Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pge_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 ASP 126.A OD1 no hydrogen 3.018 N/A ASN 2.A ND2 ASP 126.A OD2 no hydrogen 3.047 N/A CYS 4.A N ASN 2.A OD1 no hydrogen 2.982 N/A CYS 5.A N ASN 2.A O no hydrogen 2.677 N/A TYR 6.A N PRO 3.A O no hydrogen 2.972 N/A TYR 7.A N CYS 4.A O no hydrogen 2.878 N/A TYR 7.A OH MET 131.A O no hydrogen 2.735 N/A GLN 10.A N ASN 36.A O no hydrogen 2.850 N/A HIS 11.A ND1 CYS 37.A O no hydrogen 2.786 N/A GLY 13.A N GLN 10.A O no hydrogen 2.880 N/A ILE 14.A N ASP 26.A O no hydrogen 2.766 N/A VAL 16.A N GLN 24.A O no hydrogen 2.716 N/A PHE 18.A N ARG 22.A O no hydrogen 3.009 N/A ARG 22.A N PHE 18.A O no hydrogen 2.799 N/A TYR 23.A OH ASN 36.A OD1 no hydrogen 2.692 N/A GLN 24.A N VAL 16.A O no hydrogen 2.748 N/A CYS 25.A SG PRO 35.A O no hydrogen 3.289 N/A CYS 25.A SG ASN 36.A OD1 no hydrogen 3.901 N/A ASP 26.A N ILE 14.A O no hydrogen 2.652 N/A CYS 27.A SG CYS 25.A O no hydrogen 3.947 N/A CYS 27.A SG GLY 34.A O no hydrogen 3.819 N/A THR 28.A N ASP 26.A OD1 no hydrogen 2.980 N/A THR 28.A OG1 ASP 26.A OD1 no hydrogen 2.614 N/A THR 30.A N CYS 27.A O no hydrogen 2.947 N/A THR 30.A OG1 CYS 27.A O no hydrogen 2.490 N/A THR 30.A OG1 TYR 32.A O no hydrogen 3.233 N/A TYR 32.A N THR 30.A OG1 no hydrogen 3.301 N/A SER 33.A N ILE 39.A O no hydrogen 2.669 N/A SER 33.A OG ILE 39.A O no hydrogen 2.867 N/A CYS 37.A N GLY 34.A O no hydrogen 3.404 N/A THR 38.A N SER 33.A O no hydrogen 2.864 N/A ILE 39.A N SER 33.A O no hydrogen 2.925 N/A GLU 41.A N GLY 31.A O no hydrogen 3.181 N/A THR 44.A OG1 GLY 31.A O no hydrogen 3.235 N/A TRP 45.A N GLU 41.A O no hydrogen 2.749 N/A LEU 46.A N ILE 42.A O no hydrogen 2.955 N/A ARG 47.A N TRP 43.A O no hydrogen 2.792 N/A THR 48.A N THR 44.A O no hydrogen 2.980 N/A THR 48.A OG1 THR 44.A O no hydrogen 2.699 N/A THR 48.A OG1 TRP 45.A O no hydrogen 3.032 N/A THR 49.A N TRP 45.A O no hydrogen 2.890 N/A THR 49.A OG1 TRP 45.A O no hydrogen 2.727 N/A THR 49.A OG1 LEU 46.A O no hydrogen 3.100 N/A ARG 51.A N THR 48.A O no hydrogen 3.265 N/A SER 55.A OG GLU 488.A OE2 no hydrogen 3.371 N/A PHE 56.A N SER 53.A OG no hydrogen 3.042 N/A ILE 57.A N SER 53.A O no hydrogen 3.053 N/A HIS 58.A N PRO 54.A O no hydrogen 2.881 N/A PHE 59.A N SER 55.A O no hydrogen 2.949 N/A LEU 60.A N PHE 56.A O no hydrogen 2.963 N/A LEU 61.A N ILE 57.A O no hydrogen 2.894 N/A THR 62.A N PHE 59.A O no hydrogen 3.214 N/A THR 62.A OG1 HIS 58.A O no hydrogen 2.901 N/A THR 62.A OG1 PHE 59.A O no hydrogen 3.006 N/A HIS 63.A N LEU 60.A O no hydrogen 3.313 N/A TRP 68.A N GLY 64.A O no hydrogen 2.965 N/A TRP 68.A NE1 LEU 60.A O no hydrogen 2.811 N/A ASP 69.A N ARG 65.A O no hydrogen 2.804 N/A PHE 70.A N TRP 66.A O no hydrogen 3.393 N/A PHE 70.A N LEU 67.A O no hydrogen 3.205 N/A VAL 71.A N LEU 67.A O no hydrogen 3.164 N/A ASN 72.A N TRP 68.A O no hydrogen 2.749 N/A ASN 72.A ND2 PHE 324.A O no hydrogen 3.060 N/A ALA 73.A N ASP 69.A O no hydrogen 3.251 N/A ALA 73.A N PHE 70.A O no hydrogen 2.715 N/A THR 74.A N VAL 71.A O no hydrogen 2.719 N/A THR 74.A OG1 VAL 71.A O no hydrogen 2.895 N/A ILE 76.A N THR 74.A OG1 no hydrogen 3.036 N/A ARG 77.A N THR 74.A O no hydrogen 3.457 N/A ARG 77.A NE GLN 326.A O no hydrogen 2.871 N/A ARG 77.A NH2 LEU 327.A O no hydrogen 3.231 N/A THR 79.A N PHE 75.A O no hydrogen 3.224 N/A THR 79.A OG1 PHE 75.A O no hydrogen 3.156 N/A LEU 80.A N ILE 76.A O no hydrogen 2.923 N/A MET 81.A N ARG 77.A O no hydrogen 2.798 N/A ARG 82.A N ASP 78.A O no hydrogen 2.837 N/A ARG 82.A NH1 LEU 333.A O no hydrogen 3.445 N/A LEU 83.A N THR 79.A O no hydrogen 2.875 N/A VAL 84.A N LEU 80.A O no hydrogen 2.851 N/A LEU 85.A N MET 81.A O no hydrogen 3.169 N/A THR 86.A N ARG 82.A O no hydrogen 3.031 N/A THR 86.A OG1 ARG 82.A O no hydrogen 3.485 N/A THR 86.A OG1 LEU 83.A O no hydrogen 3.044 N/A VAL 87.A N LEU 83.A O no hydrogen 2.842 N/A ARG 88.A N VAL 84.A O no hydrogen 2.798 N/A SER 89.A N LEU 85.A O no hydrogen 3.398 N/A SER 89.A OG LEU 85.A O no hydrogen 2.484 N/A ASN 90.A N THR 86.A O no hydrogen 3.138 N/A ILE 92.A N SER 89.A O no hydrogen 2.817 N/A SER 94.A OG PRO 93.A O no hydrogen 3.259 N/A SER 94.A OG ARG 342.A O no hydrogen 3.539 N/A THR 97.A OG1 ARG 118.A O no hydrogen 3.392 N/A TYR 98.A N THR 97.A OG1 no hydrogen 2.596 N/A ASN 99.A N HIS 102.A O no hydrogen 3.121 N/A HIS 102.A N ASN 99.A OD1 no hydrogen 2.610 N/A SER 109.A N SER 106.A OG no hydrogen 2.887 N/A SER 109.A OG THR 97.A O no hydrogen 3.078 N/A PHE 110.A N SER 106.A O no hydrogen 3.075 N/A SER 111.A N TRP 107.A O no hydrogen 2.823 N/A SER 111.A N GLU 108.A O no hydrogen 3.271 N/A SER 111.A OG TRP 107.A O no hydrogen 2.616 N/A ASN 112.A N GLU 108.A O no hydrogen 2.669 N/A ASN 112.A ND2 GLU 108.A OE2 no hydrogen 2.837 N/A SER 114.A N ASN 112.A OD1 no hydrogen 2.985 N/A SER 114.A OG ASN 112.A OD1 no hydrogen 3.428 N/A TYR 116.A N GLY 187.A O no hydrogen 2.841 N/A TYR 116.A OH THR 180.A OG1 no hydrogen 3.035 N/A THR 117.A N ILE 345.A O no hydrogen 3.042 N/A THR 117.A OG1 TYR 98.A O no hydrogen 2.987 N/A THR 117.A OG1 ARG 118.A O no hydrogen 3.488 N/A ARG 118.A N TYR 98.A O no hydrogen 3.225 N/A ARG 118.A NH1 LEU 120.A O no hydrogen 2.919 N/A ARG 118.A NH2 LEU 426.A O no hydrogen 2.579 N/A ILE 119.A N GLU 348.A OE1 no hydrogen 3.306 N/A ILE 119.A N GLU 348.A OE2 no hydrogen 2.819 N/A LEU 120.A N GLU 348.A OE2 no hydrogen 3.219 N/A SER 122.A OG ASP 103.A OD2 no hydrogen 2.695 N/A VAL 123.A N ARG 427.A O no hydrogen 2.907 N/A CYS 127.A N PRO 124.A O no hydrogen 3.227 N/A CYS 127.A SG PRO 124.A O no hydrogen 3.255 N/A THR 129.A N GLY 132.A O no hydrogen 2.877 N/A THR 129.A OG1 LYS 134.A O no hydrogen 2.699 N/A GLY 132.A N THR 129.A O no hydrogen 3.162 N/A THR 133.A OG1 CYS 5.A O no hydrogen 3.517 N/A LYS 136.A NZ GLU 461.A O no hydrogen 2.899 N/A LYS 137.A NZ PRO 128.A O no hydrogen 2.994 N/A PHE 144.A N ASP 141.A OD1 no hydrogen 3.083 N/A LEU 145.A N ASP 141.A O no hydrogen 2.835 N/A SER 146.A N ALA 142.A O no hydrogen 2.786 N/A SER 146.A N GLU 143.A O no hydrogen 3.008 N/A SER 146.A OG ALA 142.A O no hydrogen 2.878 N/A ARG 147.A N GLU 143.A O no hydrogen 2.923 N/A ARG 148.A N PHE 144.A O no hydrogen 2.874 N/A PHE 149.A N LEU 145.A O no hydrogen 3.360 N/A LEU 150.A N SER 146.A O no hydrogen 2.876 N/A LEU 151.A N SER 146.A O no hydrogen 2.933 N/A ARG 152.A N ILE 408.A O no hydrogen 3.046 N/A ARG 152.A NE ASN 407.A O no hydrogen 3.026 N/A ARG 152.A NE ASN 407.A OD1 no hydrogen 2.600 N/A ARG 152.A NH1 MET 359.A O no hydrogen 2.824 N/A ARG 152.A NH1 ASP 361.A OD1 no hydrogen 3.115 N/A ARG 152.A NH2 MET 359.A O no hydrogen 2.955 N/A ARG 152.A NH2 ASN 407.A O no hydrogen 2.664 N/A ARG 153.A NH2 ARG 147.A O no hydrogen 3.098 N/A ILE 156.A N ASN 407.A OD1 no hydrogen 2.975 N/A ASP 158.A N ALA 399.A O no hydrogen 2.982 N/A GLN 160.A N ASP 158.A OD1 no hydrogen 2.985 N/A GLN 160.A NE2 LEU 320.A O no hydrogen 2.985 N/A GLY 161.A N ASP 158.A O no hydrogen 3.226 N/A THR 162.A N ASP 158.A OD2 no hydrogen 2.702 N/A THR 162.A OG1 ASP 158.A OD2 no hydrogen 2.450 N/A ASN 163.A N PHE 548.A O no hydrogen 3.232 N/A ASN 163.A ND2 SER 395.A O no hydrogen 2.864 N/A ASN 163.A ND2 SER 547.A O no hydrogen 2.859 N/A LEU 164.A N PHE 394.A O no hydrogen 3.082 N/A LEU 164.A N GLN 397.A O no hydrogen 2.717 N/A MET 165.A N PHE 394.A O no hydrogen 3.049 N/A PHE 166.A N ASN 163.A OD1 no hydrogen 2.895 N/A ALA 167.A N ASN 163.A O no hydrogen 3.414 N/A PHE 168.A N LEU 164.A O no hydrogen 2.790 N/A PHE 169.A N MET 165.A O no hydrogen 2.937 N/A ALA 170.A N PHE 166.A O no hydrogen 2.819 N/A GLN 171.A N ALA 167.A O no hydrogen 2.939 N/A HIS 172.A N PHE 168.A O no hydrogen 2.758 N/A PHE 173.A N PHE 169.A O no hydrogen 2.734 N/A THR 174.A N ALA 170.A O no hydrogen 2.846 N/A THR 174.A OG1 ALA 170.A O no hydrogen 3.027 N/A THR 174.A OG1 GLN 171.A O no hydrogen 3.006 N/A THR 174.A OG1 HIS 175.A ND1 no hydrogen 3.145 N/A HIS 175.A N GLN 171.A O no hydrogen 3.218 N/A HIS 175.A N HIS 172.A O no hydrogen 3.222 N/A HIS 175.A ND1 THR 174.A OG1 no hydrogen 3.145 N/A GLN 176.A N PHE 173.A O no hydrogen 3.296 N/A PHE 177.A N THR 174.A O no hydrogen 3.276 N/A PHE 178.A N THR 174.A O no hydrogen 3.123 N/A LYS 179.A N TYR 116.A OH no hydrogen 2.961 N/A LYS 179.A NZ ASP 204.A OD1 no hydrogen 2.858 N/A LYS 179.A NZ GLU 258.A OE2 no hydrogen 3.432 N/A THR 180.A OG1 TYR 116.A OH no hydrogen 3.035 N/A SER 181.A N PHE 188.A O no hydrogen 2.698 N/A MET 184.A N SER 181.A O no hydrogen 3.036 N/A GLY 185.A N SER 181.A O no hydrogen 2.846 N/A THR 189.A N SER 114.A O no hydrogen 2.885 N/A THR 189.A OG1 LYS 179.A O no hydrogen 3.434 N/A LYS 190.A N LYS 179.A O no hydrogen 2.755 N/A ALA 191.A N THR 189.A OG1 no hydrogen 2.910 N/A LEU 192.A N LYS 190.A O no hydrogen 2.869 N/A HIS 194.A N ALA 191.A O no hydrogen 3.271 N/A HIS 194.A NE2 VAL 113.A O no hydrogen 2.769 N/A ASP 197.A N GLY 195.A O no hydrogen 3.022 N/A GLY 199.A N ASP 197.A OD1 no hydrogen 2.701 N/A ILE 201.A N LEU 198.A O no hydrogen 3.210 N/A TYR 202.A OH HIS 277.A ND1 no hydrogen 2.609 N/A ASN 205.A ND2 GLU 207.A OE1 no hydrogen 3.149 N/A ARG 208.A NE GLY 256.A O no hydrogen 2.896 N/A ARG 208.A NH1 LEU 240.A O no hydrogen 2.737 N/A ARG 208.A NH2 LEU 240.A O no hydrogen 3.186 N/A GLN 209.A N ASN 205.A O no hydrogen 2.970 N/A TYR 210.A N LEU 206.A O no hydrogen 2.785 N/A GLN 211.A N GLU 207.A O no hydrogen 2.863 N/A LEU 212.A N ARG 208.A O no hydrogen 3.216 N/A LEU 212.A N GLN 209.A O no hydrogen 2.830 N/A ARG 213.A N GLN 209.A O no hydrogen 2.927 N/A ARG 213.A N TYR 210.A O no hydrogen 3.230 N/A ARG 213.A NH1 GLU 294.A OE2 no hydrogen 3.060 N/A ARG 213.A NH2 ASP 293.A OD2 no hydrogen 2.800 N/A LEU 214.A N LYS 219.A O no hydrogen 3.116 N/A GLY 218.A N ASP 293.A OD1 no hydrogen 2.728 N/A LYS 219.A N LYS 216.A O no hydrogen 3.011 N/A LYS 219.A NZ ASP 282.A OD1 no hydrogen 2.964 N/A LYS 219.A NZ ASP 282.A OD2 no hydrogen 3.395 N/A LEU 220.A N ASN 278.A OD1 no hydrogen 2.737 N/A LYS 221.A N LEU 212.A O no hydrogen 2.875 N/A LYS 221.A NZ GLN 211.A O no hydrogen 3.254 N/A LYS 221.A NZ GLU 236.A O no hydrogen 3.211 N/A GLN 223.A N TYR 230.A O no hydrogen 2.890 N/A GLN 223.A NE2 PRO 231.A O no hydrogen 2.928 N/A LEU 225.A N GLU 228.A O no hydrogen 2.886 N/A ASN 226.A ND2 VAL 383.A O no hydrogen 3.429 N/A TYR 230.A N GLN 223.A O no hydrogen 2.840 N/A VAL 234.A N GLN 252.A O no hydrogen 2.857 N/A GLU 236.A N SER 233.A OG no hydrogen 2.817 N/A ALA 237.A N SER 233.A O no hydrogen 2.785 N/A VAL 239.A N ALA 237.A O no hydrogen 2.748 N/A HIS 242.A N GLU 258.A O no hydrogen 2.950 N/A ILE 247.A N PRO 244.A O no hydrogen 3.163 N/A GLN 250.A N GLN 250.A OE1 no hydrogen 2.566 N/A SER 251.A N PRO 248.A O no hydrogen 2.719 N/A GLN 252.A N PRO 249.A O no hydrogen 3.136 N/A GLN 252.A NE2 ILE 247.A O no hydrogen 2.532 N/A MET 253.A N TYR 243.A OH no hydrogen 2.836 N/A ALA 254.A N PRO 232.A O no hydrogen 3.037 N/A GLN 257.A NE2 HIS 175.A O no hydrogen 2.697 N/A VAL 259.A N GLN 257.A OE1 no hydrogen 3.304 N/A PHE 260.A N GLN 257.A O no hydrogen 2.804 N/A LEU 262.A N VAL 259.A O no hydrogen 3.199 N/A LEU 266.A N LEU 263.A O no hydrogen 2.840 N/A MET 267.A N LEU 263.A O no hydrogen 3.378 N/A LEU 268.A N PRO 264.A O no hydrogen 2.672 N/A TYR 269.A N GLY 265.A O no hydrogen 3.314 N/A TYR 269.A OH MET 165.A O no hydrogen 2.681 N/A ALA 270.A N LEU 266.A O no hydrogen 2.792 N/A THR 271.A N MET 267.A O no hydrogen 2.934 N/A THR 271.A N LEU 268.A O no hydrogen 2.861 N/A THR 271.A OG1 MET 267.A O no hydrogen 2.727 N/A ILE 272.A N LEU 268.A O no hydrogen 3.018 N/A TRP 273.A N TYR 269.A O no hydrogen 3.131 N/A LEU 274.A N ALA 270.A O no hydrogen 3.234 N/A ARG 275.A N THR 271.A O no hydrogen 2.934 N/A ARG 275.A NE ASN 539.A O no hydrogen 2.846 N/A ARG 275.A NH1 VAL 229.A O no hydrogen 2.604 N/A ARG 275.A NH2 ASN 539.A O no hydrogen 2.655 N/A GLU 276.A N ILE 272.A O no hydrogen 2.844 N/A HIS 277.A N TRP 273.A O no hydrogen 2.902 N/A HIS 277.A ND1 TYR 202.A OH no hydrogen 2.609 N/A HIS 277.A NE2 GLY 218.A O no hydrogen 2.891 N/A ASN 278.A N LEU 274.A O no hydrogen 3.125 N/A ASN 278.A ND2 LEU 220.A O no hydrogen 3.038 N/A ARG 279.A N ARG 275.A O no hydrogen 3.032 N/A VAL 280.A N GLU 276.A O no hydrogen 2.983 N/A CYS 281.A N HIS 277.A O no hydrogen 3.057 N/A CYS 281.A SG HIS 277.A O no hydrogen 3.281 N/A ASP 282.A N ASN 278.A O no hydrogen 3.169 N/A LEU 283.A N ARG 279.A O no hydrogen 3.220 N/A LEU 284.A N VAL 280.A O no hydrogen 3.012 N/A LYS 285.A N CYS 281.A O no hydrogen 3.080 N/A LYS 285.A NZ HIS 288.A O no hydrogen 3.047 N/A LYS 285.A NZ PRO 289.A O no hydrogen 2.929 N/A LYS 285.A NZ TRP 291.A O no hydrogen 2.726 N/A ALA 286.A N ASP 282.A O no hydrogen 3.216 N/A GLU 287.A N LEU 283.A O no hydrogen 3.187 N/A HIS 288.A N LEU 284.A O no hydrogen 2.670 N/A TRP 291.A N HIS 288.A O no hydrogen 3.058 N/A LEU 296.A N GLY 292.A O no hydrogen 3.039 N/A PHE 297.A N ASP 293.A O no hydrogen 2.783 N/A GLN 298.A N GLU 294.A O no hydrogen 2.668 N/A GLN 298.A NE2 GLU 294.A OE1 no hydrogen 3.151 N/A THR 299.A N GLN 295.A O no hydrogen 2.809 N/A THR 299.A OG1 GLN 295.A O no hydrogen 2.749 N/A ALA 300.A N LEU 296.A O no hydrogen 2.759 N/A ARG 301.A N PHE 297.A O no hydrogen 2.983 N/A ARG 301.A NE ASP 197.A O no hydrogen 3.319 N/A ARG 301.A NH2 ASP 197.A O no hydrogen 3.085 N/A LEU 302.A N GLN 298.A O no hydrogen 3.250 N/A ILE 303.A N THR 299.A O no hydrogen 2.950 N/A LEU 304.A N ALA 300.A O no hydrogen 2.912 N/A ILE 305.A N ARG 301.A O no hydrogen 2.980 N/A GLY 306.A N LEU 302.A O no hydrogen 3.176 N/A GLU 307.A N ILE 303.A O no hydrogen 2.879 N/A THR 308.A N LEU 304.A O no hydrogen 2.735 N/A THR 308.A OG1 LEU 304.A O no hydrogen 3.086 N/A ILE 309.A N ILE 305.A O no hydrogen 3.017 N/A LYS 310.A N GLY 306.A O no hydrogen 2.998 N/A LYS 310.A NZ GLU 314.A OE1 no hydrogen 3.377 N/A LYS 310.A NZ GLU 314.A OE2 no hydrogen 3.393 N/A LYS 310.A NZ LYS 528.A O no hydrogen 2.815 N/A ILE 311.A N GLU 307.A O no hydrogen 3.014 N/A VAL 312.A N THR 308.A O no hydrogen 2.855 N/A ILE 313.A N ILE 309.A O no hydrogen 3.096 N/A GLU 314.A N LYS 310.A O no hydrogen 2.899 N/A GLU 315.A N ILE 311.A O no hydrogen 3.237 N/A TYR 316.A N ILE 311.A O no hydrogen 3.030 N/A TYR 316.A OH TYR 353.A OH no hydrogen 2.873 N/A VAL 317.A N VAL 312.A O no hydrogen 2.617 N/A GLN 318.A NE2 TYR 323.A O no hydrogen 3.187 N/A GLN 318.A NE2 LEU 325.A O no hydrogen 2.969 N/A GLN 319.A N GLU 315.A O no hydrogen 2.861 N/A GLN 319.A NE2 GLN 160.A O no hydrogen 3.531 N/A GLN 319.A NE2 THR 162.A OG1 no hydrogen 3.140 N/A LEU 320.A N TYR 316.A O no hydrogen 3.119 N/A SER 321.A N VAL 317.A O no hydrogen 3.032 N/A SER 321.A OG VAL 317.A O no hydrogen 2.839 N/A SER 321.A OG GLN 318.A O no hydrogen 2.848 N/A GLY 322.A N GLN 318.A O no hydrogen 3.255 N/A PHE 324.A N LEU 61.A O no hydrogen 2.772 N/A GLN 326.A N ASN 72.A OD1 no hydrogen 2.745 N/A LEU 327.A N GLN 318.A OE1 no hydrogen 2.699 N/A LYS 328.A NZ ASP 78.A OD1 no hydrogen 3.206 N/A LYS 328.A NZ ASP 78.A OD2 no hydrogen 2.825 N/A LYS 328.A NZ ASP 330.A OD2 no hydrogen 3.385 N/A PHE 329.A N GLU 314.A OE2 no hydrogen 3.111 N/A GLU 332.A N ASP 330.A OD1 no hydrogen 3.321 N/A LEU 333.A N ASP 330.A O no hydrogen 2.942 N/A LEU 334.A N PRO 331.A O no hydrogen 3.338 N/A PHE 335.A N GLU 332.A O no hydrogen 2.939 N/A TYR 341.A OH CYS 508.A O no hydrogen 3.153 N/A ARG 342.A N GLN 340.A O no hydrogen 2.905 N/A ARG 344.A NH2 SER 109.A O no hydrogen 3.378 N/A ARG 344.A NH2 PHE 110.A O no hydrogen 2.558 N/A ILE 345.A N HIS 194.A ND1 no hydrogen 2.971 N/A MET 347.A N THR 117.A O no hydrogen 2.682 N/A GLU 348.A N GLU 348.A OE1 no hydrogen 2.792 N/A ASN 350.A N ALA 346.A O no hydrogen 3.209 N/A GLN 351.A N MET 347.A O no hydrogen 3.219 N/A GLN 351.A NE2 VAL 419.A O no hydrogen 3.067 N/A LEU 352.A N GLU 348.A O no hydrogen 3.060 N/A TYR 353.A N ASN 350.A O no hydrogen 3.184 N/A TYR 353.A OH TYR 316.A OH no hydrogen 2.873 N/A HIS 354.A N GLN 351.A O no hydrogen 2.657 N/A HIS 354.A ND1 ASN 350.A O no hydrogen 2.811 N/A HIS 356.A N HIS 354.A O no hydrogen 2.718 N/A LEU 358.A N TRP 355.A O no hydrogen 2.919 N/A MET 359.A N HIS 356.A O no hydrogen 3.152 N/A SER 362.A OG ASP 369.A OD1 no hydrogen 3.179 N/A SER 362.A OG ASP 369.A OD2 no hydrogen 3.041 N/A PHE 363.A N TYR 370.A O no hydrogen 2.700 N/A ARG 364.A N GLN 397.A OE1 no hydrogen 2.896 N/A VAL 365.A N GLN 368.A O no hydrogen 2.784 N/A TYR 370.A N PHE 363.A O no hydrogen 2.695 N/A TYR 370.A OH TYR 385.A OH no hydrogen 2.822 N/A SER 371.A N GLN 374.A OE1 no hydrogen 2.888 N/A TYR 372.A OH PRO 360.A O no hydrogen 2.631 N/A GLN 374.A N SER 371.A O no hydrogen 2.748 N/A PHE 375.A N SER 371.A O no hydrogen 2.772 N/A PHE 375.A N TYR 372.A O no hydrogen 3.046 N/A LEU 376.A N TYR 372.A O no hydrogen 2.815 N/A ASN 378.A N PHE 375.A O no hydrogen 2.988 N/A ASN 378.A ND2 GLN 374.A O no hydrogen 2.946 N/A SER 380.A N ASN 378.A OD1 no hydrogen 2.799 N/A SER 380.A OG ASN 378.A OD1 no hydrogen 2.852 N/A SER 380.A OG ASP 384.A OD2 no hydrogen 2.835 N/A MET 381.A N ASN 378.A OD1 no hydrogen 2.701 N/A ASP 384.A N SER 380.A O no hydrogen 2.852 N/A TYR 385.A N MET 381.A O no hydrogen 2.875 N/A TYR 385.A OH VAL 365.A O no hydrogen 3.376 N/A TYR 385.A OH TYR 370.A OH no hydrogen 2.822 N/A GLY 386.A N LEU 382.A O no hydrogen 2.677 N/A LEU 390.A N GLY 386.A O no hydrogen 3.243 N/A VAL 391.A N VAL 387.A O no hydrogen 2.908 N/A ASP 392.A N GLU 388.A O no hydrogen 2.978 N/A ALA 393.A N ALA 389.A O no hydrogen 3.056 N/A PHE 394.A N LEU 390.A O no hydrogen 2.895 N/A SER 395.A N VAL 391.A O no hydrogen 2.735 N/A SER 395.A OG VAL 391.A O no hydrogen 2.790 N/A SER 395.A OG TYR 545.A O no hydrogen 3.393 N/A ARG 396.A N ALA 393.A O no hydrogen 2.754 N/A ARG 396.A NE ASP 392.A OD1 no hydrogen 3.110 N/A ARG 396.A NE ASP 392.A OD2 no hydrogen 2.875 N/A ARG 396.A NH2 ASP 392.A OD1 no hydrogen 2.983 N/A GLN 397.A N ALA 393.A O no hydrogen 2.879 N/A GLN 397.A NE2 SER 362.A O no hydrogen 2.741 N/A ALA 399.A N THR 162.A O no hydrogen 2.994 N/A GLY 400.A N LEU 358.A O no hydrogen 2.932 N/A ARG 401.A N ILE 156.A O no hydrogen 3.116 N/A GLY 403.A N ILE 485.A O no hydrogen 2.716 N/A ARG 406.A N PHE 149.A O no hydrogen 2.633 N/A ASN 407.A ND2 ILE 156.A O no hydrogen 2.907 N/A ASN 407.A ND2 ARG 401.A O no hydrogen 2.820 N/A ILE 408.A N LEU 150.A O no hydrogen 2.975 N/A HIS 411.A N ASP 409.A OD1 no hydrogen 2.756 N/A ILE 412.A N ASP 409.A O no hydrogen 2.884 N/A LEU 413.A N HIS 410.A O no hydrogen 3.341 N/A VAL 415.A N ILE 412.A O no hydrogen 2.962 N/A VAL 417.A N LEU 413.A O no hydrogen 3.254 N/A ASP 418.A N HIS 414.A O no hydrogen 2.966 N/A VAL 419.A N VAL 415.A O no hydrogen 2.862 N/A ILE 420.A N ALA 416.A O no hydrogen 3.203 N/A LYS 421.A N VAL 417.A O no hydrogen 3.237 N/A GLU 422.A N ASP 418.A O no hydrogen 2.811 N/A SER 423.A N VAL 419.A O no hydrogen 2.960 N/A SER 423.A OG ILE 420.A O no hydrogen 3.115 N/A ARG 424.A N ILE 420.A O no hydrogen 3.180 N/A ARG 424.A NE GLU 470.A OE1 no hydrogen 3.091 N/A ARG 424.A NE GLU 470.A OE2 no hydrogen 3.319 N/A ARG 424.A NH1 PRO 140.A O no hydrogen 3.198 N/A ARG 424.A NH2 PRO 140.A O no hydrogen 2.778 N/A ARG 424.A NH2 GLU 470.A OE2 no hydrogen 2.697 N/A VAL 425.A N LYS 421.A O no hydrogen 3.050 N/A LEU 426.A N GLU 422.A O no hydrogen 2.963 N/A ARG 427.A N ARG 424.A O no hydrogen 2.889 N/A ARG 427.A NE VAL 123.A O no hydrogen 2.533 N/A ARG 427.A NH2 VAL 123.A O no hydrogen 2.975 N/A ARG 427.A NH2 PRO 124.A O no hydrogen 3.335 N/A LEU 428.A N SER 423.A O no hydrogen 3.167 N/A GLN 429.A NE2 PRO 121.A O no hydrogen 3.116 N/A PHE 431.A N LEU 469.A O no hydrogen 2.896 N/A ASN 432.A ND2 TYR 443.A O no hydrogen 2.749 N/A ASN 432.A ND2 ASP 467.A OD1 no hydrogen 2.940 N/A GLU 433.A N PRO 430.A O no hydrogen 2.921 N/A TYR 434.A N PRO 430.A O no hydrogen 3.237 N/A TYR 434.A OH GLU 348.A OE2 no hydrogen 2.716 N/A ARG 435.A N PHE 431.A O no hydrogen 2.889 N/A ARG 435.A NE LYS 441.A O no hydrogen 2.992 N/A ARG 435.A NH1 GLU 488.A OE1 no hydrogen 2.726 N/A ARG 435.A NH1 SER 489.A OG no hydrogen 2.762 N/A ARG 435.A NH2 LYS 441.A O no hydrogen 3.059 N/A ARG 435.A NH2 GLU 488.A OE1 no hydrogen 2.792 N/A LYS 436.A N ASN 432.A O no hydrogen 3.297 N/A LYS 436.A NZ GLU 433.A OE2 no hydrogen 3.037 N/A ARG 437.A N GLU 433.A O no hydrogen 2.871 N/A ARG 437.A NE ARG 437.A O no hydrogen 3.016 N/A PHE 438.A N TYR 434.A O no hydrogen 2.847 N/A GLY 439.A N LYS 436.A O no hydrogen 2.770 N/A MET 440.A N ARG 435.A O no hydrogen 2.734 N/A TYR 443.A N ASN 432.A OD1 no hydrogen 2.671 N/A TYR 443.A OH GLU 478.A OE2 no hydrogen 2.749 N/A THR 444.A N GLU 448.A OE1 no hydrogen 2.716 N/A THR 444.A OG1 GLU 448.A OE1 no hydrogen 2.778 N/A GLU 448.A N SER 445.A O no hydrogen 3.228 N/A LEU 449.A N SER 445.A O no hydrogen 3.326 N/A THR 450.A N PHE 446.A O no hydrogen 3.070 N/A THR 450.A OG1 PHE 446.A O no hydrogen 3.427 N/A THR 450.A OG1 GLU 452.A O no hydrogen 3.327 N/A THR 450.A OG1 GLU 452.A OE1 no hydrogen 3.018 N/A GLU 452.A N THR 450.A OG1 no hydrogen 3.324 N/A MET 455.A N GLU 452.A OE2 no hydrogen 2.793 N/A ALA 456.A N GLU 452.A OE1 no hydrogen 2.831 N/A ALA 457.A N LYS 453.A O no hydrogen 3.254 N/A GLU 458.A N GLU 454.A O no hydrogen 3.375 N/A LEU 459.A N MET 455.A O no hydrogen 2.826 N/A GLU 460.A N ALA 456.A O no hydrogen 2.991 N/A GLU 461.A N ALA 457.A O no hydrogen 3.011 N/A LEU 462.A N GLU 458.A O no hydrogen 2.740 N/A TYR 463.A N LEU 459.A O no hydrogen 2.752 N/A TYR 463.A OH GLU 470.A OE2 no hydrogen 2.896 N/A GLY 464.A N GLU 460.A O no hydrogen 2.717 N/A ASP 467.A N ASP 465.A OD1 no hydrogen 2.702 N/A ALA 468.A N ASP 465.A O no hydrogen 2.788 N/A LEU 469.A N ILE 466.A O no hydrogen 3.015 N/A TYR 472.A OH HIS 354.A O no hydrogen 2.811 N/A GLY 474.A N GLU 470.A O no hydrogen 3.144 N/A LEU 475.A N PHE 471.A O no hydrogen 2.798 N/A LEU 476.A N TYR 472.A O no hydrogen 2.970 N/A LEU 477.A N PRO 473.A O no hydrogen 2.915 N/A GLU 478.A N GLY 474.A O no hydrogen 2.972 N/A LYS 479.A N LEU 449.A O no hydrogen 2.916 N/A LYS 479.A NZ GLU 448.A O no hydrogen 2.655 N/A LYS 479.A NZ LEU 449.A O no hydrogen 3.493 N/A CYS 480.A SG SER 484.A O no hydrogen 3.992 N/A HIS 481.A N PHE 486.A O no hydrogen 3.177 N/A SER 484.A N HIS 481.A O no hydrogen 2.829 N/A SER 484.A OG HIS 481.A O no hydrogen 3.332 N/A ILE 485.A N GLN 160.A OE1 no hydrogen 2.720 N/A SER 489.A N GLU 478.A OE1 no hydrogen 2.906 N/A SER 489.A OG GLU 478.A OE1 no hydrogen 3.373 N/A SER 489.A OG GLU 478.A OE2 no hydrogen 2.653 N/A ILE 491.A N GLU 488.A O no hydrogen 3.178 N/A GLU 492.A N GLU 488.A O no hydrogen 2.852 N/A MET 493.A N SER 489.A O no hydrogen 2.883 N/A GLY 494.A N MET 490.A O no hydrogen 3.233 N/A ALA 495.A N ILE 491.A O no hydrogen 2.820 N/A SER 498.A N GLY 494.A O no hydrogen 2.853 N/A LEU 499.A N ALA 495.A O no hydrogen 2.750 N/A LYS 500.A N PRO 496.A O no hydrogen 2.993 N/A LYS 500.A NZ SER 94.A OG no hydrogen 3.246 N/A GLY 501.A N PHE 497.A O no hydrogen 3.294 N/A LEU 502.A N LEU 499.A O no hydrogen 3.175 N/A LEU 503.A N LEU 499.A O no hydrogen 2.922 N/A GLY 504.A N LYS 500.A O no hydrogen 2.764 N/A ILE 507.A N ASN 505.A OD1 no hydrogen 2.857 N/A CYS 508.A N ASN 505.A O no hydrogen 2.836 N/A CYS 508.A SG LEU 502.A O no hydrogen 3.958 N/A SER 509.A N PRO 506.A O no hydrogen 2.979 N/A SER 509.A OG PRO 506.A O no hydrogen 2.711 N/A TYR 512.A N SER 509.A O no hydrogen 3.154 N/A TYR 512.A N SER 509.A OG no hydrogen 3.389 N/A TRP 513.A N SER 509.A O no hydrogen 2.830 N/A LYS 514.A N TYR 512.A O no hydrogen 2.816 N/A LYS 514.A NZ GLU 511.A O no hydrogen 2.879 N/A LYS 514.A NZ GLU 511.A OE2 no hydrogen 3.160 N/A THR 517.A N LYS 514.A O no hydrogen 3.158 N/A THR 517.A OG1 TYR 512.A O no hydrogen 2.702 N/A THR 517.A OG1 LYS 514.A O no hydrogen 3.402 N/A PHE 518.A N ALA 515.A O no hydrogen 3.165 N/A GLY 519.A N SER 516.A O no hydrogen 3.070 N/A GLY 520.A N ALA 515.A O no hydrogen 2.989 N/A PHE 524.A N GLY 520.A O no hydrogen 2.970 N/A ASN 525.A N GLU 521.A O no hydrogen 2.723 N/A LEU 526.A N VAL 522.A O no hydrogen 3.179 N/A VAL 527.A N GLY 523.A O no hydrogen 3.268 N/A LYS 528.A N PHE 524.A O no hydrogen 2.892 N/A THR 529.A N ASN 525.A O no hydrogen 2.669 N/A THR 529.A N LEU 526.A O no hydrogen 3.310 N/A THR 529.A OG1 ASN 525.A O no hydrogen 2.506 N/A ALA 530.A N LEU 526.A O no hydrogen 2.914 N/A ALA 530.A N VAL 527.A O no hydrogen 3.325 N/A THR 531.A OG1 GLU 315.A OE1 no hydrogen 3.150 N/A THR 531.A OG1 GLU 315.A OE2 no hydrogen 3.192 N/A LEU 532.A N GLU 315.A OE1 no hydrogen 3.190 N/A LEU 532.A N GLU 315.A OE2 no hydrogen 3.185 N/A LEU 535.A N THR 531.A O no hydrogen 2.766 N/A VAL 536.A N LEU 532.A O no hydrogen 3.238 N/A CYS 537.A N LYS 533.A O no hydrogen 2.730 N/A LEU 538.A N LYS 534.A O no hydrogen 3.019 N/A ASN 539.A N VAL 536.A O no hydrogen 2.769 N/A ASN 539.A ND2 GLU 276.A OE1 no hydrogen 2.992 N/A ASN 539.A ND2 LEU 535.A O no hydrogen 2.900 N/A THR 540.A OG1 VAL 536.A O no hydrogen 3.267 N/A THR 540.A OG1 THR 542.A O no hydrogen 3.000 N/A LYS 541.A N GLU 388.A OE2 no hydrogen 2.992 N/A CYS 543.A SG PRO 544.A O no hydrogen 3.640 N/A TYR 545.A OH HIS 549.A O no hydrogen 2.653 N/A SER 547.A OG HIS 549.A O no hydrogen 3.294 N/A HIS 549.A N SER 547.A OG no hydrogen 2.978 N/A HIS 549.A ND1 VAL 550.A O no hydrogen 2.584 N/A VAL 550.A N GLY 161.A O no hydrogen 2.737 N/A