 N/A LEU 93.A N VAL 89.A O no hydrogen 3.063 N/A GLU 94.A N SER 90.A O no hydrogen 2.916 N/A VAL 95.A N ASN 91.A O no hydrogen 3.360 N/A VAL 95.A N PHE 92.A O no hydrogen 3.196 N/A GLY 96.A N PHE 92.A O no hydrogen 3.409 N/A GLU 97.A N LEU 93.A O no hydrogen 2.866 N/A TYR 98.A N GLU 94.A O no hydrogen 2.784 N/A ASN 99.A N VAL 95.A O no hydrogen 2.760 N/A ALA 100.A N GLY 96.A O no hydrogen 2.940 N/A ILE 101.A N GLU 97.A O no hydrogen 3.202 N/A ILE 101.A N TYR 98.A O no hydrogen 2.835 N/A ALA 103.A N ASN 99.A O no hydrogen 2.826 N/A THR 104.A N ALA 100.A O no hydrogen 2.982 N/A THR 104.A OG1 ALA 100.A O no hydrogen 2.738 N/A THR 104.A OG1 ILE 101.A O no hydrogen 3.288 N/A GLY 105.A N ILE 101.A O no hydrogen 3.147 N/A MET 106.A N ALA 102.A O no hydrogen 2.954 N/A LEU 107.A N ALA 103.A O no hydrogen 3.093 N/A TRP 108.A N THR 104.A O no hydrogen 2.887 N/A ASP 109.A N GLY 105.A O no hydrogen 3.158 N/A SER 110.A N MET 106.A O no hydrogen 3.038 N/A SER 110.A OG MET 106.A O no hydrogen 2.810 N/A ALA 111.A N LEU 107.A O no hydrogen 2.810 N/A GLN 112.A NE2 SER 110.A O no hydrogen 3.132 N/A GLU 115.A N GLN 16.A OE1 no hydrogen 2.646 N/A GLN 116.A NE2 SER 239.A OG no hydrogen 3.103 N/A LYS 117.A N ALA 113.A O no hydrogen 2.986 N/A LYS 117.A NZ TRP 108.A O no hydrogen 2.988 N/A LYS 117.A NZ ALA 111.A O no hydrogen 2.637 N/A ASN 118.A N ALA 114.A O no hydrogen 2.908 N/A ASN 118.A ND2 GLU 41.A OE2 no hydrogen 2.756 N/A ASN 118.A ND2 LEU 45.A O no hydrogen 3.217 N/A GLY 119.A N GLU 115.A O no hydrogen 3.022 N/A TYR 120.A N GLN 116.A O no hydrogen 3.317 N/A TYR 120.A OH THR 236.A OG1 no hydrogen 2.780 N/A LEU 121.A N LYS 117.A O no hydrogen 2.793 N/A ALA 122.A N ASN 118.A O no hydrogen 3.142 N/A GLN 123.A N TYR 120.A O no hydrogen 2.860 N/A GLN 123.A NE2 GLU 127.A OE1 no hydrogen 2.803 N/A VAL 124.A N TYR 120.A O no hydrogen 2.897 N/A LEU 125.A N LEU 121.A O no hydrogen 3.258 N/A ASP 126.A N ALA 122.A O no hydrogen 3.192 N/A GLU 127.A N GLN 123.A O no hydrogen 2.696 N/A ILE 128.A N VAL 124.A O no hydrogen 3.298 N/A ARG 129.A N LEU 125.A O no hydrogen 2.951 N/A ARG 129.A NE ASP 58.A OD2 no hydrogen 3.164 N/A ARG 129.A NH1 SER 221.A O no hydrogen 3.515 N/A ARG 129.A NH1 ASP 225.A OD1 no hydrogen 2.565 N/A ARG 129.A NH2 ASP 58.A OD2 no hydrogen 2.719 N/A ARG 129.A NH2 SER 221.A OG no hydrogen 2.888 N/A HIS 130.A N ASP 126.A O no hydrogen 2.647 N/A HIS 130.A ND1 GLU 97.A OE1 no hydrogen 3.055 N/A HIS 130.A NE2 ASP 225.A OD1 no hydrogen 2.945 N/A THR 131.A N GLU 127.A O no hydrogen 2.938 N/A THR 131.A OG1 GLU 127.A O no hydrogen 2.890 N/A HIS 132.A N ILE 128.A O no hydrogen 3.042 N/A GLN 133.A N ARG 129.A O no hydrogen 2.904 N/A CYS 134.A N HIS 130.A O no hydrogen 3.042 N/A CYS 134.A SG HIS 130.A O no hydrogen 3.407 N/A ALA 135.A N THR 131.A O no hydrogen 2.974 N/A TYR 136.A N HIS 132.A O no hydrogen 2.973 N/A VAL 137.A N GLN 133.A O no hydrogen 3.104 N/A ASN 138.A N CYS 134.A O no hydrogen 3.304 N/A ASN 138.A ND2 MET 86.A O no hydrogen 3.348 N/A TYR 139.A N ALA 135.A O no hydrogen 2.767 N/A TYR 140.A N TYR 136.A O no hydrogen 2.725 N/A TYR 140.A OH THR 70.A OG1 no hydrogen 2.715 N/A PHE 141.A N VAL 137.A O no hydrogen 2.980 N/A ALA 142.A N ASN 138.A O no hydrogen 3.010 N/A LYS 143.A N TYR 139.A O no hydrogen 3.096 N/A ASN 144.A N TYR 140.A O no hydrogen 2.898 N/A GLY 145.A N PHE 141.A O no hydrogen 2.764 N/A GLN 146.A NE2 VAL 78.A O no hydrogen 2.834 N/A ASN 152.A N PRO 148.A O no hydrogen 2.768 N/A ARG 155.A NE GLU 94.A OE2 no hydrogen 2.779 N/A ARG 155.A NH2 GLU 94.A OE1 no hydrogen 2.936 N/A ARG 155.A NH2 GLU 94.A OE2 no hydrogen 3.232 N/A ARG 156.A N ASP 153.A O no hydrogen 3.032 N/A THR 157.A N ASP 153.A O no hydrogen 2.962 N/A THR 157.A OG1 ASP 153.A O no hydrogen 2.961 N/A THR 157.A OG1 ASP 153.A OD1 no hydrogen 2.915 N/A ARG 158.A N ALA 154.A O no hydrogen 2.908 N/A THR 159.A N ARG 156.A O no hydrogen 3.432 N/A THR 159.A OG1 ARG 156.A O no hydrogen 2.611 N/A ILE 160.A N THR 157.A O no hydrogen 3.355 N/A MET 167.A N LEU 163.A O no hydrogen 3.447 N/A LYS 168.A N TRP 164.A O no hydrogen 3.113 N/A ARG 169.A N GLY 166.A O no hydrogen 3.030 N/A ARG 169.A NH2 TYR 447.A OH no hydrogen 3.196 N/A VAL 170.A N GLY 166.A O no hydrogen 3.335 N/A PHE 171.A N MET 167.A O no hydrogen 2.866 N/A SER 172.A OG ASN 99.A OD1 no hydrogen 2.968 N/A ASP 173.A N LYS 168.A O no hydrogen 2.630 N/A GLY 174.A N ARG 169.A O no hydrogen 2.607 N/A PHE 175.A N SER 172.A O no hydrogen 3.013 N/A ILE 176.A N ASP 173.A O no hydrogen 3.353 N/A SER 177.A N ASP 173.A O no hydrogen 2.813 N/A VAL 181.A N ASP 179.A OD2 no hydrogen 3.181 N/A CYS 183.A N ASP 179.A O no hydrogen 2.906 N/A CYS 183.A SG ASP 179.A O no hydrogen 3.505 N/A SER 184.A N ALA 180.A O no hydrogen 2.944 N/A SER 184.A OG GLN 188.A OE1 no hydrogen 2.785 N/A SER 184.A OG THR 236.A OG1 no hydrogen 3.190 N/A LEU 185.A N VAL 181.A O no hydrogen 2.925 N/A LEU 185.A N GLU 182.A O no hydrogen 3.005 N/A ASN 186.A N GLU 182.A O no hydrogen 3.085 N/A LEU 187.A N CYS 183.A O no hydrogen 3.009 N/A GLN 188.A N SER 184.A O no hydrogen 2.728 N/A GLN 188.A NE2 GLN 123.A OE1 no hydrogen 2.747 N/A LEU 189.A N SER 184.A O no hydrogen 3.233 N/A VAL 190.A N LEU 185.A O no hydrogen 2.679 N/A GLY 191.A N ASN 186.A O no hydrogen 2.764 N/A GLU 192.A N LEU 187.A O no hydrogen 2.770 N/A ALA 193.A N GLN 188.A O no hydrogen 3.240 N/A CYS 194.A N VAL 190.A O no hydrogen 2.765 N/A PHE 195.A N GLY 191.A O no hydrogen 2.835 N/A THR 196.A N GLY 191.A O no hydrogen 2.900 N/A ASN 197.A N GLU 192.A O no hydrogen 2.950 N/A LEU 199.A N PHE 195.A O no hydrogen 2.707 N/A ILE 200.A N THR 196.A O no hydrogen 2.602 N/A VAL 201.A N ASN 197.A O no hydrogen 3.493 N/A ALA 202.A N PRO 198.A O no hydrogen 2.997 N/A VAL 203.A N LEU 199.A O no hydrogen 2.768 N/A THR 204.A N ILE 200.A O no hydrogen 3.265 N/A THR 204.A OG1 VAL 201.A O no hydrogen 2.470 N/A GLU 205.A N VAL 201.A O no hydrogen 3.183 N/A GLU 205.A N ALA 202.A O no hydrogen 3.079 N/A TRP 206.A N ALA 202.A O no hydrogen 2.963 N/A ALA 207.A N VAL 203.A O no hydrogen 2.720 N/A ALA 208.A N THR 204.A O no hydrogen 2.935 N/A ALA 209.A N GLU 205.A O no hydrogen 2.908 N/A ASN 210.A N TRP 206.A O no hydrogen 3.116 N/A ASN 210.A N ALA 207.A O no hydrogen 2.858 N/A GLY 211.A N ALA 208.A O no hydrogen 3.168 N/A ASP 212.A N ALA 207.A O no hydrogen 2.962 N/A ILE 214.A N ASP 212.A OD1 no hydrogen 2.798 N/A THR 215.A N ASP 212.A OD1 no hydrogen 2.950 N/A THR 215.A OG1 ASP 212.A OD1 no hydrogen 3.559 N/A THR 215.A OG1 ASP 212.A OD2 no hydrogen 2.521 N/A THR 217.A N GLU 213.A O no hydrogen 3.442 N/A THR 217.A OG1 GLU 213.A O no hydrogen 2.985 N/A VAL 218.A N ILE 214.A O no hydrogen 3.158 N/A PHE 219.A N THR 215.A O no hydrogen 2.674 N/A LEU 220.A N PRO 216.A O no hydrogen 2.887 N/A SER 221.A N VAL 218.A O no hydrogen 3.093 N/A ILE 222.A N VAL 218.A O no hydrogen 3.056 N/A GLU 223.A N PHE 219.A O no hydrogen 3.041 N/A THR 224.A N SER 221.A O no hydrogen 3.304 N/A THR 224.A OG1 SER 221.A O no hydrogen 2.826 N/A ASP 225.A N ILE 222.A O no hydrogen 2.997 N/A GLU 226.A N GLU 223.A O no hydrogen 3.091 N/A ARG 228.A NE ASP 126.A OD2 no hydrogen 3.183 N/A ARG 228.A NH2 GLU 54.A OE1 no hydrogen 3.542 N/A ARG 228.A NH2 ASP 126.A OD1 no hydrogen 2.859 N/A ARG 228.A NH2 ASP 126.A OD2 no hydrogen 2.765 N/A ARG 228.A NH2 ASP 225.A OD2 no hydrogen 3.322 N/A HIS 229.A NE2 ASP 126.A OD2 no hydrogen 2.970 N/A MET 230.A N GLU 226.A O no hydrogen 3.252 N/A ALA 231.A N LEU 227.A O no hydrogen 3.399 N/A ASN 232.A N ARG 228.A O no hydrogen 3.128 N/A GLY 233.A N HIS 229.A O no hydrogen 3.234 N/A TYR 234.A N MET 230.A O no hydrogen 3.086 N/A TYR 234.A OH TYR 307.A OH no hydrogen 3.114 N/A GLN 235.A N ALA 231.A O no hydrogen 2.860 N/A GLN 235.A NE2 LYS 40.A O no hydrogen 2.630 N/A THR 236.A N ASN 232.A O no hydrogen 3.006 N/A THR 236.A OG1 TYR 120.A OH no hydrogen 2.780 N/A THR 236.A OG1 SER 184.A OG no hydrogen 3.190 N/A THR 236.A OG1 ASN 232.A O no hydrogen 2.819 N/A VAL 238.A N TYR 234.A O no hydrogen 3.120 N/A SER 239.A N GLN 235.A O no hydrogen 2.709 N/A SER 239.A OG GLN 235.A O no hydrogen 3.105 N/A SER 239.A OG THR 236.A O no hydrogen 3.020 N/A ILE 240.A N VAL 237.A O no hydrogen 3.455 N/A ASP 243.A N ILE 240.A O no hydrogen 3.015 N/A SER 246.A N ASP 243.A O no hydrogen 2.811 N/A LYS 248.A N ALA 245.A O no hydrogen 2.903 N/A TYR 249.A N ALA 245.A O no hydrogen 2.906 N/A LEU 250.A N SER 246.A O no hydrogen 2.932 N/A ASN 251.A ND2 GLY 308.A O no hydrogen 3.683 N/A ASP 253.A N TYR 249.A O no hydrogen 3.073 N/A LEU 254.A N LEU 250.A O no hydrogen 2.937 N/A ASN 255.A N ASN 251.A O no hydrogen 2.998 N/A ASN 256.A N THR 252.A O no hydrogen 3.169 N/A ALA 257.A N ASP 253.A O no hydrogen 2.921 N/A PHE 258.A N LEU 254.A O no hydrogen 2.825 N/A TRP 259.A N ASN 255.A O no hydrogen 3.003 N/A THR 260.A N ASN 256.A O no hydrogen 2.917 N/A THR 260.A OG1 ASN 256.A O no hydrogen 2.826 N/A GLN 261.A N ALA 257.A O no hydrogen 2.989 N/A GLN 261.A NE2 VAL 170.A O no hydrogen 3.512 N/A GLN 262.A N PHE 258.A O no hydrogen 2.920 N/A GLN 262.A NE2 TRP 259.A O no hydrogen 3.410 N/A LYS 263.A N TRP 259.A O no hydrogen 2.707 N/A LYS 263.A NZ SER 432.A OG no hydrogen 2.940 N/A LYS 263.A NZ ASP 433.A OD1 no hydrogen 2.883 N/A TYR 264.A N GLN 261.A O no hydrogen 3.300 N/A TYR 264.A OH LEU 163.A O no hydrogen 2.837 N/A PHE 265.A N GLN 261.A O no hydrogen 3.001 N/A THR 266.A N GLN 262.A O no hydrogen 2.962 N/A THR 266.A OG1 GLN 262.A O no hydrogen 3.034 N/A VAL 268.A N TYR 264.A O no hydrogen 3.110 N/A LEU 269.A N PHE 265.A O no hydrogen 3.044 N/A MET 271.A N PRO 267.A O no hydrogen 3.107 N/A LEU 272.A N VAL 268.A O no hydrogen 2.949 N/A PHE 273.A N LEU 269.A O no hydrogen 2.830 N/A GLU 274.A N GLY 270.A O no hydrogen 2.963 N/A TYR 275.A N MET 271.A O no hydrogen 2.996 N/A SER 277.A OG PHE 273.A O no hydrogen 2.683 N/A LYS 278.A NZ ASP 348.A OD1 no hydrogen 3.097 N/A LYS 278.A NZ GLU 350.A OE1 no hydrogen 2.712 N/A LYS 280.A NZ GLU 274.A O no hydrogen 3.058 N/A LYS 280.A NZ SER 277.A O no hydrogen 2.686 N/A LYS 280.A NZ SER 277.A OG no hydrogen 3.430 N/A LYS 280.A NZ GLU 351.A OE2 no hydrogen 2.894 N/A TRP 284.A N GLU 274.A OE2 no hydrogen 2.754 N/A VAL 285.A N TYR 359.A OH no hydrogen 3.056 N/A LYS 286.A N PRO 283.A O no hydrogen 3.176 N/A THR 287.A N PRO 283.A O no hydrogen 3.264 N/A THR 287.A OG1 GLU 282.A OE2 no hydrogen 2.589 N/A THR 287.A OG1 PRO 283.A O no hydrogen 3.263 N/A TRP 288.A N TRP 284.A O no hydrogen 2.748 N/A TRP 288.A NE1 THR 266.A OG1 no hydrogen 3.034 N/A ASP 289.A N VAL 285.A O no hydrogen 3.079 N/A ARG 290.A N LYS 286.A O no hydrogen 3.212 N/A ARG 290.A NH1 GLU 282.A OE1 no hydrogen 3.146 N/A ARG 290.A NH2 GLU 282.A OE1 no hydrogen 2.975 N/A ARG 290.A NH2 GLU 282.A OE2 no hydrogen 3.088 N/A TRP 291.A N THR 287.A O no hydrogen 3.095 N/A VAL 292.A N TRP 288.A O no hydrogen 2.797 N/A TYR 293.A N ASP 289.A O no hydrogen 2.925 N/A GLU 294.A N ASP 289.A O no hydrogen 3.149 N/A ASP 295.A N ARG 290.A O no hydrogen 2.691 N/A TRP 296.A N TRP 291.A O no hydrogen 2.831 N/A TRP 296.A NE1 LEU 189.A O no hydrogen 3.069 N/A GLY 297.A N VAL 292.A O no hydrogen 2.742 N/A GLY 298.A N GLU 294.A O no hydrogen 3.212 N/A ILE 299.A N GLU 294.A O no hydrogen 3.125 N/A TRP 300.A N ASP 295.A O no hydrogen 3.186 N/A ILE 301.A N TRP 296.A O no hydrogen 2.876 N/A GLY 302.A N GLY 298.A O no hydrogen 3.039 N/A ARG 303.A N ILE 299.A O no hydrogen 3.470 N/A LEU 304.A N ILE 301.A O no hydrogen 3.054 N/A GLY 305.A N GLY 302.A O no hydrogen 3.026 N/A LYS 306.A NZ TYR 307.A OH no hydrogen 3.344 N/A TYR 307.A N LEU 304.A O no hydrogen 3.054 N/A TYR 307.A OH TYR 234.A OH no hydrogen 3.114 N/A GLY 308.A N GLY 305.A O no hydrogen 2.884 N/A VAL 309.A N LEU 304.A O no hydrogen 3.373 N/A SER 314.A N ASN 255.A OD1 no hydrogen 3.145 N/A SER 314.A OG ASN 255.A OD1 no hydrogen 3.248 N/A LEU 315.A N PRO 312.A O no hydrogen 3.214 N/A ALA 318.A N SER 314.A O no hydrogen 2.920 N/A LYS 319.A N LEU 315.A O no hydrogen 2.963 N/A LYS 319.A NZ ASP 289.A OD2 no hydrogen 2.764 N/A GLN 320.A N LYS 316.A O no hydrogen 2.914 N/A ASP 321.A N ASP 317.A O no hydrogen 2.684 N/A ALA 322.A N LYS 319.A O no hydrogen 3.025 N/A ALA 325.A N ALA 322.A O no hydrogen 2.850 N/A ASP 328.A N TRP 324.A O no hydrogen 2.863 N/A LEU 329.A N ALA 325.A O no hydrogen 3.024 N/A TYR 330.A N HIS 326.A O no hydrogen 3.085 N/A TYR 330.A OH ALA 345.A O no hydrogen 2.880 N/A ALA 333.A N LEU 329.A O no hydrogen 2.794 N/A TYR 334.A N TYR 330.A O no hydrogen 2.890 N/A TYR 334.A OH PRO 482.A O no hydrogen 2.776 N/A ALA 335.A N LEU 331.A O no hydrogen 3.017 N/A LEU 336.A N LEU 332.A O no hydrogen 2.898 N/A TRP 337.A N TYR 334.A O no hydrogen 2.972 N/A THR 339.A N LEU 336.A O no hydrogen 2.936 N/A THR 339.A OG1 LEU 336.A O no hydrogen 2.717 N/A GLY 340.A N TRP 337.A O no hydrogen 3.272 N/A ARG 343.A N GLU 84.A OE1 no hydrogen 2.657 N/A ARG 343.A NH1 GLU 84.A OE2 no hydrogen 2.735 N/A ARG 343.A NH1 ASP 147.A OD2 no hydrogen 3.540 N/A LEU 344.A N GLN 481.A O no hydrogen 3.027 N/A ASP 348.A N GLU 351.A OE1 no hydrogen 2.728 N/A GLU 351.A N ASP 348.A OD2 no hydrogen 2.602 N/A MET 352.A N ASP 348.A O no hydrogen 2.832 N/A GLU 353.A N GLN 349.A O no hydrogen 3.210 N/A TRP 354.A N GLU 350.A O no hydrogen 3.324 N/A PHE 355.A N GLU 351.A O no hydrogen 2.818 N/A GLU 356.A N MET 352.A O no hydrogen 2.921 N/A ALA 357.A N GLU 353.A O no hydrogen 2.839 N/A ASN 358.A N TRP 354.A O no hydrogen 3.060 N/A ASN 358.A ND2 TRP 354.A O no hydrogen 2.617 N/A TYR 359.A N PHE 355.A O no hydrogen 2.657 N/A TYR 359.A OH GLU 274.A OE2 no hydrogen 2.708 N/A GLY 361.A N GLU 356.A OE1 no hydrogen 3.284 N/A TRP 362.A N TYR 359.A O no hydrogen 2.964 N/A TRP 362.A NE1 TYR 275.A OH no hydrogen 2.946 N/A TYR 363.A N GLU 356.A OE2 no hydrogen 2.792 N/A TYR 363.A OH GLU 371.A OE1 no hydrogen 3.186 N/A TYR 363.A OH GLU 371.A OE2 no hydrogen 2.621 N/A TYR 366.A OH ASP 328.A OD2 no hydrogen 2.767 N/A GLY 367.A N TRP 362.A O no hydrogen 3.043 N/A LYS 368.A N TYR 363.A O no hydrogen 3.017 N/A TYR 370.A N TYR 366.A O no hydrogen 2.979 N/A GLU 371.A N GLY 367.A O no hydrogen 3.056 N/A GLU 372.A N LYS 368.A O no hydrogen 2.971 N/A TRP 373.A N ILE 369.A O no hydrogen 2.959 N/A ARG 374.A N TYR 370.A O no hydrogen 2.878 N/A ALA 375.A N GLU 371.A O no hydrogen 2.996 N/A ARG 376.A N GLU 372.A O no hydrogen 2.780 N/A ARG 376.A NH1 GLU 393.A OE1 no hydrogen 3.091 N/A ARG 376.A NH2 GLU 393.A OE1 no hydrogen 3.416 N/A ARG 376.A NH2 GLU 393.A OE2 no hydrogen 2.857 N/A GLY 377.A N ARG 374.A O no hydrogen 2.758 N/A CYS 378.A N TRP 373.A O no hydrogen 2.913 N/A CYS 378.A SG TYR 334.A OH no hydrogen 3.250 N/A CYS 378.A SG TRP 373.A O no hydrogen 3.246 N/A ASP 380.A N GLY 377.A O no hydrogen 3.028 N/A SER 382.A N ASP 380.A OD1 no hydrogen 2.505 N/A SER 382.A OG ASP 380.A OD1 no hydrogen 2.572 N/A SER 383.A N ASP 380.A O no hydrogen 3.157 N/A SER 383.A OG GLY 377.A O no hydrogen 2.618 N/A SER 383.A OG ASP 380.A O no hydrogen 2.700 N/A PHE 385.A N SER 383.A OG no hydrogen 3.066 N/A MET 389.A N ILE 386.A O no hydrogen 2.661 N/A TRP 390.A N PRO 387.A O no hydrogen 2.803 N/A TRP 390.A NE1 GLU 372.A OE2 no hydrogen 3.030 N/A PHE 391.A N PRO 387.A O no hydrogen 3.407 N/A PHE 391.A N LEU 388.A O no hydrogen 2.749 N/A ILE 392.A N LEU 388.A O no hydrogen 3.181 N/A GLU 393.A N MET 389.A O no hydrogen 2.983 N/A ASN 394.A N TRP 390.A O no hydrogen 3.146 N/A ASN 394.A ND2 TRP 390.A O no hydrogen 3.136 N/A ASN 395.A N ILE 392.A O no hydrogen 3.106 N/A HIS 396.A N PHE 391.A O no hydrogen 2.682 N/A TYR 399.A N PHE 408.A O no hydrogen 2.812 N/A ASP 401.A N VAL 406.A O no hydrogen 3.419 N/A ARG 402.A N THR 430.A O no hydrogen 3.085 N/A ARG 402.A NE HIS 429.A ND1 no hydrogen 2.714 N/A ARG 402.A NH1 CYS 449.A O no hydrogen 2.859 N/A ARG 402.A NH1 GLU 454.A OE1 no hydrogen 3.358 N/A ARG 402.A NH1 GLU 454.A OE2 no hydrogen 3.033 N/A ARG 402.A NH2 MET 428.A O no hydrogen 3.093 N/A ARG 402.A NH2 HIS 429.A ND1 no hydrogen 3.427 N/A ARG 402.A NH2 GLU 454.A OE1 no hydrogen 2.672 N/A SER 404.A N ASP 401.A OD2 no hydrogen 2.731 N/A SER 404.A OG ASP 401.A OD2 no hydrogen 2.899 N/A GLN 405.A N ASP 401.A O no hydrogen 2.855 N/A GLN 405.A NE2 ARG 402.A O no hydrogen 2.776 N/A GLN 405.A NE2 VAL 403.A O no hydrogen 2.983 N/A VAL 406.A N SER 404.A OG no hydrogen 3.016 N/A PHE 408.A N TYR 399.A O no hydrogen 2.947 N/A CYS 409.A SG HIS 396.A O no hydrogen 3.691 N/A CYS 409.A SG PRO 397.A O no hydrogen 3.347 N/A LEU 412.A N CYS 409.A O no hydrogen 3.107 N/A ALA 413.A N CYS 409.A O no hydrogen 2.934 N/A LYS 414.A N ASP 328.A OD2 no hydrogen 2.885 N/A GLY 415.A N ASP 328.A OD1 no hydrogen 2.850 N/A ARG 420.A N PHE 431.A O no hydrogen 3.128 N/A ARG 420.A NH1 GLU 437.A OE2 no hydrogen 2.560 N/A HIS 422.A N HIS 429.A O no hydrogen 2.973 N/A TYR 424.A N GLU 427.A O no hydrogen 2.875 N/A GLU 427.A N TYR 424.A O no hydrogen 2.996 N/A HIS 429.A N HIS 422.A O no hydrogen 2.885 N/A THR 430.A OG1 ILE 400.A O no hydrogen 2.908 N/A PHE 431.A N ARG 420.A O no hydrogen 2.884 N/A GLY 436.A N ASP 433.A OD2 no hydrogen 2.623 N/A GLU 437.A N ASP 433.A O no hydrogen 3.086 N/A ARG 438.A N GLN 434.A O no hydrogen 3.215 N/A MET 439.A N TRP 435.A O no hydrogen 3.052 N/A TRP 440.A N GLY 436.A O no hydrogen 3.097 N/A LEU 441.A N GLU 437.A O no hydrogen 2.927 N/A ALA 442.A N ARG 438.A O no hydrogen 2.887 N/A GLU 443.A N MET 439.A O no hydrogen 2.756 N/A GLU 445.A N GLU 445.A OE1 no hydrogen 2.663 N/A ARG 446.A N GLU 443.A O no hydrogen 2.873 N/A ARG 446.A NH1 GLU 182.A OE1 no hydrogen 3.441 N/A ARG 446.A NH1 GLU 443.A OE1 no hydrogen 2.723 N/A ARG 446.A NH2 SER 177.A O no hydrogen 2.919 N/A ARG 446.A NH2 GLU 182.A OE2 no hydrogen 2.823 N/A TYR 447.A N PRO 444.A O no hydrogen 3.238 N/A CYS 449.A SG GLN 405.A OE1 no hydrogen 3.786 N/A CYS 449.A SG GLN 450.A O no hydrogen 3.993 N/A GLN 450.A N GLN 450.A OE1 no hydrogen 2.691 N/A ASN 451.A N GLU 454.A OE2 no hydrogen 2.705 N/A GLU 454.A N ASN 451.A OD1 no hydrogen 2.823 N/A GLN 455.A N ASN 451.A O no hydrogen 2.958 N/A TYR 456.A N ILE 452.A O no hydrogen 2.664 N/A TYR 456.A OH ILE 160.A O no hydrogen 2.785 N/A GLY 458.A N PHE 502.A O no hydrogen 2.952 N/A ARG 459.A N TYR 456.A O no hydrogen 2.759 N/A ARG 459.A NH2 GLU 467.A OE2 no hydrogen 3.340 N/A LEU 461.A N CYS 500.A O no hydrogen 2.835 N/A SER 462.A N GLU 460.A OE2 no hydrogen 2.842 N/A SER 462.A OG GLU 460.A OE1 no hydrogen 2.539 N/A GLU 463.A N GLU 460.A O no hydrogen 2.960 N/A VAL 464.A N GLU 460.A O no hydrogen 3.390 N/A ILE 465.A N LEU 461.A O no hydrogen 3.159 N/A ALA 466.A N SER 462.A O no hydrogen 3.011 N/A GLU 467.A N GLU 463.A O no hydrogen 2.936 N/A LEU 468.A N VAL 464.A O no hydrogen 3.114 N/A HIS 469.A N ALA 466.A O no hydrogen 3.039 N/A GLY 470.A N ILE 465.A O no hydrogen 2.796 N/A ARG 472.A N THR 477.A O no hydrogen 2.879 N/A ARG 472.A NE LEU 478.A O no hydrogen 2.908 N/A ARG 472.A NH1 ASP 147.A OD1 no hydrogen 2.717 N/A ARG 472.A NH2 ASP 147.A OD1 no hydrogen 3.359 N/A ARG 472.A NH2 ASP 147.A OD2 no hydrogen 2.864 N/A ARG 472.A NH2 ILE 479.A O no hydrogen 3.113 N/A GLY 475.A N ARG 472.A O no hydrogen 2.891 N/A LYS 476.A N ASP 474.A OD2 no hydrogen 2.714 N/A THR 477.A N ASP 474.A OD2 no hydrogen 2.841 N/A THR 477.A OG1 ASP 474.A OD1 no hydrogen 2.356 N/A LEU 478.A N TRP 490.A O no hydrogen 3.004 N/A ILE 479.A N GLY 470.A O no hydrogen 3.064 N/A GLN 481.A NE2 LEU 478.A O no hydrogen 2.955 N/A GLN 481.A NE2 TRP 490.A O no hydrogen 3.053 N/A HIS 483.A NE2 LYS 488.A O no hydrogen 2.822 N/A ARG 485.A N HIS 483.A ND1 no hydrogen 2.898 N/A ARG 485.A NH1 GLU 379.A OE1 no hydrogen 2.748 N/A ARG 485.A NH2 GLU 379.A OE1 no hydrogen 2.657 N/A TRP 490.A N GLN 481.A OE1 no hydrogen 2.638 N/A TRP 490.A NE1 GLU 379.A O no hydrogen 3.086 N/A THR 491.A N ASP 494.A OD2 no hydrogen 2.736 N/A THR 491.A OG1 ASP 494.A OD2 no hydrogen 3.018 N/A LEU 492.A N LYS 476.A O no hydrogen 2.768 N/A ASP 494.A N THR 491.A O no hydrogen 3.059 N/A ASP 494.A N THR 491.A OG1 no hydrogen 3.194 N/A ILE 495.A N LEU 492.A O no hydrogen 3.028 N/A LYS 496.A N LEU 492.A O no hydrogen 2.917 N/A ARG 497.A N ASP 493.A O no hydrogen 3.037 N/A ASN 499.A N LYS 496.A O no hydrogen 2.570 N/A PHE 502.A N ARG 459.A O no hydrogen 2.991 N/A VAL 506.A N ASN 504.A OD1 no hydrogen 3.166 N/A LYS 507.A N ASN 504.A O no hydrogen 3.073 N/A LYS 507.A NZ GLU 457.A OE1 no hydrogen 2.917 N/A LYS 507.A NZ GLU 457.A OE2 no hydrogen 3.333 N/A PHE 509.A N VAL 506.A O no hydrogen 3.205 N/A