Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mw9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ VAL 4.A O no hydrogen 2.787 N/A LYS 3.A NZ ARG 270.A O no hydrogen 2.924 N/A LYS 3.A NZ PRO 272.A O no hydrogen 3.521 N/A LYS 3.A NZ ASP 274.A OD2 no hydrogen 2.721 N/A VAL 4.A N GLU 269.A O no hydrogen 2.898 N/A PHE 5.A N ARG 42.A O no hydrogen 2.746 N/A PHE 6.A N ASP 274.A OD2 no hydrogen 2.820 N/A VAL 7.A N PHE 44.A O no hydrogen 3.148 N/A THR 8.A N VAL 275.A O no hydrogen 3.076 N/A THR 8.A OG1 HIS 276.A ND1 no hydrogen 2.727 N/A SER 9.A N LEU 46.A O no hydrogen 2.934 N/A SER 9.A OG PRO 10.A O no hydrogen 2.675 N/A SER 9.A OG TYR 12.A OH no hydrogen 3.416 N/A SER 9.A OG THR 47.A OG1 no hydrogen 2.683 N/A TYR 12.A N GLY 48.A O no hydrogen 2.880 N/A TYR 12.A OH THR 26.A OG1 no hydrogen 2.557 N/A HIS 19.A N HIS 22.A ND1 no hydrogen 3.175 N/A GLY 21.A N HIS 19.A ND1 no hydrogen 3.194 N/A HIS 22.A N HIS 19.A O no hydrogen 3.212 N/A VAL 23.A N HIS 19.A O no hydrogen 3.218 N/A TYR 24.A N ILE 20.A O no hydrogen 2.792 N/A SER 25.A N GLY 21.A O no hydrogen 2.982 N/A SER 25.A OG GLY 21.A O no hydrogen 3.499 N/A SER 25.A OG HIS 308.A NE2 no hydrogen 2.717 N/A THR 26.A N HIS 22.A O no hydrogen 3.033 N/A THR 26.A OG1 TYR 12.A OH no hydrogen 2.557 N/A THR 26.A OG1 HIS 22.A O no hydrogen 3.145 N/A THR 26.A OG1 THR 47.A OG1 no hydrogen 3.363 N/A LEU 27.A N VAL 23.A O no hydrogen 2.871 N/A ILE 28.A N TYR 24.A O no hydrogen 3.072 N/A THR 29.A N SER 25.A O no hydrogen 3.187 N/A THR 29.A OG1 SER 25.A O no hydrogen 3.217 N/A ASP 30.A N THR 26.A O no hydrogen 2.765 N/A VAL 31.A N LEU 27.A O no hydrogen 2.904 N/A ILE 32.A N ILE 28.A O no hydrogen 3.141 N/A GLY 33.A N THR 29.A O no hydrogen 3.132 N/A ARG 34.A N ASP 30.A O no hydrogen 2.834 N/A ARG 34.A NE ASP 30.A OD2 no hydrogen 2.785 N/A TYR 35.A N VAL 31.A O no hydrogen 2.819 N/A TYR 35.A OH ASP 416.A OD1 no hydrogen 2.620 N/A HIS 36.A N ILE 32.A O no hydrogen 3.213 N/A HIS 36.A ND1 GLU 41.A OE1 no hydrogen 2.766 N/A ARG 37.A N GLY 33.A O no hydrogen 3.039 N/A ARG 37.A NH2 SER 88.A O no hydrogen 2.913 N/A ARG 37.A NH2 ASP 90.A OD2 no hydrogen 2.994 N/A VAL 38.A N ARG 34.A O no hydrogen 3.103 N/A LYS 39.A N TYR 35.A O no hydrogen 3.147 N/A LYS 39.A NZ ASP 416.A OD1 no hydrogen 2.823 N/A GLY 40.A N ARG 37.A O no hydrogen 2.900 N/A GLU 41.A N HIS 36.A O no hydrogen 2.960 N/A ARG 42.A NE GLU 2.A OE2 no hydrogen 3.349 N/A ARG 42.A NH1 GLU 269.A OE1 no hydrogen 3.197 N/A ARG 42.A NH1 GLU 269.A OE2 no hydrogen 3.453 N/A ARG 42.A NH2 GLU 2.A OE2 no hydrogen 2.872 N/A ARG 42.A NH2 GLU 269.A OE1 no hydrogen 3.324 N/A PHE 44.A N PHE 5.A O no hydrogen 2.822 N/A ALA 45.A N ASP 90.A OD2 no hydrogen 2.684 N/A LEU 46.A N VAL 7.A O no hydrogen 2.938 N/A THR 47.A N TYR 91.A O no hydrogen 3.121 N/A THR 47.A OG1 SER 9.A OG no hydrogen 2.683 N/A THR 47.A OG1 THR 26.A OG1 no hydrogen 3.363 N/A THR 49.A N ILE 93.A O no hydrogen 2.887 N/A THR 49.A OG1 GLU 51.A OE2 no hydrogen 2.688 N/A ASP 50.A N TYR 12.A O no hydrogen 2.758 N/A GLU 51.A N THR 95.A OG1 no hydrogen 2.740 N/A HIS 52.A ND1 ASP 239.A OD2 no hydrogen 2.559 N/A GLY 53.A N TRP 222.A O no hydrogen 3.018 N/A GLN 54.A NE2 GLU 58.A OE2 no hydrogen 3.218 N/A LYS 55.A N GLU 131.A OE2 no hydrogen 3.157 N/A LYS 55.A NZ SER 129.A O no hydrogen 2.771 N/A ALA 57.A N GLY 53.A O no hydrogen 2.939 N/A GLU 58.A N GLN 54.A O no hydrogen 2.756 N/A ALA 59.A N LYS 55.A O no hydrogen 2.881 N/A ALA 60.A N VAL 56.A O no hydrogen 3.034 N/A LYS 61.A N ALA 57.A O no hydrogen 3.113 N/A LYS 61.A N GLU 58.A O no hydrogen 3.251 N/A GLN 62.A N GLU 58.A O no hydrogen 3.158 N/A LYS 63.A N ALA 59.A O no hydrogen 3.319 N/A GLN 64.A N LYS 61.A O no hydrogen 3.046 N/A VAL 65.A N ALA 60.A O no hydrogen 3.194 N/A ASP 69.A N SER 66.A OG no hydrogen 3.247 N/A PHE 70.A N SER 66.A O no hydrogen 2.888 N/A THR 71.A N PRO 67.A O no hydrogen 2.928 N/A THR 71.A OG1 PRO 67.A O no hydrogen 2.654 N/A THR 71.A OG1 TYR 68.A O no hydrogen 2.970 N/A THR 72.A N TYR 68.A O no hydrogen 3.159 N/A THR 72.A OG1 TYR 68.A O no hydrogen 2.695 N/A ALA 73.A N ASP 69.A O no hydrogen 3.077 N/A VAL 74.A N PHE 70.A O no hydrogen 2.998 N/A ALA 75.A N THR 71.A O no hydrogen 2.821 N/A GLY 76.A N THR 72.A O no hydrogen 3.096 N/A GLU 77.A N ALA 73.A O no hydrogen 3.075 N/A PHE 78.A N VAL 74.A O no hydrogen 2.974 N/A LYS 79.A N ALA 75.A O no hydrogen 2.925 N/A LYS 80.A N GLY 76.A O no hydrogen 3.039 N/A CYS 81.A N GLU 77.A O no hydrogen 2.990 N/A PHE 82.A N PHE 78.A O no hydrogen 2.955 N/A GLU 83.A N LYS 79.A O no hydrogen 2.815 N/A GLN 84.A N LYS 80.A O no hydrogen 2.823 N/A GLN 84.A NE2 TYR 337.A OH no hydrogen 2.838 N/A MET 85.A N CYS 81.A O no hydrogen 2.899 N/A ASP 86.A N GLU 83.A O no hydrogen 3.050 N/A SER 88.A N ASP 30.A OD1 no hydrogen 2.779 N/A ASP 90.A N ALA 45.A O no hydrogen 2.938 N/A TYR 91.A N ALA 45.A O no hydrogen 3.327 N/A ILE 93.A N THR 47.A O no hydrogen 2.819 N/A ARG 94.A NE GLU 51.A OE1 no hydrogen 3.235 N/A ARG 94.A NE GLU 51.A OE2 no hydrogen 2.706 N/A ARG 94.A NH2 GLU 51.A OE1 no hydrogen 2.970 N/A ARG 94.A NH2 THR 72.A OG1 no hydrogen 3.410 N/A THR 95.A N THR 49.A O no hydrogen 3.326 N/A THR 96.A OG1 GLU 51.A OE1 no hydrogen 2.643 N/A ASN 97.A N ARG 94.A O no hydrogen 2.944 N/A ASN 97.A ND2 GLU 258.A OE1 no hydrogen 3.145 N/A GLN 99.A NE2 GLU 258.A OE1 no hydrogen 2.510 N/A HIS 100.A N ASN 97.A OD1 no hydrogen 2.995 N/A HIS 100.A ND1 THR 246.A OG1 no hydrogen 2.919 N/A HIS 100.A NE2 ASP 239.A OD1 no hydrogen 2.665 N/A LYS 101.A N ASN 97.A O no hydrogen 3.092 N/A LYS 101.A NZ HIS 52.A NE2 no hydrogen 3.402 N/A ALA 102.A N GLU 98.A O no hydrogen 3.236 N/A VAL 103.A N GLN 99.A O no hydrogen 3.159 N/A VAL 104.A N HIS 100.A O no hydrogen 3.036 N/A LYS 105.A N LYS 101.A O no hydrogen 3.181 N/A GLU 106.A N ALA 102.A O no hydrogen 3.083 N/A LEU 107.A N VAL 103.A O no hydrogen 2.963 N/A TRP 108.A N VAL 104.A O no hydrogen 2.767 N/A THR 109.A N LYS 105.A O no hydrogen 3.073 N/A THR 109.A OG1 LYS 105.A O no hydrogen 2.882 N/A LYS 110.A N GLU 106.A O no hydrogen 2.912 N/A LEU 111.A N LEU 107.A O no hydrogen 2.968 N/A GLU 112.A N TRP 108.A O no hydrogen 2.920 N/A GLN 113.A N THR 109.A O no hydrogen 2.811 N/A LYS 114.A N LYS 110.A O no hydrogen 2.993 N/A GLY 115.A N GLU 112.A O no hydrogen 2.824 N/A ASP 116.A N LEU 111.A O no hydrogen 3.066 N/A TYR 118.A N MET 169.A O no hydrogen 2.971 N/A TYR 118.A OH ASP 209.A OD2 no hydrogen 2.626 N/A GLY 120.A N ASN 167.A O no hydrogen 2.832 N/A ARG 121.A NE GLU 123.A OE2 no hydrogen 2.939 N/A ARG 121.A NH2 SER 164.A OG no hydrogen 3.168 N/A TYR 122.A N GLU 165.A O no hydrogen 3.001 N/A TYR 122.A OH TRP 125.A O no hydrogen 2.716 N/A GLY 124.A N VAL 163.A O no hydrogen 2.978 N/A TYR 126.A N THR 161.A O no hydrogen 2.888 N/A TYR 126.A OH GLU 131.A OE1 no hydrogen 2.660 N/A SER 127.A N SER 132.A O no hydrogen 2.867 N/A SER 127.A OG ASP 130.A OD2 no hydrogen 2.858 N/A ASP 130.A N SER 127.A OG no hydrogen 3.271 N/A GLU 131.A N ILE 128.A O no hydrogen 3.095 N/A SER 132.A N SER 127.A O no hydrogen 2.998 N/A SER 132.A OG PHE 133.A O no hydrogen 3.516 N/A LEU 134.A N TRP 125.A O no hydrogen 3.173 N/A THR 135.A OG1 GLN 137.A OE1 no hydrogen 3.415 N/A THR 135.A OG1 ASN 138.A OD1 no hydrogen 3.339 N/A ASN 138.A N THR 135.A O no hydrogen 2.892 N/A ILE 139.A N PRO 136.A O no hydrogen 3.141 N/A THR 140.A N VAL 152.A O no hydrogen 2.964 N/A ASP 141.A N THR 140.A OG1 no hydrogen 2.802 N/A GLY 142.A N CYS 150.A O no hydrogen 3.134 N/A ASP 144.A N ASP 144.A OD1 no hydrogen 2.581 N/A GLY 147.A N ASP 144.A O no hydrogen 3.081 N/A GLY 147.A N ASP 144.A OD1 no hydrogen 3.118 N/A ASN 148.A N ASP 144.A OD1 no hydrogen 2.579 N/A CYS 150.A N GLY 142.A O no hydrogen 3.034 N/A CYS 150.A SG LYS 151.A O no hydrogen 3.453 N/A LYS 151.A NZ ASP 141.A OD1 no hydrogen 3.127 N/A VAL 152.A N THR 140.A O no hydrogen 2.812 N/A SER 153.A N HIS 158.A O no hydrogen 2.885 N/A LEU 154.A N ASN 138.A O no hydrogen 2.955 N/A SER 156.A N SER 153.A OG no hydrogen 3.146 N/A SER 156.A OG ASP 130.A OD1 no hydrogen 3.396 N/A SER 156.A OG ASP 130.A OD2 no hydrogen 2.645 N/A GLY 157.A N SER 153.A O no hydrogen 2.739 N/A VAL 160.A N LYS 151.A O no hydrogen 3.131 N/A THR 161.A N TYR 126.A O no hydrogen 2.921 N/A THR 161.A OG1 TYR 126.A O no hydrogen 3.493 N/A VAL 163.A N GLY 124.A O no hydrogen 2.754 N/A GLU 165.A N TYR 122.A O no hydrogen 3.148 N/A ASN 167.A N GLY 120.A O no hydrogen 2.843 N/A ASN 167.A ND2 GLU 165.A OE1 no hydrogen 3.049 N/A ASN 167.A ND2 GLU 166.A O no hydrogen 2.892 N/A TYR 168.A N SER 213.A OG no hydrogen 2.778 N/A MET 169.A N TYR 118.A O no hydrogen 2.619 N/A PHE 170.A N LEU 210.A O no hydrogen 2.654 N/A ARG 171.A N ASP 116.A O no hydrogen 2.927 N/A ARG 171.A NE GLY 115.A O no hydrogen 2.777 N/A LEU 172.A N PHE 170.A O no hydrogen 2.947 N/A SER 173.A N ASP 209.A OD1 no hydrogen 3.025 N/A SER 173.A OG ASP 209.A OD1 no hydrogen 2.846 N/A ALA 174.A N ARG 171.A O no hydrogen 3.074 N/A PHE 175.A N LEU 172.A O no hydrogen 2.893 N/A ARG 176.A NE VAL 203.A O no hydrogen 3.121 N/A ARG 176.A NE GLU 204.A O no hydrogen 3.132 N/A ARG 176.A NH2 GLU 204.A O no hydrogen 2.748 N/A ARG 178.A NH2 ALA 174.A O no hydrogen 3.351 N/A LEU 179.A N PHE 175.A O no hydrogen 3.040 N/A LEU 180.A N ARG 176.A O no hydrogen 3.022 N/A GLU 181.A N GLU 177.A O no hydrogen 3.101 N/A TRP 182.A N ARG 178.A O no hydrogen 2.979 N/A TYR 183.A N LEU 179.A O no hydrogen 2.971 N/A TYR 183.A OH ALA 287.A O no hydrogen 2.628 N/A HIS 184.A N LEU 180.A O no hydrogen 3.092 N/A ALA 185.A N GLU 181.A O no hydrogen 2.805 N/A ASN 186.A N TRP 182.A O no hydrogen 3.112 N/A ASN 186.A ND2 TRP 182.A O no hydrogen 2.935 N/A CYS 189.A N ASN 186.A O no hydrogen 2.895 N/A CYS 189.A SG ASN 186.A O no hydrogen 3.115 N/A VAL 191.A N ILE 305.A O no hydrogen 2.910 N/A ARG 195.A NH1 PHE 350.A O no hydrogen 2.960 N/A ARG 196.A N PRO 192.A O no hydrogen 3.223 N/A ARG 196.A NH1 GLU 193.A OE1 no hydrogen 3.062 N/A ARG 196.A NH2 TYR 183.A O no hydrogen 3.411 N/A ARG 197.A N GLU 193.A O no hydrogen 2.864 N/A GLU 198.A N PHE 194.A O no hydrogen 2.942 N/A VAL 199.A N ARG 195.A O no hydrogen 3.140 N/A ILE 200.A N ARG 196.A O no hydrogen 3.242 N/A ARG 201.A N ARG 197.A O no hydrogen 3.034 N/A ALA 202.A N GLU 198.A O no hydrogen 3.100 N/A VAL 203.A N VAL 199.A O no hydrogen 3.041 N/A GLU 204.A N ILE 200.A O no hydrogen 2.753 N/A LYS 205.A N ARG 201.A O no hydrogen 3.394 N/A LEU 210.A N PHE 170.A O no hydrogen 2.959 N/A SER 211.A OG ASN 167.A OD1 no hydrogen 2.643 N/A VAL 212.A N TYR 168.A O no hydrogen 2.960 N/A SER 213.A OG HIS 232.A ND1 no hydrogen 2.907 N/A ARG 214.A N CYS 233.A O no hydrogen 2.951 N/A ARG 214.A NE GLU 165.A OE1 no hydrogen 3.219 N/A ARG 214.A NE GLU 165.A OE2 no hydrogen 3.272 N/A ARG 214.A NH2 GLU 165.A OE2 no hydrogen 3.153 N/A ALA 215.A N GLU 165.A OE1 no hydrogen 2.789 N/A ARG 216.A N ASP 231.A O no hydrogen 2.844 N/A ARG 216.A NH1 ASN 221.A OD1 no hydrogen 2.980 N/A THR 218.A OG1 GLU 165.A OE2 no hydrogen 3.166 N/A THR 218.A OG1 ALA 215.A O no hydrogen 3.432 N/A HIS 220.A N ALA 217.A O no hydrogen 2.927 N/A HIS 220.A NE2 GLU 58.A OE2 no hydrogen 3.315 N/A ASN 221.A N ARG 216.A O no hydrogen 3.167 N/A TRP 222.A N LEU 219.A O no hydrogen 3.036 N/A TRP 222.A NE1 GLU 51.A O no hydrogen 2.863 N/A VAL 226.A N HIS 232.A O no hydrogen 2.933 N/A ASN 229.A N VAL 226.A O no hydrogen 2.982 N/A ASN 229.A ND2 TYR 168.A OH no hydrogen 2.616 N/A ASP 231.A N ASN 229.A OD1 no hydrogen 3.237 N/A HIS 232.A N ASN 229.A O no hydrogen 3.135 N/A HIS 232.A ND1 SER 213.A OG no hydrogen 2.907 N/A CYS 233.A N ARG 214.A O no hydrogen 2.909 N/A VAL 234.A N ILE 224.A O no hydrogen 2.751 N/A TYR 235.A N VAL 212.A O no hydrogen 2.716 N/A TYR 235.A OH GLU 131.A O no hydrogen 2.707 N/A TRP 237.A NE1 ASP 130.A O no hydrogen 3.335 N/A ASP 239.A N TYR 235.A O no hydrogen 3.067 N/A ALA 240.A N VAL 236.A O no hydrogen 2.715 N/A LEU 241.A N TRP 237.A O no hydrogen 2.915 N/A THR 242.A N LEU 238.A O no hydrogen 3.304 N/A THR 242.A OG1 LEU 238.A O no hydrogen 2.561 N/A ASN 243.A N ALA 240.A O no hydrogen 2.874 N/A ASN 243.A ND2 ALA 240.A O no hydrogen 2.915 N/A TYR 244.A N LEU 241.A O no hydrogen 3.218 N/A TYR 244.A OH HIS 286.A NE2 no hydrogen 2.785 N/A THR 246.A N THR 242.A O no hydrogen 2.922 N/A THR 246.A OG1 HIS 100.A ND1 no hydrogen 2.919 N/A THR 246.A OG1 THR 242.A O no hydrogen 3.224 N/A GLY 247.A N ASN 243.A O no hydrogen 2.808 N/A SER 248.A N TYR 244.A O no hydrogen 3.121 N/A SER 248.A OG LEU 245.A O no hydrogen 2.616 N/A ARG 249.A N THR 246.A O no hydrogen 2.759 N/A ARG 249.A NE VAL 262.A O no hydrogen 2.767 N/A ARG 249.A NH1 GLU 106.A OE2 no hydrogen 2.874 N/A ARG 249.A NH2 GLU 106.A OE1 no hydrogen 3.568 N/A ARG 249.A NH2 GLU 106.A OE2 no hydrogen 3.376 N/A ARG 249.A NH2 VAL 262.A O no hydrogen 2.850 N/A LEU 250.A N GLY 247.A O no hydrogen 3.424 N/A ARG 251.A N SER 260.A O no hydrogen 3.082 N/A ARG 251.A NH2 GLU 267.A OE2 no hydrogen 3.335 N/A ASP 253.A N LYS 257.A O no hydrogen 3.059 N/A GLY 256.A N ASP 253.A O no hydrogen 3.059 N/A GLY 256.A N ASP 253.A OD1 no hydrogen 2.998 N/A LYS 257.A N ASP 253.A OD1 no hydrogen 3.163 N/A VAL 259.A N ARG 251.A O no hydrogen 2.952 N/A VAL 262.A N ARG 249.A O no hydrogen 3.035 N/A ASN 266.A N ASP 264.A OD1 no hydrogen 3.265 N/A ASN 266.A ND2 ASP 264.A OD1 no hydrogen 3.165 N/A GLU 267.A N ASP 264.A O no hydrogen 2.938 N/A LEU 268.A N PHE 265.A O no hydrogen 3.089 N/A GLU 269.A N PHE 265.A O no hydrogen 3.303 N/A ARG 270.A NH1 GLY 247.A O no hydrogen 2.898 N/A ARG 270.A NH1 LEU 250.A O no hydrogen 2.835 N/A ARG 270.A NH2 LEU 250.A O no hydrogen 3.457 N/A ASP 274.A N PHE 6.A O no hydrogen 2.796 N/A VAL 275.A N PHE 6.A O no hydrogen 3.288 N/A HIS 276.A N LYS 304.A O no hydrogen 2.928 N/A HIS 276.A ND1 THR 8.A OG1 no hydrogen 2.727 N/A VAL 277.A N THR 8.A O no hydrogen 2.810 N/A ILE 278.A N VAL 306.A O no hydrogen 2.911 N/A LYS 280.A N HIS 308.A O no hydrogen 2.972 N/A LYS 280.A NZ ASP 353.A OD1 no hydrogen 3.096 N/A LYS 280.A NZ ASP 353.A OD2 no hydrogen 3.082 N/A ILE 282.A N GLY 279.A O no hydrogen 3.097 N/A LEU 283.A N LYS 280.A O no hydrogen 3.320 N/A LYS 284.A NZ SER 132.A OG no hydrogen 2.688 N/A HIS 286.A ND1 ILE 282.A O no hydrogen 2.980 N/A HIS 286.A NE2 TYR 244.A OH no hydrogen 2.785 N/A ALA 287.A N LEU 283.A O no hydrogen 2.835 N/A ILE 288.A N LYS 284.A O no hydrogen 2.966 N/A TYR 289.A N LYS 284.A O no hydrogen 3.177 N/A TRP 290.A N PHE 285.A O no hydrogen 2.959 N/A TRP 290.A NE1 HIS 276.A NE2 no hydrogen 3.199 N/A ALA 292.A N ILE 288.A O no hydrogen 3.326 N/A PHE 293.A N TYR 289.A O no hydrogen 2.880 N/A LEU 294.A N TRP 290.A O no hydrogen 2.921 N/A LEU 295.A N PRO 291.A O no hydrogen 2.804 N/A SER 296.A N ALA 292.A O no hydrogen 2.900 N/A SER 296.A OG ASP 116.A OD2 no hydrogen 2.448 N/A ALA 297.A N PHE 293.A O no hydrogen 2.847 N/A GLY 298.A N LEU 295.A O no hydrogen 3.245 N/A LEU 299.A N LEU 294.A O no hydrogen 2.890 N/A LYS 303.A N ALA 273.A O no hydrogen 2.996 N/A ILE 305.A N CYS 189.A O no hydrogen 2.770 N/A VAL 306.A N HIS 276.A O no hydrogen 2.921 N/A ALA 307.A N VAL 191.A O no hydrogen 2.925 N/A HIS 308.A N ILE 278.A O no hydrogen 3.016 N/A HIS 308.A ND1 GLY 309.A O no hydrogen 3.124 N/A HIS 308.A NE2 SER 25.A OG no hydrogen 2.717 N/A TRP 310.A N ASP 353.A OD1 no hydrogen 3.185 N/A THR 312.A N GLY 354.A O no hydrogen 3.192 N/A THR 312.A OG1 GLY 354.A O no hydrogen 3.265 N/A THR 312.A OG1 ASP 355.A OD1 no hydrogen 2.765 N/A LYS 313.A N LYS 316.A O no hydrogen 3.127 N/A LYS 313.A NZ ASP 314.A OD2 no hydrogen 3.385 N/A ASP 314.A N TYR 356.A O no hydrogen 2.926 N/A ARG 315.A N ASP 355.A OD1 no hydrogen 2.932 N/A LYS 316.A N LYS 313.A O no hydrogen 3.281 N/A SER 319.A N ASN 324.A O no hydrogen 3.237 N/A SER 319.A OG SER 321.A OG no hydrogen 2.618 N/A SER 321.A OG SER 319.A OG no hydrogen 2.618 N/A ASN 324.A N SER 319.A O no hydrogen 3.186 N/A ASN 324.A ND2 LYS 313.A O no hydrogen 3.077 N/A ASN 324.A ND2 LYS 317.A O no hydrogen 3.431 N/A LYS 331.A N ASP 327.A O no hydrogen 3.014 N/A LYS 331.A NZ ASP 358.A OD1 no hydrogen 2.765 N/A ALA 332.A N PRO 328.A O no hydrogen 2.768 N/A GLU 333.A N VAL 329.A O no hydrogen 3.025 N/A GLU 334.A N GLU 330.A O no hydrogen 3.136 N/A PHE 335.A N LYS 331.A O no hydrogen 2.954 N/A GLY 336.A N ALA 332.A O no hydrogen 2.621 N/A TYR 337.A OH GLU 333.A OE2 no hydrogen 2.814 N/A LEU 340.A N GLY 336.A O no hydrogen 3.102 N/A LYS 341.A N TYR 337.A O no hydrogen 3.107 N/A LYS 341.A NZ MET 85.A O no hydrogen 3.345 N/A LYS 341.A NZ ASP 86.A O no hydrogen 3.273 N/A TYR 342.A N ASP 338.A O no hydrogen 2.850 N/A TYR 342.A OH GLU 368.A OE2 no hydrogen 2.589 N/A PHE 343.A N ALA 339.A O no hydrogen 2.909 N/A LEU 344.A N LEU 340.A O no hydrogen 2.989 N/A LEU 345.A N LYS 341.A O no hydrogen 3.093 N/A LEU 345.A N TYR 342.A O no hydrogen 3.185 N/A ARG 346.A N TYR 342.A O no hydrogen 2.729 N/A ARG 346.A NH1 ARG 346.A O no hydrogen 2.903 N/A GLU 347.A N PHE 343.A O no hydrogen 2.715 N/A SER 348.A OG GLY 349.A O no hydrogen 3.031 N/A SER 348.A OG ASP 352.A O no hydrogen 3.506 N/A ASP 352.A N GLY 349.A O no hydrogen 3.041 N/A TYR 356.A N THR 312.A O no hydrogen 3.016 N/A TYR 356.A OH ASP 358.A OD1 no hydrogen 2.844 N/A ASN 360.A N SER 357.A OG no hydrogen 3.154 N/A ASN 360.A ND2 GLU 347.A OE1 no hydrogen 2.887 N/A MET 361.A N SER 357.A O no hydrogen 2.852 N/A ILE 362.A N ASP 358.A O no hydrogen 2.981 N/A ALA 363.A N LYS 359.A O no hydrogen 3.011 N/A ARG 364.A N ASN 360.A O no hydrogen 3.095 N/A ARG 364.A NE GLU 347.A OE1 no hydrogen 2.898 N/A ARG 364.A NH1 GLU 368.A OE2 no hydrogen 3.012 N/A ARG 364.A NH2 GLU 347.A OE1 no hydrogen 3.021 N/A LEU 365.A N MET 361.A O no hydrogen 3.002 N/A ASN 366.A N ILE 362.A O no hydrogen 2.943 N/A ASN 366.A ND2 ARG 528.A O no hydrogen 2.982 N/A GLY 367.A N ALA 363.A O no hydrogen 2.795 N/A GLU 368.A N ARG 364.A O no hydrogen 2.814 N/A LEU 369.A N ARG 364.A O no hydrogen 3.211 N/A ALA 370.A N LEU 365.A O no hydrogen 2.803 N/A ASP 371.A N ASN 366.A O no hydrogen 2.835 N/A THR 372.A OG1 GLY 367.A O no hydrogen 3.024 N/A LEU 373.A N GLU 368.A O no hydrogen 3.073 N/A GLY 374.A N LEU 369.A O no hydrogen 2.739 N/A ASN 375.A N ALA 370.A O no hydrogen 2.752 N/A VAL 377.A N LEU 373.A O no hydrogen 3.126 N/A MET 378.A N GLY 374.A O no hydrogen 3.074 N/A ARG 379.A N ASN 375.A O no hydrogen 3.030 N/A CYS 380.A N LEU 376.A O no hydrogen 3.224 N/A CYS 380.A SG LEU 376.A O no hydrogen 3.404 N/A CYS 380.A SG VAL 377.A O no hydrogen 3.606 N/A THR 381.A OG1 VAL 377.A O no hydrogen 2.637 N/A THR 381.A OG1 MET 378.A O no hydrogen 3.207 N/A SER 382.A N MET 378.A O no hydrogen 2.739 N/A LYS 384.A N SER 382.A OG no hydrogen 2.902 N/A ILE 385.A N SER 382.A OG no hydrogen 3.312 N/A ASN 386.A N SER 382.A O no hydrogen 2.796 N/A ASN 386.A ND2 CYS 380.A O no hydrogen 3.352 N/A ASN 386.A ND2 GLU 390.A O no hydrogen 3.042 N/A GLY 389.A N ASN 386.A O no hydrogen 3.308 N/A GLU 390.A N ASN 386.A OD1 no hydrogen 3.168 N/A TRP 391.A N THR 513.A O no hydrogen 2.844 N/A TRP 391.A NE1 LEU 491.A O no hydrogen 2.979 N/A ALA 395.A N THR 460.A OG1 no hydrogen 3.017 N/A THR 398.A N ASP 401.A OD2 no hydrogen 2.801 N/A ASP 401.A N THR 398.A OG1 no hydrogen 2.962 N/A GLU 402.A N THR 398.A O no hydrogen 2.959 N/A SER 403.A N GLU 399.A O no hydrogen 2.901 N/A SER 403.A OG GLU 400.A O no hydrogen 3.010 N/A LEU 404.A N GLU 400.A O no hydrogen 3.242 N/A ILE 405.A N ASP 401.A O no hydrogen 3.060 N/A GLN 406.A N GLU 402.A O no hydrogen 2.857 N/A LEU 407.A N SER 403.A O no hydrogen 3.318 N/A ILE 408.A N LEU 404.A O no hydrogen 3.137 N/A LYS 409.A N ILE 405.A O no hydrogen 2.815 N/A ASP 410.A N GLN 406.A O no hydrogen 2.901 N/A LEU 411.A N ILE 408.A O no hydrogen 3.242 N/A THR 414.A N ASP 410.A O no hydrogen 3.378 N/A ALA 415.A N LEU 411.A O no hydrogen 2.851 N/A ASP 416.A N PRO 412.A O no hydrogen 2.719 N/A HIS 417.A N GLY 413.A O no hydrogen 3.181 N/A TYR 418.A N THR 414.A O no hydrogen 3.243 N/A TYR 419.A N ALA 415.A O no hydrogen 2.925 N/A TYR 419.A OH LEU 475.A O no hydrogen 2.953 N/A LEU 420.A N ASP 416.A O no hydrogen 2.990 N/A ILE 421.A N TYR 418.A O no hydrogen 3.097 N/A ASP 423.A N TYR 418.A O no hydrogen 2.750 N/A GLN 425.A NE2 ARG 346.A O no hydrogen 2.909 N/A LYS 426.A N ASP 423.A OD1 no hydrogen 3.134 N/A ALA 427.A N ASP 423.A O no hydrogen 3.274 N/A ILE 428.A N ILE 424.A O no hydrogen 3.003 N/A ILE 429.A N GLN 425.A O no hydrogen 2.904 N/A ALA 430.A N LYS 426.A O no hydrogen 2.980 N/A VAL 431.A N ALA 427.A O no hydrogen 3.080 N/A PHE 432.A N ILE 428.A O no hydrogen 2.965 N/A ASP 433.A N ILE 429.A O no hydrogen 2.902 N/A VAL 434.A N ALA 430.A O no hydrogen 3.348 N/A LEU 435.A N VAL 431.A O no hydrogen 3.004 N/A ARG 436.A N PHE 432.A O no hydrogen 2.769 N/A ARG 436.A NH2 ASP 433.A OD1 no hydrogen 2.786 N/A ALA 437.A N ASP 433.A O no hydrogen 3.076 N/A ILE 438.A N VAL 434.A O no hydrogen 3.002 N/A ASN 439.A N LEU 435.A O no hydrogen 3.078 N/A ASN 439.A ND2 THR 372.A O no hydrogen 2.902 N/A ASN 439.A ND2 LEU 435.A O no hydrogen 3.369 N/A ALA 440.A N ARG 436.A O no hydrogen 2.943 N/A TYR 441.A N ALA 437.A O no hydrogen 3.003 N/A TYR 441.A OH ASP 401.A OD1 no hydrogen 2.560 N/A VAL 442.A N ILE 438.A O no hydrogen 2.903 N/A THR 443.A N ASN 439.A O no hydrogen 2.862 N/A THR 443.A OG1 ASN 439.A O no hydrogen 3.158 N/A ASP 444.A N ALA 440.A O no hydrogen 2.953 N/A MET 445.A N TYR 441.A O no hydrogen 2.847 N/A ALA 446.A N VAL 442.A O no hydrogen 2.895 N/A LYS 449.A N ALA 446.A O no hydrogen 2.972 N/A LEU 450.A N ALA 446.A O no hydrogen 3.251 N/A VAL 451.A N PRO 447.A O no hydrogen 3.081 N/A THR 453.A N LYS 449.A O no hydrogen 3.338 N/A THR 453.A OG1 LYS 449.A O no hydrogen 2.716 N/A ASP 454.A N LEU 450.A O no hydrogen 2.853 N/A ARG 457.A N ASP 454.A OD1 no hydrogen 3.245 N/A ARG 457.A NH1 ASP 401.A OD2 no hydrogen 2.695 N/A ARG 457.A NH2 ASP 401.A OD1 no hydrogen 2.954 N/A ARG 457.A NH2 ASP 401.A OD2 no hydrogen 3.079 N/A LEU 458.A N ASP 454.A O no hydrogen 2.938 N/A ARG 459.A N PRO 455.A O no hydrogen 3.098 N/A ARG 459.A NH1 SER 393.A O no hydrogen 2.797 N/A VAL 461.A N ARG 457.A O no hydrogen 3.168 N/A LEU 462.A N LEU 458.A O no hydrogen 2.837 N/A TYR 463.A N ARG 459.A O no hydrogen 3.021 N/A ILE 464.A N THR 460.A O no hydrogen 3.081 N/A THR 465.A N VAL 461.A O no hydrogen 2.964 N/A THR 465.A OG1 VAL 461.A O no hydrogen 2.890 N/A LEU 466.A N LEU 462.A O no hydrogen 2.921 N/A GLU 467.A N TYR 463.A O no hydrogen 3.003 N/A GLY 468.A N ILE 464.A O no hydrogen 2.763 N/A VAL 469.A N THR 465.A O no hydrogen 3.004 N/A ARG 470.A N LEU 466.A O no hydrogen 2.855 N/A ARG 470.A NE GLU 467.A OE1 no hydrogen 2.869 N/A ARG 470.A NE GLU 467.A OE2 no hydrogen 3.358 N/A ARG 470.A NH1 ASN 503.A O no hydrogen 2.859 N/A ARG 470.A NH2 GLU 467.A OE2 no hydrogen 2.778 N/A ARG 470.A NH2 ASN 503.A O no hydrogen 3.122 N/A VAL 471.A N GLU 467.A O no hydrogen 3.068 N/A THR 472.A N GLY 468.A O no hydrogen 3.036 N/A THR 472.A OG1 GLY 468.A O no hydrogen 2.873 N/A THR 472.A OG1 VAL 469.A O no hydrogen 2.965 N/A THR 473.A N VAL 469.A O no hydrogen 2.919 N/A THR 473.A OG1 VAL 469.A O no hydrogen 2.642 N/A LEU 474.A N ARG 470.A O no hydrogen 2.881 N/A LEU 475.A N VAL 471.A O no hydrogen 3.167 N/A LEU 476.A N THR 472.A O no hydrogen 2.938 N/A SER 477.A N LEU 474.A O no hydrogen 3.032 N/A SER 477.A OG LEU 474.A O no hydrogen 2.690 N/A ILE 479.A N LEU 476.A O no hydrogen 2.979 N/A LEU 480.A N LEU 476.A O no hydrogen 2.845 N/A ARG 482.A NE ASP 86.A OD2 no hydrogen 2.751 N/A ARG 482.A NH2 ASP 86.A OD1 no hydrogen 2.911 N/A ARG 482.A NH2 ASP 86.A OD2 no hydrogen 3.540 N/A LYS 483.A N ASP 338.A OD2 no hydrogen 2.856 N/A LYS 483.A NZ LEU 524.A O no hydrogen 2.966 N/A SER 484.A N LEU 480.A O no hydrogen 2.747 N/A SER 484.A OG LEU 480.A O no hydrogen 2.990 N/A SER 484.A OG PRO 481.A O no hydrogen 2.873 N/A VAL 486.A N ARG 482.A O no hydrogen 3.271 N/A ILE 487.A N LYS 483.A O no hydrogen 2.980 N/A PHE 488.A N SER 484.A O no hydrogen 2.965 N/A ASP 489.A N VAL 485.A O no hydrogen 3.020 N/A MET 490.A N VAL 486.A O no hydrogen 2.961 N/A LEU 491.A N ILE 487.A O no hydrogen 2.865 N/A GLY 492.A N ASP 489.A O no hydrogen 3.279 N/A VAL 493.A N PHE 488.A O no hydrogen 2.952 N/A HIS 497.A N PRO 494.A O no hydrogen 3.043 N/A HIS 497.A ND1 ASN 503.A OD1 no hydrogen 2.706 N/A ARG 498.A N GLU 495.A O no hydrogen 2.957 N/A ARG 498.A NE VAL 493.A O no hydrogen 3.109 N/A ARG 498.A NH1 ASP 489.A OD1 no hydrogen 3.076 N/A ARG 498.A NH2 ASP 489.A OD1 no hydrogen 2.862 N/A ARG 498.A NH2 VAL 493.A O no hydrogen 2.968 N/A LYS 499.A NZ ARG 37.A O no hydrogen 3.255 N/A GLY 500.A N VAL 38.A O no hydrogen 2.596 N/A GLU 502.A N GLU 502.A OE1 no hydrogen 2.877 N/A ASN 503.A N GLY 500.A O no hydrogen 3.026 N/A ASN 503.A ND2 LYS 499.A O no hydrogen 2.723 N/A PHE 504.A N ILE 501.A O no hydrogen 3.026 N/A GLU 505.A N GLU 502.A O no hydrogen 3.394 N/A GLY 507.A N GLU 467.A OE2 no hydrogen 2.633 N/A GLY 512.A N TRP 391.A O no hydrogen 2.785 N/A THR 513.A N PRO 510.A O no hydrogen 3.233 N/A THR 513.A OG1 PRO 510.A O no hydrogen 2.685 N/A LEU 515.A N GLY 389.A O no hydrogen 3.061 N/A GLY 516.A N MET 490.A O no hydrogen 3.060 N/A VAL 519.A N GLU 522.A OE2 no hydrogen 2.734 N/A GLU 522.A N VAL 519.A O no hydrogen 3.306 N/A LYS 527.A NZ ASP 371.A OD1 no hydrogen 2.825 N/A LYS 527.A NZ ASP 371.A OD2 no hydrogen 3.229 N/A ARG 528.A N ASN 366.A OD1 no hydrogen 3.137 N/A