Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1n21_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N GLN 1.A O no hydrogen 3.026 N/A ARG 3.A NH1 TYR 294.A O no hydrogen 3.099 N/A ARG 3.A NH1 GLU 299.A OE1 no hydrogen 2.674 N/A ARG 3.A NH2 GLU 299.A OE1 no hydrogen 3.545 N/A ARG 3.A NH2 GLU 299.A OE2 no hydrogen 3.072 N/A ARG 4.A NH1 ASP 292.A O no hydrogen 3.128 N/A ARG 4.A NH2 ARG 444.A O no hydrogen 2.559 N/A ARG 4.A NH2 GLY 445.A O no hydrogen 3.019 N/A ASN 7.A N SER 5.A OG no hydrogen 3.426 N/A TYR 8.A OH ASP 289.A OD1 no hydrogen 2.639 N/A TYR 17.A N ASP 14.A OD1 no hydrogen 2.953 N/A ILE 18.A N ASP 14.A O no hydrogen 3.013 N/A GLN 19.A N SER 15.A O no hydrogen 2.784 N/A GLN 19.A NE2 LYS 232.A O no hydrogen 3.222 N/A SER 20.A N ASN 16.A O no hydrogen 2.988 N/A SER 20.A OG ASN 16.A O no hydrogen 2.876 N/A SER 20.A OG TYR 17.A O no hydrogen 3.130 N/A LEU 21.A N ILE 18.A O no hydrogen 3.083 N/A GLU 27.A N PRO 24.A O no hydrogen 3.212 N/A HIS 30.A N GLU 27.A O no hydrogen 3.307 N/A HIS 30.A ND1 PRO 24.A O no hydrogen 3.129 N/A LEU 31.A N GLU 27.A O no hydrogen 3.369 N/A ASP 32.A N GLU 28.A O no hydrogen 2.890 N/A ARG 33.A N ARG 29.A O no hydrogen 3.095 N/A ARG 33.A NE GLU 214.A OE2 no hydrogen 3.510 N/A ARG 33.A NH2 GLU 36.A OE1 no hydrogen 2.626 N/A LYS 34.A N HIS 30.A O no hydrogen 3.168 N/A ALA 35.A N LEU 31.A O no hydrogen 3.474 N/A GLU 36.A N ASP 32.A O no hydrogen 2.872 N/A LEU 37.A N ARG 33.A O no hydrogen 2.890 N/A ILE 38.A N LYS 34.A O no hydrogen 2.807 N/A VAL 39.A N ALA 35.A O no hydrogen 3.078 N/A VAL 39.A N GLU 36.A O no hydrogen 2.988 N/A GLN 40.A N GLU 36.A O no hydrogen 3.122 N/A VAL 41.A N LEU 37.A O no hydrogen 2.794 N/A ARG 42.A N ILE 38.A O no hydrogen 2.981 N/A ILE 43.A N VAL 39.A O no hydrogen 3.254 N/A LEU 44.A N GLN 40.A O no hydrogen 2.974 N/A LEU 45.A N VAL 41.A O no hydrogen 2.851 N/A LEU 45.A N ARG 42.A O no hydrogen 3.139 N/A LYS 46.A N ARG 42.A O no hydrogen 3.104 N/A GLU 50.A N GLN 53.A OE1 no hydrogen 3.138 N/A GLN 54.A N GLU 50.A O no hydrogen 3.280 N/A GLN 54.A N PRO 51.A O no hydrogen 3.026 N/A LEU 55.A N PRO 51.A O no hydrogen 3.001 N/A GLU 56.A N VAL 52.A O no hydrogen 2.860 N/A LEU 57.A N GLN 53.A O no hydrogen 2.943 N/A ILE 58.A N GLN 54.A O no hydrogen 2.769 N/A HIS 59.A N LEU 55.A O no hydrogen 2.980 N/A ASP 60.A N GLU 56.A O no hydrogen 2.856 N/A LEU 61.A N LEU 57.A O no hydrogen 2.869 N/A LYS 62.A N ILE 58.A O no hydrogen 3.027 N/A TYR 63.A N HIS 59.A O no hydrogen 3.208 N/A LEU 64.A N LEU 61.A O no hydrogen 3.375 N/A GLY 65.A N LYS 62.A O no hydrogen 2.988 N/A LEU 66.A N LEU 61.A O no hydrogen 2.776 N/A SER 67.A N LEU 61.A O no hydrogen 3.094 N/A SER 67.A OG LEU 61.A O no hydrogen 3.502 N/A PHE 69.A N LEU 66.A O no hydrogen 2.930 N/A PHE 70.A N SER 67.A O no hydrogen 2.794 N/A GLN 71.A NE2 SER 67.A O no hydrogen 3.189 N/A ILE 74.A N PHE 70.A O no hydrogen 2.917 N/A LYS 75.A N GLN 71.A O no hydrogen 2.940 N/A GLU 76.A N ASP 72.A O no hydrogen 3.144 N/A ILE 77.A N GLU 73.A O no hydrogen 3.185 N/A LEU 78.A N ILE 74.A O no hydrogen 2.839 N/A GLY 79.A N LYS 75.A O no hydrogen 3.101 N/A VAL 80.A N GLU 76.A O no hydrogen 2.931 N/A ILE 81.A N ILE 77.A O no hydrogen 3.056 N/A TYR 82.A N GLY 79.A O no hydrogen 3.092 N/A ASN 83.A N GLY 79.A O no hydrogen 3.124 N/A GLU 84.A N VAL 80.A O no hydrogen 2.924 N/A PHE 88.A N HIS 85.A O no hydrogen 3.387 N/A HIS 89.A N HIS 89.A ND1 no hydrogen 2.915 N/A TYR 94.A OH GLU 56.A OE2 no hydrogen 2.838 N/A THR 96.A N ASP 92.A O no hydrogen 3.008 N/A THR 96.A OG1 MET 91.A O no hydrogen 3.416 N/A THR 96.A OG1 ASP 92.A O no hydrogen 2.603 N/A ALA 97.A N LEU 93.A O no hydrogen 2.760 N/A LEU 98.A N TYR 94.A O no hydrogen 2.809 N/A GLY 99.A N PHE 95.A O no hydrogen 2.813 N/A PHE 100.A N THR 96.A O no hydrogen 2.811 N/A ARG 101.A N ALA 97.A O no hydrogen 2.771 N/A ARG 101.A NH2 HIS 59.A NE2 no hydrogen 2.978 N/A LEU 102.A N LEU 98.A O no hydrogen 2.975 N/A LEU 103.A N GLY 99.A O no hydrogen 2.982 N/A ARG 104.A N PHE 100.A O no hydrogen 2.737 N/A ARG 104.A NH1 LEU 146.A O no hydrogen 3.042 N/A ARG 104.A NH1 GLU 151.A OE1 no hydrogen 2.871 N/A ARG 104.A NH1 GLU 151.A OE2 no hydrogen 3.559 N/A ARG 104.A NH2 ILE 110.A O no hydrogen 3.196 N/A ARG 104.A NH2 GLU 151.A OE2 no hydrogen 3.275 N/A GLN 105.A N ARG 101.A O no hydrogen 2.990 N/A HIS 106.A N LEU 102.A O no hydrogen 3.147 N/A HIS 106.A ND1 LEU 102.A O no hydrogen 2.906 N/A GLY 107.A N ARG 104.A O no hydrogen 2.744 N/A PHE 108.A N LEU 103.A O no hydrogen 2.944 N/A SER 111.A OG ASP 113.A OD2 no hydrogen 3.158 N/A GLN 112.A NE2 GLY 150.A O no hydrogen 3.373 N/A ASP 113.A N SER 111.A OG no hydrogen 3.384 N/A PHE 115.A N GLN 112.A O no hydrogen 3.027 N/A ASN 116.A N ASP 113.A O no hydrogen 3.368 N/A ASN 116.A ND2 ASP 113.A OD1 no hydrogen 3.410 N/A CYS 117.A SG VAL 114.A O no hydrogen 4.028 N/A PHE 118.A N PHE 115.A O no hydrogen 3.296 N/A LYS 119.A N ASN 116.A O no hydrogen 2.715 N/A LYS 119.A NZ ASN 116.A OD1 no hydrogen 3.132 N/A ASN 120.A N ASP 125.A O no hydrogen 3.312 N/A GLY 123.A N ASN 120.A O no hydrogen 2.811 N/A LYS 127.A N PHE 118.A O no hydrogen 3.018 N/A ASP 133.A N LEU 130.A O no hydrogen 2.920 N/A THR 134.A N GLN 132.A O no hydrogen 2.906 N/A THR 134.A OG1 GLN 132.A O no hydrogen 3.450 N/A GLY 136.A N ASP 133.A O no hydrogen 2.604 N/A MET 137.A N ASP 133.A O no hydrogen 2.835 N/A LEU 138.A N THR 134.A O no hydrogen 3.066 N/A LEU 140.A N GLY 136.A O no hydrogen 2.975 N/A TYR 141.A N MET 137.A O no hydrogen 2.990 N/A TYR 141.A OH SER 181.A O no hydrogen 2.706 N/A GLU 142.A N LEU 138.A O no hydrogen 2.876 N/A ALA 143.A N GLN 139.A O no hydrogen 3.049 N/A SER 144.A N LEU 140.A O no hydrogen 2.915 N/A SER 144.A N TYR 141.A O no hydrogen 3.100 N/A SER 144.A OG TYR 141.A O no hydrogen 2.531 N/A PHE 145.A N GLU 142.A O no hydrogen 3.248 N/A LEU 146.A N ALA 143.A O no hydrogen 3.184 N/A ARG 148.A N GLU 151.A OE1 no hydrogen 2.780 N/A LYS 149.A N THR 482.A OG1 no hydrogen 3.031 N/A GLU 151.A N ARG 148.A O no hydrogen 3.241 N/A THR 153.A N GLN 112.A OE1 no hydrogen 2.492 N/A THR 153.A OG1 GLN 112.A OE1 no hydrogen 2.968 N/A LEU 154.A N GLN 112.A OE1 no hydrogen 3.397 N/A LEU 156.A N ASP 152.A O no hydrogen 3.032 N/A ALA 157.A N THR 153.A O no hydrogen 2.684 N/A ARG 158.A N LEU 154.A O no hydrogen 2.935 N/A ARG 158.A NE GLU 155.A OE2 no hydrogen 3.165 N/A GLU 159.A N GLU 155.A O no hydrogen 3.251 N/A PHE 160.A N LEU 156.A O no hydrogen 2.777 N/A ALA 161.A N ALA 157.A O no hydrogen 2.718 N/A THR 162.A N ARG 158.A O no hydrogen 2.947 N/A THR 162.A OG1 ARG 158.A O no hydrogen 2.601 N/A CYS 164.A N PHE 160.A O no hydrogen 3.210 N/A LEU 165.A N ALA 161.A O no hydrogen 2.891 N/A GLN 166.A N THR 162.A O no hydrogen 2.828 N/A GLN 166.A NE2 GLN 166.A O no hydrogen 3.557 N/A LYS 167.A N LYS 163.A O no hydrogen 2.978 N/A LYS 168.A N CYS 164.A O no hydrogen 3.151 N/A LYS 168.A NZ THR 134.A OG1 no hydrogen 2.615 N/A LEU 169.A N GLN 166.A O no hydrogen 3.120 N/A ASP 170.A N LYS 167.A O no hydrogen 2.647 N/A ASN 173.A N ASP 171.A OD2 no hydrogen 3.354 N/A LEU 175.A N ASP 171.A O no hydrogen 2.954 N/A TRP 177.A N ASN 173.A O no hydrogen 2.960 N/A ILE 178.A N LEU 174.A O no hydrogen 3.193 N/A ARG 179.A N LEU 175.A O no hydrogen 2.909 N/A HIS 180.A N LEU 176.A O no hydrogen 2.936 N/A HIS 180.A NE2 GLU 194.A OE1 no hydrogen 2.786 N/A SER 181.A N TRP 177.A O no hydrogen 2.900 N/A SER 181.A OG GLU 142.A OE2 no hydrogen 2.500 N/A LEU 182.A N ILE 178.A O no hydrogen 2.785 N/A ASP 183.A N HIS 180.A O no hydrogen 3.280 N/A LEU 184.A N HIS 180.A O no hydrogen 3.425 N/A LEU 186.A N GLU 142.A OE1 no hydrogen 3.153 N/A HIS 187.A NE2 ASN 481.A OD1 no hydrogen 2.975 N/A TRP 188.A N PRO 185.A O no hydrogen 2.687 N/A ARG 189.A N LEU 186.A O no hydrogen 2.862 N/A ARG 189.A NE LEU 184.A O no hydrogen 2.890 N/A ARG 189.A NH1 GLU 194.A OE2 no hydrogen 3.096 N/A ARG 189.A NH2 HIS 180.A O no hydrogen 2.994 N/A SER 192.A N GLU 266.A OE2 no hydrogen 3.156 N/A SER 192.A OG VAL 262.A O no hydrogen 3.080 N/A VAL 193.A N ILE 190.A O no hydrogen 3.054 N/A GLU 194.A N ILE 190.A O no hydrogen 2.949 N/A ARG 196.A NE GLY 528.A O no hydrogen 2.802 N/A ARG 196.A NH2 GLY 528.A O no hydrogen 3.120 N/A ARG 196.A NH2 GLU 532.A O no hydrogen 2.949 N/A ARG 196.A NH2 PRO 533.A O no hydrogen 3.376 N/A PHE 198.A N GLU 194.A O no hydrogen 3.160 N/A ILE 199.A N ALA 195.A O no hydrogen 3.041 N/A ASP 200.A N ARG 196.A O no hydrogen 2.873 N/A ALA 201.A N TRP 197.A O no hydrogen 2.938 N/A TYR 202.A N PHE 198.A O no hydrogen 2.830 N/A ALA 203.A N ILE 199.A O no hydrogen 2.727 N/A ARG 204.A N ASP 200.A O no hydrogen 3.033 N/A ARG 205.A N TYR 202.A O no hydrogen 2.964 N/A ARG 205.A NH2 ASP 60.A OD2 no hydrogen 2.899 N/A MET 208.A N ARG 205.A O no hydrogen 3.331 N/A ASN 209.A N TYR 202.A OH no hydrogen 3.266 N/A ILE 212.A N ASN 209.A OD1 no hydrogen 3.178 N/A PHE 213.A N ASN 209.A O no hydrogen 2.875 N/A GLU 214.A N PRO 210.A O no hydrogen 2.714 N/A LEU 215.A N LEU 211.A O no hydrogen 3.059 N/A ALA 216.A N ILE 212.A O no hydrogen 2.902 N/A LYS 217.A N PHE 213.A O no hydrogen 3.060 N/A LEU 218.A N GLU 214.A O no hydrogen 2.747 N/A ASN 219.A N LEU 215.A O no hydrogen 2.745 N/A PHE 220.A N ALA 216.A O no hydrogen 2.921 N/A ASN 221.A N LYS 217.A O no hydrogen 2.850 N/A ASN 221.A ND2 TYR 534.A O no hydrogen 2.973 N/A ILE 222.A N LEU 218.A O no hydrogen 2.825 N/A ILE 223.A N ASN 219.A O no hydrogen 2.989 N/A GLN 224.A N PHE 220.A O no hydrogen 3.089 N/A GLN 224.A NE2 LEU 529.A O no hydrogen 3.344 N/A GLN 224.A NE2 GLU 532.A O no hydrogen 2.683 N/A ALA 225.A N ASN 221.A O no hydrogen 3.289 N/A THR 226.A N ILE 222.A O no hydrogen 3.274 N/A THR 226.A OG1 HIS 268.A NE2 no hydrogen 3.160 N/A HIS 227.A N ILE 223.A O no hydrogen 2.674 N/A GLN 228.A N GLN 224.A O no hydrogen 2.758 N/A GLN 228.A NE2 LEU 530.A O no hydrogen 2.680 N/A GLN 229.A N ALA 225.A O no hydrogen 3.121 N/A GLN 229.A NE2 GLN 229.A O no hydrogen 3.478 N/A GLU 230.A N THR 226.A O no hydrogen 2.938 N/A LEU 231.A N HIS 227.A O no hydrogen 2.678 N/A LYS 232.A N GLN 228.A O no hydrogen 2.902 N/A LYS 232.A NZ LEU 21.A O no hydrogen 3.014 N/A ASP 233.A N GLN 229.A O no hydrogen 2.983 N/A LEU 234.A N GLU 230.A O no hydrogen 3.069 N/A SER 235.A N LEU 231.A O no hydrogen 2.927 N/A ARG 236.A N LYS 232.A O no hydrogen 3.025 N/A TRP 237.A N ASP 233.A O no hydrogen 3.295 N/A TRP 238.A N LEU 234.A O no hydrogen 2.809 N/A SER 239.A N SER 235.A O no hydrogen 2.975 N/A SER 239.A N ARG 236.A O no hydrogen 3.159 N/A SER 239.A OG SER 235.A O no hydrogen 3.050 N/A ARG 240.A N ARG 236.A O no hydrogen 3.207 N/A LEU 241.A N TRP 237.A O no hydrogen 3.200 N/A CYS 242.A N TRP 238.A O no hydrogen 3.440 N/A CYS 242.A SG SER 239.A O no hydrogen 3.313 N/A CYS 242.A SG ARG 240.A O no hydrogen 3.939 N/A LYS 246.A N CYS 242.A O no hydrogen 2.935 N/A LEU 247.A N PHE 243.A O no hydrogen 2.376 N/A VAL 250.A N LEU 247.A O no hydrogen 3.073 N/A ARG 251.A NE ASP 289.A OD2 no hydrogen 2.645 N/A ARG 251.A NH2 ASP 289.A OD2 no hydrogen 3.248 N/A ARG 253.A NE PHE 515.A O no hydrogen 2.897 N/A ARG 253.A NE GLY 516.A O no hydrogen 3.371 N/A ARG 253.A NH1 GLN 9.A O no hydrogen 3.058 N/A ARG 253.A NH1 GLY 516.A O no hydrogen 3.171 N/A ARG 253.A NH2 GLN 9.A O no hydrogen 3.462 N/A ARG 253.A NH2 ASP 252.A O no hydrogen 2.512 N/A GLU 256.A N GLU 256.A OE1 no hydrogen 2.666 N/A SER 257.A N ARG 253.A O no hydrogen 2.904 N/A SER 257.A OG ARG 253.A O no hydrogen 2.818 N/A PHE 258.A N LEU 254.A O no hydrogen 2.812 N/A PHE 259.A N VAL 255.A O no hydrogen 2.651 N/A TRP 260.A N GLU 256.A O no hydrogen 2.868 N/A TRP 260.A NE1 ILE 501.A O no hydrogen 3.120 N/A ALA 261.A N SER 257.A O no hydrogen 3.215 N/A VAL 262.A N PHE 258.A O no hydrogen 2.867 N/A GLY 263.A N PHE 259.A O no hydrogen 3.135 N/A MET 264.A N TRP 260.A O no hydrogen 2.891 N/A PHE 265.A N ALA 261.A O no hydrogen 2.825 N/A HIS 268.A NE2 THR 226.A OG1 no hydrogen 3.160 N/A GLN 269.A N GLN 269.A OE1 no hydrogen 2.656 N/A HIS 270.A N PRO 267.A O no hydrogen 3.246 N/A TYR 272.A OH ASP 339.A OD2 no hydrogen 2.598 N/A GLN 273.A NE2 THR 401.A O no hydrogen 3.524 N/A GLN 273.A NE2 THR 401.A OG1 no hydrogen 2.706 N/A ARG 274.A N HIS 270.A O no hydrogen 3.058 N/A ARG 274.A NE GLU 230.A OE1 no hydrogen 2.582 N/A ARG 274.A NH1 PHE 265.A O no hydrogen 3.042 N/A ARG 274.A NH1 PRO 267.A O no hydrogen 2.812 N/A ARG 274.A NH2 GLU 230.A OE1 no hydrogen 3.318 N/A ARG 274.A NH2 GLU 230.A OE2 no hydrogen 2.659 N/A ARG 274.A NH2 HIS 268.A O no hydrogen 3.216 N/A LYS 275.A N GLY 271.A O no hydrogen 2.978 N/A MET 276.A N TYR 272.A O no hydrogen 2.783 N/A ALA 277.A N GLN 273.A O no hydrogen 2.755 N/A ALA 278.A N ARG 274.A O no hydrogen 2.888 N/A THR 279.A N LYS 275.A O no hydrogen 2.883 N/A THR 279.A OG1 LYS 275.A O no hydrogen 2.761 N/A ILE 280.A N MET 276.A O no hydrogen 2.979 N/A ILE 281.A N ALA 277.A O no hydrogen 2.862 N/A VAL 282.A N ALA 278.A O no hydrogen 2.822 N/A LEU 283.A N THR 279.A O no hydrogen 3.099 N/A ALA 284.A N ILE 280.A O no hydrogen 2.757 N/A THR 285.A N ILE 281.A O no hydrogen 3.055 N/A THR 285.A OG1 ILE 281.A O no hydrogen 2.864 N/A VAL 286.A N VAL 282.A O no hydrogen 3.174 N/A ILE 287.A N LEU 283.A O no hydrogen 2.839 N/A ASP 288.A N ALA 284.A O no hydrogen 2.732 N/A ASP 289.A N THR 285.A O no hydrogen 3.236 N/A ILE 290.A N VAL 286.A O no hydrogen 3.101 N/A TYR 291.A N ILE 287.A O no hydrogen 3.084 N/A TYR 291.A OH THR 304.A OG1 no hydrogen 2.805 N/A ASP 292.A N ASP 288.A O no hydrogen 2.909 N/A TYR 294.A N ASP 289.A O no hydrogen 3.127 N/A GLY 295.A N ILE 290.A O no hydrogen 2.586 N/A THR 296.A N GLU 299.A OE1 no hydrogen 3.052 N/A GLU 299.A N THR 296.A OG1 no hydrogen 3.391 N/A LEU 300.A N THR 296.A O no hydrogen 2.729 N/A GLU 301.A N LEU 297.A O no hydrogen 2.747 N/A PHE 303.A N GLU 299.A O no hydrogen 2.819 N/A THR 304.A N LEU 300.A O no hydrogen 2.898 N/A THR 304.A OG1 TYR 291.A OH no hydrogen 2.805 N/A THR 304.A OG1 LEU 300.A O no hydrogen 2.452 N/A ASP 305.A N GLU 301.A O no hydrogen 2.990 N/A THR 306.A N LEU 302.A O no hydrogen 2.949 N/A THR 306.A OG1 LEU 302.A O no hydrogen 3.339 N/A THR 306.A OG1 SER 314.A O no hydrogen 3.507 N/A THR 306.A OG1 SER 314.A OG no hydrogen 3.129 N/A PHE 307.A N PHE 303.A O no hydrogen 3.277 N/A LYS 308.A N THR 304.A O no hydrogen 3.130 N/A ARG 309.A N ASP 305.A O no hydrogen 2.659 N/A ARG 309.A NE ASP 305.A OD1 no hydrogen 2.800 N/A TRP 310.A N THR 306.A O no hydrogen 2.607 N/A GLU 313.A N ASP 311.A OD2 no hydrogen 2.958 N/A SER 314.A N ASP 311.A OD2 no hydrogen 2.543 N/A SER 314.A OG THR 306.A OG1 no hydrogen 3.129 N/A SER 314.A OG ASP 311.A OD1 no hydrogen 2.335 N/A SER 314.A OG ASP 311.A OD2 no hydrogen 2.954 N/A THR 316.A N GLU 313.A O no hydrogen 3.203 N/A THR 316.A OG1 GLU 313.A O no hydrogen 3.219 N/A ARG 317.A N SER 314.A O no hydrogen 3.428 N/A LEU 318.A N ILE 315.A O no hydrogen 3.067 N/A TYR 321.A OH GLU 299.A OE1 no hydrogen 3.008 N/A MET 322.A N PRO 319.A O no hydrogen 2.848 N/A GLN 323.A N PRO 319.A O no hydrogen 3.143 N/A GLN 323.A NE2 LEU 318.A O no hydrogen 2.768 N/A LEU 324.A N TYR 320.A O no hydrogen 2.959 N/A CYS 325.A N TYR 321.A O no hydrogen 3.009 N/A TYR 326.A N MET 322.A O no hydrogen 2.669 N/A TYR 326.A OH ASP 311.A O no hydrogen 3.050 N/A TRP 327.A N GLN 323.A O no hydrogen 2.833 N/A GLY 328.A N LEU 324.A O no hydrogen 2.727 N/A VAL 329.A N CYS 325.A O no hydrogen 3.159 N/A HIS 330.A N TYR 326.A O no hydrogen 2.811 N/A HIS 330.A ND1 ASN 331.A OD1 no hydrogen 3.035 N/A ASN 331.A N TRP 327.A O no hydrogen 3.015 N/A TYR 332.A N GLY 328.A O no hydrogen 3.237 N/A ILE 333.A N VAL 329.A O no hydrogen 3.135 N/A SER 334.A N HIS 330.A O no hydrogen 3.094 N/A SER 334.A OG HIS 330.A O no hydrogen 2.708 N/A ASP 335.A N ASN 331.A O no hydrogen 2.869 N/A ALA 336.A N TYR 332.A O no hydrogen 2.803 N/A ALA 337.A N ILE 333.A O no hydrogen 2.851 N/A TYR 338.A N SER 334.A O no hydrogen 3.083 N/A ASP 339.A N ASP 335.A O no hydrogen 2.991 N/A ILE 340.A N ALA 336.A O no hydrogen 3.033 N/A LEU 341.A N ALA 337.A O no hydrogen 2.953 N/A LYS 342.A N TYR 338.A O no hydrogen 2.670 N/A LYS 342.A NZ GLU 343.A OE2 no hydrogen 3.449 N/A GLU 343.A N ASP 339.A O no hydrogen 2.774 N/A HIS 344.A N ILE 340.A O no hydrogen 2.824 N/A GLY 345.A N LEU 341.A O no hydrogen 2.763 N/A TYR 351.A N CYS 348.A O no hydrogen 2.894 N/A LEU 352.A N CYS 348.A O no hydrogen 3.128 N/A ARG 353.A N LEU 349.A O no hydrogen 2.879 N/A LYS 354.A N GLN 350.A O no hydrogen 3.341 N/A LYS 354.A NZ ASP 358.A OD2 no hydrogen 2.629 N/A LYS 354.A NZ TYR 416.A O no hydrogen 3.485 N/A SER 355.A N TYR 351.A O no hydrogen 3.072 N/A SER 355.A OG TYR 351.A O no hydrogen 3.147 N/A SER 355.A OG SER 396.A OG no hydrogen 2.691 N/A VAL 356.A N LEU 352.A O no hydrogen 3.104 N/A VAL 357.A N ARG 353.A O no hydrogen 2.796 N/A ASP 358.A N LYS 354.A O no hydrogen 2.853 N/A LEU 359.A N SER 355.A O no hydrogen 3.424 N/A VAL 360.A N VAL 356.A O no hydrogen 3.051 N/A GLU 361.A N VAL 357.A O no hydrogen 2.803 N/A ALA 362.A N ASP 358.A O no hydrogen 3.145 N/A TYR 363.A N LEU 359.A O no hydrogen 2.900 N/A PHE 364.A N VAL 360.A O no hydrogen 2.863 N/A HIS 365.A N GLU 361.A O no hydrogen 2.777 N/A GLU 366.A N ALA 362.A O no hydrogen 3.032 N/A ALA 367.A N TYR 363.A O no hydrogen 2.975 N/A LYS 368.A N PHE 364.A O no hydrogen 2.947 N/A TRP 369.A N HIS 365.A O no hydrogen 3.228 N/A TYR 370.A N GLU 366.A O no hydrogen 2.861 N/A HIS 371.A N ALA 367.A O no hydrogen 2.967 N/A HIS 371.A ND1 ALA 367.A O no hydrogen 2.942 N/A SER 372.A N LYS 368.A O no hydrogen 3.141 N/A SER 372.A OG LYS 368.A O no hydrogen 2.976 N/A SER 372.A OG TRP 369.A O no hydrogen 3.109 N/A GLY 373.A N TRP 369.A O no hydrogen 3.193 N/A TYR 374.A N SER 372.A OG no hydrogen 2.913 N/A TYR 374.A OH GLU 380.A OE1 no hydrogen 2.681 N/A TYR 374.A OH GLU 380.A OE2 no hydrogen 3.305 N/A GLU 380.A N SER 377.A OG no hydrogen 3.303 N/A TYR 381.A N SER 377.A O no hydrogen 2.811 N/A TYR 381.A OH ASP 434.A OD1 no hydrogen 3.311 N/A TYR 381.A OH ASP 434.A OD2 no hydrogen 2.493 N/A LEU 382.A N LEU 378.A O no hydrogen 3.021 N/A ASN 383.A N ASP 379.A O no hydrogen 3.294 N/A ILE 384.A N TYR 381.A O no hydrogen 2.702 N/A ALA 385.A N TYR 381.A O no hydrogen 2.885 N/A LYS 386.A N LEU 382.A O no hydrogen 3.004 N/A ILE 387.A N ILE 384.A O no hydrogen 2.612 N/A SER 388.A N ILE 384.A O no hydrogen 2.879 N/A SER 388.A OG GLU 366.A OE2 no hydrogen 2.741 N/A SER 388.A OG ALA 385.A O no hydrogen 3.161 N/A VAL 389.A N ALA 385.A O no hydrogen 3.114 N/A ALA 390.A N ILE 387.A O no hydrogen 2.927 N/A SER 391.A OG ALA 425.A O no hydrogen 3.038 N/A ILE 394.A N ALA 390.A O no hydrogen 3.008 N/A ILE 394.A N SER 391.A O no hydrogen 3.265 N/A ILE 395.A N SER 391.A O no hydrogen 3.043 N/A SER 396.A N PRO 392.A O no hydrogen 3.041 N/A SER 396.A OG SER 355.A OG no hydrogen 2.691 N/A SER 396.A OG PRO 392.A O no hydrogen 2.620 N/A THR 398.A N ILE 395.A O no hydrogen 2.945 N/A THR 398.A OG1 ILE 395.A O no hydrogen 2.706 N/A TYR 399.A N SER 396.A O no hydrogen 3.093 N/A TYR 399.A OH SER 406.A O no hydrogen 2.623 N/A THR 401.A N THR 398.A O no hydrogen 3.362 N/A THR 401.A OG1 THR 398.A O no hydrogen 2.550 N/A PHE 402.A N TYR 399.A O no hydrogen 3.404 N/A ALA 405.A N PHE 402.A O no hydrogen 2.926 N/A ASP 408.A N SER 406.A OG no hydrogen 3.125 N/A ALA 410.A N ASP 408.A OD1 no hydrogen 2.771 N/A VAL 411.A N ASP 408.A O no hydrogen 2.972 N/A ILE 412.A N ASP 408.A O no hydrogen 3.148 N/A ASP 413.A N THR 409.A O no hydrogen 2.731 N/A SER 414.A N ALA 410.A O no hydrogen 3.108 N/A LEU 415.A N VAL 411.A O no hydrogen 2.932 N/A TYR 416.A N ILE 412.A O no hydrogen 3.056 N/A TYR 416.A OH SER 355.A OG no hydrogen 2.783 N/A GLN 417.A N ASP 413.A O no hydrogen 3.031 N/A TYR 418.A OH ASP 358.A OD2 no hydrogen 2.701 N/A HIS 419.A N LEU 415.A O no hydrogen 3.202 N/A ILE 421.A N HIS 419.A ND1 no hydrogen 3.064 N/A CYS 423.A N HIS 419.A O no hydrogen 2.959 N/A CYS 423.A SG TYR 418.A O no hydrogen 2.977 N/A CYS 423.A SG HIS 419.A O no hydrogen 3.711 N/A LEU 424.A N ASP 420.A O no hydrogen 2.685 N/A ALA 425.A N ILE 421.A O no hydrogen 2.896 N/A GLY 426.A N LEU 422.A O no hydrogen 3.139 N/A ILE 427.A N CYS 423.A O no hydrogen 2.996 N/A ILE 428.A N LEU 424.A O no hydrogen 2.708 N/A LEU 429.A N ALA 425.A O no hydrogen 3.321 N/A ARG 430.A N GLY 426.A O no hydrogen 2.899 N/A ARG 430.A NE ALA 385.A O no hydrogen 2.940 N/A ARG 430.A NH1 ASP 434.A OD1 no hydrogen 2.901 N/A ARG 430.A NH2 ALA 385.A O no hydrogen 3.347 N/A LEU 431.A N ILE 427.A O no hydrogen 3.050 N/A ASP 433.A N LEU 429.A O no hydrogen 3.021 N/A ASP 434.A N ARG 430.A O no hydrogen 2.970 N/A LEU 435.A N LEU 431.A O no hydrogen 3.025 N/A GLY 436.A N PRO 432.A O no hydrogen 2.801 N/A THR 437.A N ASP 433.A O no hydrogen 2.795 N/A THR 437.A OG1 ASP 433.A O no hydrogen 2.740 N/A THR 437.A OG1 ASP 433.A OD1 no hydrogen 2.849 N/A THR 437.A OG1 GLU 441.A OE2 no hydrogen 2.948 N/A SER 438.A N ASP 434.A O no hydrogen 2.952 N/A SER 438.A OG ASP 434.A O no hydrogen 2.914 N/A PHE 440.A N THR 437.A O no hydrogen 3.188 N/A GLU 441.A N THR 437.A O no hydrogen 3.155 N/A LEU 442.A N SER 438.A O no hydrogen 2.714 N/A ARG 444.A N GLU 441.A O no hydrogen 3.233 N/A ARG 444.A NH2 ASP 292.A OD1 no hydrogen 2.617 N/A ARG 444.A NH2 GLY 445.A O no hydrogen 3.348 N/A GLY 445.A N LEU 442.A O no hydrogen 3.087 N/A VAL 447.A N ASP 446.A OD1 no hydrogen 2.781 N/A LYS 449.A NZ ASP 446.A OD2 no hydrogen 3.075 N/A THR 450.A N ASP 434.A OD2 no hydrogen 2.732 N/A THR 450.A OG1 ASP 434.A OD2 no hydrogen 2.852 N/A CYS 453.A N LYS 449.A O no hydrogen 2.839 N/A CYS 453.A SG PRO 376.A O no hydrogen 3.593 N/A CYS 453.A SG PRO 448.A O no hydrogen 3.306 N/A TYR 454.A N THR 450.A O no hydrogen 3.081 N/A MET 455.A N ILE 451.A O no hydrogen 2.832 N/A GLU 457.A N CYS 453.A O no hydrogen 3.222 N/A THR 458.A N TYR 454.A O no hydrogen 3.223 N/A THR 458.A OG1 TYR 454.A O no hydrogen 3.100 N/A SER 461.A N GLU 464.A OE1 no hydrogen 3.084 N/A GLU 463.A N GLU 463.A OE2 no hydrogen 2.708 N/A GLU 464.A N SER 461.A OG no hydrogen 3.375 N/A ALA 465.A N SER 461.A O no hydrogen 2.716 N/A VAL 466.A N GLU 462.A O no hydrogen 2.883 N/A GLU 467.A N GLU 463.A O no hydrogen 2.926 N/A HIS 468.A N GLU 464.A O no hydrogen 2.777 N/A VAL 469.A N ALA 465.A O no hydrogen 2.875 N/A LYS 470.A N VAL 466.A O no hydrogen 3.056 N/A PHE 471.A N GLU 467.A O no hydrogen 3.366 N/A LEU 472.A N HIS 468.A O no hydrogen 2.840 N/A ILE 473.A N VAL 469.A O no hydrogen 2.912 N/A ARG 474.A N LYS 470.A O no hydrogen 2.915 N/A GLU 475.A N PHE 471.A O no hydrogen 2.891 N/A ALA 476.A N LEU 472.A O no hydrogen 2.906 N/A TRP 477.A N ILE 473.A O no hydrogen 2.930 N/A TRP 477.A NE1 GLN 506.A OE1 no hydrogen 2.890 N/A LYS 478.A N ARG 474.A O no hydrogen 3.066 N/A LYS 478.A NZ GLU 475.A OE2 no hydrogen 2.792 N/A ASP 479.A N GLU 475.A O no hydrogen 2.824 N/A MET 480.A N ALA 476.A O no hydrogen 2.836 N/A ASN 481.A N TRP 477.A O no hydrogen 2.961 N/A ASN 481.A ND2 PHE 145.A O no hydrogen 3.226 N/A ASN 481.A ND2 LEU 147.A O no hydrogen 3.176 N/A THR 482.A N LYS 478.A O no hydrogen 2.959 N/A THR 482.A OG1 LYS 478.A O no hydrogen 2.791 N/A ALA 483.A N ASP 479.A O no hydrogen 2.766 N/A ILE 484.A N MET 480.A O no hydrogen 2.962 N/A ALA 485.A N ASN 481.A O no hydrogen 2.778 N/A ALA 486.A N THR 482.A O no hydrogen 2.788 N/A GLY 487.A N ILE 484.A O no hydrogen 3.068 N/A TYR 488.A OH ASP 492.A OD1 no hydrogen 2.740 N/A VAL 495.A N PRO 491.A O no hydrogen 3.243 N/A ALA 496.A N ASP 492.A O no hydrogen 2.913 N/A GLY 497.A N GLY 493.A O no hydrogen 3.207 N/A ALA 498.A N MET 494.A O no hydrogen 2.997 N/A ALA 499.A N VAL 495.A O no hydrogen 2.883 N/A ASN 500.A N ALA 496.A O no hydrogen 2.992 N/A ASN 500.A N GLY 497.A O no hydrogen 3.105 N/A ASN 500.A ND2 GLY 263.A O no hydrogen 3.092 N/A ASN 500.A ND2 GLU 266.A OE1 no hydrogen 3.027 N/A ILE 501.A N GLY 497.A O no hydrogen 2.888 N/A ARG 503.A NE HIS 187.A O no hydrogen 2.599 N/A ARG 503.A NH1 ASN 500.A OD1 no hydrogen 2.792 N/A ARG 503.A NH2 HIS 187.A O no hydrogen 2.983 N/A VAL 504.A N ASN 500.A O no hydrogen 2.948 N/A GLN 506.A N GLY 502.A O no hydrogen 3.080 N/A PHE 507.A N ARG 503.A O no hydrogen 3.078 N/A ILE 508.A N VAL 504.A O no hydrogen 2.871 N/A TYR 509.A N ALA 505.A O no hydrogen 3.116 N/A LEU 510.A N PHE 507.A O no hydrogen 3.191 N/A ASP 513.A N GLN 518.A OE1 no hydrogen 3.025 N/A PHE 515.A N ASP 513.A OD1 no hydrogen 3.095 N/A GLY 516.A N ASP 513.A OD1 no hydrogen 2.909 N/A HIS 519.A N GLY 516.A O no hydrogen 3.279 N/A HIS 519.A ND1 GLU 256.A OE2 no hydrogen 3.159 N/A LYS 521.A N GLN 518.A O no hydrogen 3.049 N/A THR 522.A N HIS 519.A O no hydrogen 2.666 N/A THR 522.A OG1 GLY 514.A O no hydrogen 3.285 N/A THR 522.A OG1 HIS 519.A O no hydrogen 3.246 N/A HIS 525.A NE2 VAL 193.A O no hydrogen 2.877 N/A ILE 526.A N THR 522.A O no hydrogen 3.021 N/A ALA 527.A N TYR 523.A O no hydrogen 2.911 N/A GLY 528.A N GLU 524.A O no hydrogen 3.080 N/A LEU 529.A N ILE 526.A O no hydrogen 3.091 N/A LEU 530.A N ILE 526.A O no hydrogen 2.910 N/A PHE 531.A N ALA 527.A O no hydrogen 3.000 N/A TYR 534.A N ASN 221.A OD1 no hydrogen 2.596 N/A TYR 534.A OH ASP 200.A OD1 no hydrogen 2.462 N/A