Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4f5s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A OG CYS 62.A O no hydrogen 2.642 N/A HIS 9.A N SER 5.A O no hydrogen 3.043 N/A ARG 10.A N GLU 6.A O no hydrogen 3.282 N/A ARG 10.A NH1 ASP 254.A OD1 no hydrogen 3.051 N/A PHE 11.A N ILE 7.A O no hydrogen 2.957 N/A LYS 12.A N ALA 8.A O no hydrogen 3.354 N/A ASP 13.A N HIS 9.A O no hydrogen 3.223 N/A LEU 14.A N ARG 10.A O no hydrogen 3.073 N/A GLY 15.A N PHE 11.A O no hydrogen 2.927 N/A PHE 19.A N GLY 15.A O no hydrogen 2.958 N/A LYS 20.A N GLU 16.A O no hydrogen 2.793 N/A LYS 20.A NZ ASN 44.A OD1 no hydrogen 2.262 N/A GLY 21.A N GLU 17.A O no hydrogen 2.946 N/A LEU 22.A N HIS 18.A O no hydrogen 2.927 N/A VAL 23.A N PHE 19.A O no hydrogen 3.096 N/A LEU 24.A N LYS 20.A O no hydrogen 2.880 N/A ILE 25.A N GLY 21.A O no hydrogen 3.116 N/A ALA 26.A N LEU 22.A O no hydrogen 2.917 N/A PHE 27.A N VAL 23.A O no hydrogen 2.954 N/A SER 28.A N LEU 24.A O no hydrogen 2.966 N/A SER 28.A OG LEU 24.A O no hydrogen 3.144 N/A GLN 29.A N ILE 25.A O no hydrogen 2.957 N/A GLN 29.A NE2 HIS 145.A O no hydrogen 3.280 N/A GLN 29.A NE2 PHE 148.A O no hydrogen 3.624 N/A TYR 30.A N ALA 26.A O no hydrogen 3.239 N/A LEU 31.A N PHE 27.A O no hydrogen 2.931 N/A GLN 32.A NE2 ASP 107.A O no hydrogen 3.236 N/A GLN 32.A NE2 ARG 143.A O no hydrogen 2.978 N/A GLN 33.A N TYR 84.A OH no hydrogen 2.930 N/A CYS 34.A SG TYR 84.A OH no hydrogen 3.263 N/A VAL 40.A N PHE 36.A O no hydrogen 3.073 N/A LYS 41.A N ASP 37.A O no hydrogen 3.247 N/A LYS 41.A NZ ASP 37.A O no hydrogen 2.724 N/A LEU 42.A N GLU 38.A O no hydrogen 3.140 N/A VAL 43.A N HIS 39.A O no hydrogen 2.876 N/A ASN 44.A N VAL 40.A O no hydrogen 2.973 N/A GLU 45.A N LYS 41.A O no hydrogen 3.102 N/A LEU 46.A N LEU 42.A O no hydrogen 3.186 N/A THR 47.A N VAL 43.A O no hydrogen 2.873 N/A THR 47.A OG1 VAL 43.A O no hydrogen 2.931 N/A GLU 48.A N ASN 44.A O no hydrogen 2.691 N/A PHE 49.A N GLU 45.A O no hydrogen 3.076 N/A ALA 50.A N LEU 46.A O no hydrogen 2.795 N/A LYS 51.A N THR 47.A O no hydrogen 3.112 N/A LYS 51.A NZ GLU 16.A OE2 no hydrogen 2.956 N/A THR 52.A N GLU 48.A O no hydrogen 3.021 N/A CYS 53.A N PHE 49.A O no hydrogen 3.211 N/A CYS 53.A N ALA 50.A O no hydrogen 3.064 N/A CYS 53.A SG PHE 49.A O no hydrogen 3.304 N/A VAL 54.A N ALA 50.A O no hydrogen 3.118 N/A ALA 55.A N LYS 51.A O no hydrogen 2.735 N/A ASP 56.A N THR 52.A O no hydrogen 2.812 N/A HIS 59.A N ASP 56.A O no hydrogen 3.459 N/A CYS 62.A N HIS 59.A O no hydrogen 3.266 N/A CYS 62.A SG ASP 56.A O no hydrogen 3.948 N/A CYS 62.A SG HIS 59.A O no hydrogen 3.277 N/A GLU 63.A N GLU 63.A OE2 no hydrogen 2.415 N/A LYS 64.A N GLY 61.A O no hydrogen 3.046 N/A SER 65.A OG.B THR 68.A OG1 no hydrogen 2.884 N/A HIS 67.A N SER 65.A OG.B no hydrogen 3.180 N/A HIS 67.A NE2 ASP 248.A OD1 no hydrogen 2.733 N/A THR 68.A N SER 65.A OG.B no hydrogen 3.235 N/A THR 68.A OG1 SER 65.A OG.B no hydrogen 2.884 N/A LEU 69.A N SER 65.A O no hydrogen 3.191 N/A PHE 70.A N LEU 66.A O no hydrogen 2.956 N/A GLY 71.A N HIS 67.A O no hydrogen 2.403 N/A ASP 72.A N THR 68.A O no hydrogen 2.628 N/A GLU 73.A N LEU 69.A O no hydrogen 3.355 N/A GLU 73.A N PHE 70.A O no hydrogen 3.085 N/A LEU 74.A N PHE 70.A O no hydrogen 3.178 N/A CYS 75.A N GLY 71.A O no hydrogen 3.164 N/A CYS 75.A SG GLY 71.A O no hydrogen 3.559 N/A LYS 76.A N GLU 73.A O no hydrogen 3.343 N/A VAL 77.A N LEU 74.A O no hydrogen 3.189 N/A LEU 80.A N VAL 77.A O no hydrogen 3.171 N/A ARG 81.A NH1.B ASP 89.A OD1 no hydrogen 3.393 N/A ARG 81.A NH2.B ASP 89.A OD1 no hydrogen 2.730 N/A ARG 81.A NH2.B ASP 89.A OD2 no hydrogen 3.107 N/A TYR 84.A N LEU 80.A O no hydrogen 2.468 N/A GLY 85.A N ARG 81.A O no hydrogen 2.672 N/A MET 87.A N TYR 84.A O no hydrogen 3.292 N/A ALA 88.A N GLY 85.A O no hydrogen 3.055 N/A ASP 89.A N ASP 86.A O no hydrogen 3.319 N/A CYS 90.A N MET 87.A O no hydrogen 2.940 N/A CYS 90.A SG MET 87.A O no hydrogen 3.096 N/A GLU 92.A N ASP 89.A O no hydrogen 3.102 N/A LYS 93.A N CYS 90.A O no hydrogen 3.093 N/A GLU 97.A N GLU 97.A OE2 no hydrogen 3.136 N/A ARG 98.A N GLN 94.A O no hydrogen 2.768 N/A ARG 98.A NE GLU 95.A OE1 no hydrogen 3.410 N/A ARG 98.A NH1 ASP 72.A OD1 no hydrogen 3.432 N/A ARG 98.A NH2 THR 68.A O no hydrogen 3.175 N/A ARG 98.A NH2 ASP 72.A OD1 no hydrogen 3.150 N/A ARG 98.A NH2 GLU 95.A OE1 no hydrogen 3.294 N/A ASN 99.A N GLU 95.A OE2 no hydrogen 3.424 N/A GLU 100.A N PRO 96.A O no hydrogen 3.080 N/A CYS 101.A N GLU 97.A O no hydrogen 3.210 N/A PHE 102.A N ARG 98.A O no hydrogen 3.331 N/A LEU 103.A N ASN 99.A O no hydrogen 3.237 N/A SER 104.A N GLU 100.A O no hydrogen 3.090 N/A SER 104.A OG GLU 100.A O no hydrogen 3.504 N/A SER 104.A OG CYS 101.A O no hydrogen 2.758 N/A HIS 105.A N PHE 102.A O no hydrogen 3.022 N/A HIS 105.A ND1 CYS 101.A O no hydrogen 3.087 N/A HIS 105.A NE2 ASP 86.A OD2 no hydrogen 2.230 N/A LYS 106.A N LEU 103.A O no hydrogen 2.672 N/A LYS 106.A NZ PRO 146.A O no hydrogen 3.006 N/A ASP 107.A N GLN 32.A OE1 no hydrogen 2.770 N/A SER 109.A N ASP 107.A OD1 no hydrogen 2.820 N/A THR 121.A N ASP 118.A OD1 no hydrogen 3.007 N/A THR 121.A OG1 GLU 125.A OE1 no hydrogen 3.514 N/A LEU 122.A N ASP 118.A O no hydrogen 2.892 N/A CYS 123.A N PRO 119.A O no hydrogen 2.467 N/A ASP 124.A N ASN 120.A O no hydrogen 2.778 N/A GLU 125.A N THR 121.A O no hydrogen 3.260 N/A GLU 125.A N LEU 122.A O no hydrogen 3.228 N/A LYS 127.A N CYS 123.A O no hydrogen 3.507 N/A ALA 128.A N ASP 124.A O no hydrogen 3.313 N/A LYS 132.A N ASP 129.A OD1 no hydrogen 2.713 N/A PHE 133.A N ASP 129.A O no hydrogen 2.988 N/A TRP 134.A N GLU 130.A O no hydrogen 3.258 N/A TRP 134.A NE1 ASN 158.A OD1 no hydrogen 2.835 N/A GLY 135.A N LYS 131.A O no hydrogen 3.161 N/A LYS 136.A N LYS 132.A O no hydrogen 2.841 N/A TYR 137.A N PHE 133.A O no hydrogen 3.257 N/A TYR 137.A N TRP 134.A O no hydrogen 3.282 N/A LEU 138.A N TRP 134.A O no hydrogen 3.201 N/A TYR 139.A N GLY 135.A O no hydrogen 2.820 N/A TYR 139.A OH CYS 34.A O no hydrogen 2.557 N/A GLU 140.A N LYS 136.A O no hydrogen 3.032 N/A GLU 140.A N TYR 137.A O no hydrogen 3.017 N/A ILE 141.A N TYR 137.A O no hydrogen 3.068 N/A ALA 142.A N LEU 138.A O no hydrogen 3.032 N/A ARG 143.A N TYR 139.A O no hydrogen 3.255 N/A ARG 143.A NE GLN 32.A O no hydrogen 3.123 N/A ARG 143.A NH1 GLU 140.A OE2 no hydrogen 2.594 N/A ARG 143.A NH2 GLN 32.A O no hydrogen 2.988 N/A ARG 144.A NH1 GLU 140.A O no hydrogen 3.024 N/A ARG 144.A NH2 PRO 113.A O no hydrogen 2.924 N/A HIS 145.A N ILE 141.A O no hydrogen 2.722 N/A HIS 145.A ND1 SER 192.A OG no hydrogen 3.032 N/A PHE 148.A N HIS 145.A O no hydrogen 3.040 N/A LEU 153.A N TYR 149.A O no hydrogen 3.273 N/A LEU 154.A N ALA 150.A O no hydrogen 3.361 N/A TYR 156.A N GLU 152.A O no hydrogen 2.889 N/A ALA 157.A N LEU 153.A O no hydrogen 2.907 N/A ASN 158.A N LEU 154.A O no hydrogen 2.782 N/A LYS 159.A N TYR 155.A O no hydrogen 2.917 N/A TYR 160.A N ALA 157.A O no hydrogen 3.196 N/A ASN 161.A N ALA 157.A O no hydrogen 3.143 N/A ASN 161.A ND2 GLU 130.A O no hydrogen 2.936 N/A GLY 162.A N ASN 158.A O no hydrogen 3.096 N/A VAL 163.A N LYS 159.A O no hydrogen 3.095 N/A PHE 164.A N TYR 160.A O no hydrogen 3.353 N/A GLN 165.A N ASN 161.A O no hydrogen 2.813 N/A GLN 165.A NE2 GLN 165.A O no hydrogen 2.616 N/A GLU 166.A N GLY 162.A O no hydrogen 3.052 N/A CYS 167.A N VAL 163.A O no hydrogen 2.460 N/A CYS 168.A N PHE 164.A O no hydrogen 2.973 N/A ALA 170.A N CYS 167.A O no hydrogen 3.221 N/A GLU 171.A N GLU 171.A OE2 no hydrogen 2.418 N/A LYS 173.A NZ ASN 120.A OD1 no hydrogen 3.072 N/A ALA 175.A N ASP 172.A OD1 no hydrogen 2.861 N/A CYS 176.A N ASP 172.A O no hydrogen 3.196 N/A CYS 176.A N LYS 173.A O no hydrogen 2.841 N/A LEU 177.A N LYS 173.A O no hydrogen 2.812 N/A LEU 177.A N GLY 174.A O no hydrogen 3.053 N/A LEU 178.A N GLY 174.A O no hydrogen 3.328 N/A ILE 181.A N LEU 177.A O no hydrogen 2.931 N/A GLU 182.A N LEU 178.A O no hydrogen 2.953 N/A THR 183.A N PRO 179.A O no hydrogen 2.937 N/A THR 183.A OG1 PRO 179.A O no hydrogen 2.743 N/A MET 184.A N LYS 180.A O no hydrogen 2.923 N/A ARG 185.A N ILE 181.A O no hydrogen 2.548 N/A GLU 186.A N GLU 182.A O no hydrogen 3.289 N/A LYS 187.A N MET 184.A O no hydrogen 2.718 N/A VAL 188.A N MET 184.A O no hydrogen 3.198 N/A LEU 189.A N ARG 185.A O no hydrogen 3.123 N/A THR 190.A N GLU 186.A O no hydrogen 3.032 N/A THR 190.A OG1 GLU 186.A O no hydrogen 3.321 N/A SER 191.A N LYS 187.A O no hydrogen 3.023 N/A SER 191.A N VAL 188.A O no hydrogen 2.980 N/A SER 192.A N VAL 188.A O no hydrogen 2.890 N/A SER 192.A OG HIS 145.A ND1 no hydrogen 3.032 N/A ALA 193.A N LEU 189.A O no hydrogen 2.979 N/A ARG 194.A N THR 190.A O no hydrogen 3.099 N/A ARG 194.A NH1 ASP 450.A OD1 no hydrogen 3.167 N/A GLN 195.A N SER 191.A O no hydrogen 3.040 N/A ARG 196.A N SER 192.A O no hydrogen 2.918 N/A ARG 196.A NE ASP 108.A OD1 no hydrogen 2.839 N/A ARG 196.A NE ASP 108.A OD2 no hydrogen 3.448 N/A ARG 196.A NH1 ARG 196.A O no hydrogen 3.132 N/A ARG 196.A NH2 ASP 108.A OD2 no hydrogen 3.332 N/A LEU 197.A N ALA 193.A O no hydrogen 3.218 N/A LEU 197.A N ARG 194.A O no hydrogen 3.187 N/A ARG 198.A N ARG 194.A O no hydrogen 3.198 N/A ARG 198.A NE GLN 195.A OE1 no hydrogen 2.544 N/A ARG 198.A NH2 GLN 195.A OE1 no hydrogen 2.953 N/A CYS 199.A N GLN 195.A O no hydrogen 2.947 N/A CYS 199.A SG GLN 195.A O no hydrogen 3.446 N/A ALA 200.A N ARG 196.A O no hydrogen 2.983 N/A SER 201.A N LEU 197.A O no hydrogen 2.829 N/A SER 201.A OG LEU 197.A O no hydrogen 2.540 N/A SER 201.A OG ARG 198.A O no hydrogen 3.478 N/A ILE 202.A N ARG 198.A O no hydrogen 3.410 N/A GLN 203.A N CYS 199.A O no hydrogen 3.002 N/A LYS 204.A N SER 201.A O no hydrogen 3.465 N/A PHE 205.A N SER 201.A O no hydrogen 2.636 N/A GLY 206.A N ILE 202.A O no hydrogen 3.079 N/A ARG 208.A NH1 GLU 353.A OE2 no hydrogen 3.216 N/A ARG 208.A NH2 GLU 353.A OE1 no hydrogen 3.376 N/A ALA 209.A N GLY 206.A O no hydrogen 3.071 N/A LYS 211.A N GLU 207.A O no hydrogen 3.071 N/A ALA 212.A N ARG 208.A O no hydrogen 3.228 N/A TRP 213.A N ALA 209.A O no hydrogen 2.995 N/A SER 214.A N LEU 210.A O no hydrogen 2.957 N/A VAL 215.A N LYS 211.A O no hydrogen 3.120 N/A ALA 216.A N ALA 212.A O no hydrogen 3.273 N/A ARG 217.A N TRP 213.A O no hydrogen 2.786 N/A ARG 217.A NH2 ALA 290.A O no hydrogen 3.476 N/A LEU 218.A N SER 214.A O no hydrogen 2.702 N/A SER 219.A N VAL 215.A O no hydrogen 2.789 N/A SER 219.A OG VAL 215.A O no hydrogen 2.783 N/A GLN 220.A N ALA 216.A O no hydrogen 3.282 N/A GLN 220.A NE2 HIS 337.A O no hydrogen 3.492 N/A GLN 220.A NE2 TYR 340.A O no hydrogen 2.780 N/A LYS 221.A N ARG 217.A O no hydrogen 3.265 N/A LYS 221.A NZ VAL 292.A O no hydrogen 2.788 N/A PHE 222.A N LEU 218.A O no hydrogen 2.819 N/A ALA 225.A N PHE 222.A O no hydrogen 2.783 N/A PHE 227.A N GLU 226.A OE2 no hydrogen 3.278 N/A VAL 230.A N GLU 226.A O no hydrogen 3.096 N/A THR 231.A N PHE 227.A O no hydrogen 2.771 N/A THR 231.A OG1 PHE 227.A O no hydrogen 2.269 N/A LYS 232.A N VAL 228.A O no hydrogen 2.998 N/A LYS 232.A NZ ASP 236.A OD2 no hydrogen 2.665 N/A LEU 233.A N GLU 229.A O no hydrogen 2.991 N/A VAL 234.A N VAL 230.A O no hydrogen 2.868 N/A THR 235.A N THR 231.A O no hydrogen 3.035 N/A THR 235.A OG1 THR 231.A O no hydrogen 2.936 N/A ASP 236.A N LYS 232.A O no hydrogen 3.137 N/A LEU 237.A N LEU 233.A O no hydrogen 2.811 N/A THR 238.A N VAL 234.A O no hydrogen 2.713 N/A THR 238.A OG1 VAL 234.A O no hydrogen 3.164 N/A LYS 239.A N THR 235.A O no hydrogen 3.214 N/A LYS 239.A NZ GLU 243.A OE2 no hydrogen 2.759 N/A VAL 240.A N ASP 236.A O no hydrogen 3.258 N/A HIS 241.A N LEU 237.A O no hydrogen 3.208 N/A LYS 242.A N THR 238.A O no hydrogen 2.776 N/A GLU 243.A N LYS 239.A O no hydrogen 3.010 N/A CYS 244.A N VAL 240.A O no hydrogen 2.887 N/A CYS 245.A N HIS 241.A O no hydrogen 2.720 N/A CYS 245.A SG HIS 241.A O no hydrogen 3.637 N/A HIS 246.A N GLU 243.A O no hydrogen 3.127 N/A HIS 246.A ND1 ASP 248.A OD2 no hydrogen 2.915 N/A GLY 247.A N CYS 244.A O no hydrogen 3.085 N/A ASP 248.A N GLU 243.A O no hydrogen 3.095 N/A GLU 251.A N GLU 251.A OE1 no hydrogen 2.595 N/A CYS 252.A N ASP 248.A O no hydrogen 3.056 N/A CYS 252.A SG VAL 240.A O no hydrogen 3.170 N/A ALA 253.A N LEU 249.A O no hydrogen 3.123 N/A ASP 254.A N LEU 250.A O no hydrogen 3.341 N/A ASP 255.A N GLU 251.A O no hydrogen 3.072 N/A ARG 256.A N CYS 252.A O no hydrogen 2.880 N/A ARG 256.A NH1 GLU 152.A OE2 no hydrogen 3.552 N/A ARG 256.A NH2 GLU 152.A OE2 no hydrogen 3.164 N/A ALA 257.A N ALA 253.A O no hydrogen 3.024 N/A ASP 258.A N ASP 254.A O no hydrogen 3.205 N/A LEU 259.A N ASP 255.A O no hydrogen 3.071 N/A ALA 260.A N ARG 256.A O no hydrogen 2.773 N/A LYS 261.A N ALA 257.A O no hydrogen 2.696 N/A TYR 262.A N ASP 258.A O no hydrogen 2.879 N/A TYR 262.A OH GLU 229.A OE2 no hydrogen 3.410 N/A ILE 263.A N LEU 259.A O no hydrogen 2.805 N/A CYS 264.A N ALA 260.A O no hydrogen 3.237 N/A CYS 264.A SG ALA 260.A O no hydrogen 3.408 N/A ASP 265.A N LYS 261.A O no hydrogen 3.271 N/A ASN 266.A N ILE 263.A O no hydrogen 2.802 N/A ASN 266.A ND2 TYR 262.A O no hydrogen 2.840 N/A GLN 267.A NE2 CYS 264.A O no hydrogen 2.856 N/A THR 269.A N ASN 266.A O no hydrogen 3.100 N/A THR 269.A OG1 ASN 266.A O no hydrogen 2.927 N/A ILE 270.A N GLN 267.A O no hydrogen 2.840 N/A SER 271.A N GLN 267.A O no hydrogen 2.800 N/A SER 272.A OG ASP 295.A OD1 no hydrogen 3.043 N/A LYS 273.A N SER 271.A OG no hydrogen 3.320 N/A CYS 278.A SG LEU 274.A O no hydrogen 3.461 N/A GLU 284.A N PRO 281.A O no hydrogen 3.079 N/A LYS 285.A N PRO 281.A O no hydrogen 3.190 N/A SER 286.A N LEU 282.A O no hydrogen 3.425 N/A SER 286.A OG LEU 282.A O no hydrogen 3.380 N/A HIS 287.A N LEU 283.A O no hydrogen 3.193 N/A HIS 287.A ND1 GLU 152.A OE1 no hydrogen 2.934 N/A HIS 287.A ND1 GLU 152.A OE2 no hydrogen 3.089 N/A HIS 287.A NE2 GLU 291.A OE1 no hydrogen 2.880 N/A CYS 288.A N GLU 284.A O no hydrogen 2.781 N/A ILE 289.A N LYS 285.A O no hydrogen 2.648 N/A ALA 290.A N SER 286.A O no hydrogen 3.020 N/A GLU 291.A N HIS 287.A O no hydrogen 2.966 N/A ASP 295.A N LYS 221.A O no hydrogen 3.078 N/A GLU 299.A N GLU 299.A OE1 no hydrogen 2.533 N/A ALA 306.A N PRO 303.A O no hydrogen 2.872 N/A ALA 309.A N THR 305.A O no hydrogen 3.129 N/A GLU 310.A N THR 305.A O no hydrogen 3.246 N/A VAL 314.A N ASP 311.A O no hydrogen 2.924 N/A ASN 317.A N ASP 313.A O no hydrogen 2.813 N/A TYR 318.A N VAL 314.A O no hydrogen 2.873 N/A TYR 318.A OH GLU 357.A OE2 no hydrogen 2.334 N/A GLN 319.A N CYS 315.A O no hydrogen 2.869 N/A GLU 320.A N LYS 316.A O no hydrogen 3.286 N/A LYS 322.A NZ GLU 357.A OE2 no hydrogen 2.861 N/A ALA 324.A N ALA 321.A O no hydrogen 3.221 N/A PHE 325.A N ALA 321.A O no hydrogen 2.941 N/A LEU 326.A N LYS 322.A O no hydrogen 3.008 N/A GLY 327.A N ASP 323.A O no hydrogen 2.902 N/A SER 328.A N ALA 324.A O no hydrogen 2.675 N/A PHE 329.A N PHE 325.A O no hydrogen 3.055 N/A LEU 330.A N LEU 326.A O no hydrogen 2.797 N/A TYR 331.A N GLY 327.A O no hydrogen 2.685 N/A TYR 331.A OH ALA 225.A O no hydrogen 2.982 N/A TYR 331.A OH GLU 226.A OE2 no hydrogen 2.938 N/A GLU 332.A N SER 328.A O no hydrogen 2.943 N/A TYR 333.A N PHE 329.A O no hydrogen 2.972 N/A SER 334.A N LEU 330.A O no hydrogen 2.729 N/A SER 334.A OG LEU 330.A O no hydrogen 2.660 N/A ARG 335.A N TYR 331.A O no hydrogen 3.066 N/A ARG 335.A NE PRO 223.A O no hydrogen 2.710 N/A ARG 335.A NH2 PRO 223.A O no hydrogen 2.586 N/A ARG 336.A N TYR 333.A O no hydrogen 3.306 N/A ARG 336.A NE GLU 332.A O no hydrogen 3.182 N/A ARG 336.A NH2 GLU 332.A OE1 no hydrogen 3.412 N/A GLU 339.A N GLU 339.A OE1 no hydrogen 2.886 N/A TYR 340.A N HIS 337.A O no hydrogen 3.172 N/A LEU 345.A N ALA 341.A O no hydrogen 3.090 N/A LEU 346.A N VAL 342.A O no hydrogen 2.782 N/A ARG 347.A N SER 343.A O no hydrogen 3.100 N/A ARG 347.A NE VAL 481.A O no hydrogen 2.925 N/A ARG 347.A NH1 GLU 449.A OE1 no hydrogen 3.384 N/A ARG 347.A NH2 GLU 449.A OE1 no hydrogen 2.835 N/A ARG 347.A NH2 VAL 481.A O no hydrogen 3.451 N/A LEU 348.A N VAL 344.A O no hydrogen 2.810 N/A ALA 349.A N LEU 345.A O no hydrogen 2.976 N/A LYS 350.A N LEU 346.A O no hydrogen 3.270 N/A TYR 352.A N LEU 348.A O no hydrogen 3.112 N/A TYR 352.A OH PHE 308.A O no hydrogen 3.093 N/A GLU 353.A N ALA 349.A O no hydrogen 2.705 N/A ALA 354.A N LYS 350.A O no hydrogen 3.010 N/A THR 355.A N GLU 351.A O no hydrogen 3.144 N/A THR 355.A N TYR 352.A O no hydrogen 3.075 N/A THR 355.A OG1 GLU 351.A O no hydrogen 2.889 N/A LEU 356.A N TYR 352.A O no hydrogen 3.293 N/A GLU 357.A N GLU 353.A O no hydrogen 3.097 N/A GLU 358.A N ALA 354.A O no hydrogen 3.378 N/A CYS 359.A N THR 355.A O no hydrogen 2.800 N/A CYS 360.A N LEU 356.A O no hydrogen 2.721 N/A HIS 366.A NE2 GLU 310.A O no hydrogen 3.030 N/A ALA 367.A N ASP 364.A O no hydrogen 3.085 N/A ALA 367.A N ASP 364.A OD1 no hydrogen 3.306 N/A CYS 368.A N ASP 364.A O no hydrogen 3.414 N/A CYS 368.A SG GLU 358.A OE2 no hydrogen 3.679 N/A TYR 369.A N PRO 365.A O no hydrogen 2.755 N/A TYR 369.A OH ASP 311.A O no hydrogen 2.741 N/A SER 370.A N HIS 366.A O no hydrogen 3.112 N/A SER 370.A OG HIS 366.A O no hydrogen 2.956 N/A SER 370.A OG ALA 367.A O no hydrogen 3.409 N/A THR 371.A OG1 CYS 368.A O no hydrogen 3.328 N/A VAL 372.A N TYR 369.A O no hydrogen 3.115 N/A ASP 374.A N THR 371.A O no hydrogen 3.255 N/A LYS 375.A NZ GLU 351.A OE2 no hydrogen 2.392 N/A LEU 376.A N VAL 372.A O no hydrogen 2.863 N/A LYS 377.A N PHE 373.A O no hydrogen 2.589 N/A HIS 378.A N ASP 374.A O no hydrogen 2.841 N/A LEU 379.A N LEU 376.A O no hydrogen 2.521 N/A ASP 381.A N HIS 378.A O no hydrogen 3.428 N/A GLU 382.A N LEU 379.A O no hydrogen 3.453 N/A LEU 386.A N PRO 383.A O no hydrogen 2.812 N/A ASN 390.A N LEU 386.A O no hydrogen 3.364 N/A ASN 390.A ND2 LEU 386.A O no hydrogen 3.308 N/A CYS 391.A N ILE 387.A O no hydrogen 3.020 N/A CYS 391.A SG ILE 387.A O no hydrogen 3.690 N/A ASP 392.A N LYS 388.A O no hydrogen 2.982 N/A GLN 393.A N GLN 389.A O no hydrogen 3.041 N/A PHE 394.A N ASN 390.A O no hydrogen 2.768 N/A GLU 395.A N CYS 391.A O no hydrogen 2.773 N/A LYS 396.A N ASP 392.A O no hydrogen 2.685 N/A LEU 397.A N GLN 393.A O no hydrogen 2.826 N/A GLY 398.A N PHE 394.A O no hydrogen 2.795 N/A PHE 402.A N GLY 398.A O no hydrogen 2.875 N/A PHE 402.A N GLU 399.A O no hydrogen 3.208 N/A GLN 403.A N GLU 399.A O no hydrogen 2.937 N/A GLN 403.A NE2 ARG 427.A O no hydrogen 3.024 N/A ASN 404.A N TYR 400.A O no hydrogen 3.140 N/A ALA 405.A N GLY 401.A O no hydrogen 3.158 N/A LEU 406.A N PHE 402.A O no hydrogen 2.891 N/A LEU 406.A N GLN 403.A O no hydrogen 3.014 N/A ILE 407.A N GLN 403.A O no hydrogen 2.818 N/A VAL 408.A N ASN 404.A O no hydrogen 3.310 N/A ARG 409.A N ALA 405.A O no hydrogen 3.079 N/A ARG 409.A NH1 GLN 393.A OE1 no hydrogen 3.310 N/A TYR 410.A N LEU 406.A O no hydrogen 2.615 N/A THR 411.A N ILE 407.A O no hydrogen 3.116 N/A THR 411.A OG1 ILE 407.A O no hydrogen 2.672 N/A ARG 412.A N VAL 408.A O no hydrogen 3.249 N/A ARG 412.A NH2 ALA 538.A O no hydrogen 2.587 N/A LYS 413.A NZ PHE 487.A O no hydrogen 2.643 N/A LYS 413.A NZ SER 488.A O no hydrogen 3.121 N/A LYS 413.A NZ LEU 490.A O no hydrogen 2.830 N/A VAL 414.A N TYR 410.A O no hydrogen 3.207 N/A VAL 417.A N VAL 414.A O no hydrogen 3.218 N/A THR 419.A OG1 GLU 530.A OE2 no hydrogen 2.593 N/A LEU 422.A N SER 418.A O no hydrogen 3.133 N/A VAL 423.A N THR 419.A O no hydrogen 3.009 N/A GLU 424.A N PRO 420.A O no hydrogen 3.064 N/A VAL 425.A N THR 421.A O no hydrogen 2.967 N/A SER 426.A N LEU 422.A O no hydrogen 3.250 N/A SER 426.A OG LEU 422.A O no hydrogen 2.949 N/A ARG 427.A N VAL 423.A O no hydrogen 3.032 N/A ARG 427.A NH1 GLN 521.A OE1 no hydrogen 2.974 N/A ARG 427.A NH1 GLN 525.A OE1 no hydrogen 3.083 N/A SER 428.A N GLU 424.A O no hydrogen 3.250 N/A SER 428.A OG GLU 424.A O no hydrogen 3.028 N/A LEU 429.A N VAL 425.A O no hydrogen 2.651 N/A GLY 430.A N SER 426.A O no hydrogen 2.881 N/A LYS 431.A N ARG 427.A O no hydrogen 2.973 N/A VAL 432.A N LEU 429.A O no hydrogen 3.052 N/A GLY 433.A N GLY 430.A O no hydrogen 3.029 N/A THR 434.A OG1 GLU 399.A OE1 no hydrogen 2.217 N/A ARG 435.A N LYS 431.A O no hydrogen 2.884 N/A CYS 436.A N VAL 432.A O no hydrogen 2.895 N/A CYS 437.A N GLY 433.A O no hydrogen 2.791 N/A LYS 439.A NZ ARG 435.A O no hydrogen 2.851 N/A GLU 443.A N PRO 440.A O no hydrogen 3.120 N/A ARG 444.A N GLU 441.A O no hydrogen 3.151 N/A ARG 444.A NE LYS 439.A O no hydrogen 2.762 N/A ARG 444.A NH2 LYS 439.A O no hydrogen 3.394 N/A CYS 447.A N GLU 443.A O no hydrogen 3.111 N/A THR 448.A N ARG 444.A O no hydrogen 2.900 N/A GLU 449.A N MET 445.A O no hydrogen 2.852 N/A ASP 450.A N PRO 446.A O no hydrogen 3.084 N/A TYR 451.A N CYS 447.A O no hydrogen 3.418 N/A LEU 452.A N THR 448.A O no hydrogen 3.213 N/A SER 453.A N GLU 449.A O no hydrogen 3.385 N/A SER 453.A OG ASP 450.A O no hydrogen 3.090 N/A ILE 455.A N LEU 452.A O no hydrogen 2.977 N/A LEU 456.A N LEU 452.A O no hydrogen 2.579 N/A ASN 457.A N SER 453.A O no hydrogen 3.210 N/A ARG 458.A N LEU 454.A O no hydrogen 3.253 N/A ARG 458.A N ILE 455.A O no hydrogen 2.920 N/A ARG 458.A NH1 GLU 424.A OE2 no hydrogen 2.798 N/A ARG 458.A NH2 ASP 108.A O no hydrogen 2.732 N/A LEU 459.A N ILE 455.A O no hydrogen 3.064 N/A CYS 460.A N LEU 456.A O no hydrogen 3.106 N/A CYS 460.A SG LEU 456.A O no hydrogen 3.258 N/A VAL 461.A N ASN 457.A O no hydrogen 3.050 N/A LEU 462.A N ARG 458.A O no hydrogen 2.929 N/A HIS 463.A N LEU 459.A O no hydrogen 2.816 N/A GLU 464.A N CYS 460.A O no hydrogen 2.425 N/A VAL 468.A N HIS 463.A NE2 no hydrogen 2.864 N/A SER 469.A N HIS 463.A NE2 no hydrogen 2.989 N/A LYS 471.A NZ LYS 413.A O no hydrogen 2.608 N/A LYS 471.A NZ THR 491.A O no hydrogen 2.291 N/A LYS 471.A NZ ASP 493.A OD1 no hydrogen 3.559 N/A VAL 472.A N SER 469.A O no hydrogen 3.253 N/A VAL 472.A N SER 469.A OG no hydrogen 3.051 N/A THR 473.A N SER 469.A O no hydrogen 3.123 N/A THR 473.A OG1 SER 469.A O no hydrogen 3.122 N/A LYS 474.A N GLU 470.A O no hydrogen 3.029 N/A LYS 474.A NZ LYS 471.A O no hydrogen 3.008 N/A CYS 475.A N LYS 471.A O no hydrogen 3.249 N/A CYS 475.A SG LYS 471.A O no hydrogen 3.800 N/A CYS 475.A SG CYS 486.A O no hydrogen 3.133 N/A CYS 476.A N VAL 472.A O no hydrogen 2.890 N/A CYS 476.A SG VAL 472.A O no hydrogen 3.104 N/A THR 477.A N THR 473.A O no hydrogen 2.997 N/A THR 477.A OG1 THR 473.A O no hydrogen 2.667 N/A GLU 478.A N LYS 474.A O no hydrogen 3.044 N/A ASN 482.A N SER 479.A OG no hydrogen 2.550 N/A ARG 483.A NE SER 479.A O no hydrogen 3.263 N/A ARG 483.A NH1 ASN 457.A OD1 no hydrogen 3.255 N/A ARG 483.A NH2 CYS 476.A O no hydrogen 2.783 N/A ARG 484.A NE GLU 449.A OE1 no hydrogen 2.507 N/A ARG 484.A NH2 GLU 449.A OE1 no hydrogen 2.960 N/A CYS 486.A N ASN 482.A O no hydrogen 3.117 N/A PHE 487.A N ARG 483.A O no hydrogen 2.684 N/A SER 488.A N ARG 484.A O no hydrogen 2.876 N/A SER 488.A OG ARG 484.A O no hydrogen 3.324 N/A ALA 489.A N PRO 485.A O no hydrogen 2.830 N/A THR 491.A OG1 ASP 493.A OD1 no hydrogen 3.174 N/A TYR 496.A OH LYS 533.A O no hydrogen 2.867 N/A LYS 499.A N LYS 533.A O no hydrogen 2.920 N/A LYS 499.A NZ GLU 530.A OE1 no hydrogen 2.710 N/A LEU 505.A N ASP 502.A O no hydrogen 3.012 N/A PHE 506.A N GLU 503.A O no hydrogen 3.005 N/A THR 507.A OG1 GLU 503.A O no hydrogen 2.834 N/A ILE 512.A N HIS 509.A O no hydrogen 3.169 N/A CYS 513.A N ALA 510.A O no hydrogen 3.172 N/A THR 514.A N ASP 511.A O no hydrogen 2.423 N/A LEU 515.A N ASP 511.A O no hydrogen 3.352 N/A LYS 520.A N PRO 516.A O no hydrogen 3.030 N/A LYS 520.A NZ LEU 515.A O no hydrogen 2.979 N/A GLN 521.A N ASP 517.A O no hydrogen 3.187 N/A GLN 521.A NE2 ASP 517.A OD1 no hydrogen 3.188 N/A ILE 522.A N THR 518.A O no hydrogen 3.044 N/A LYS 523.A N GLU 519.A O no hydrogen 2.754 N/A LYS 524.A N LYS 520.A O no hydrogen 3.121 N/A GLN 525.A N GLN 521.A O no hydrogen 2.676 N/A GLN 525.A NE2 GLN 403.A OE1 no hydrogen 3.207 N/A GLN 525.A NE2 ASN 404.A OD1 no hydrogen 3.246 N/A THR 526.A N ILE 522.A O no hydrogen 3.040 N/A THR 526.A OG1 ILE 522.A O no hydrogen 2.678 N/A ALA 527.A N LYS 523.A O no hydrogen 3.372 N/A LEU 528.A N LYS 524.A O no hydrogen 3.010 N/A VAL 529.A N GLN 525.A O no hydrogen 3.065 N/A GLU 530.A N THR 526.A O no hydrogen 2.841 N/A LEU 531.A N ALA 527.A O no hydrogen 2.829 N/A LEU 532.A N LEU 528.A O no hydrogen 3.196 N/A LYS 533.A N VAL 529.A O no hydrogen 2.888 N/A LYS 533.A NZ PRO 415.A O no hydrogen 3.508 N/A LYS 533.A NZ VAL 417.A O no hydrogen 2.473 N/A HIS 534.A N GLU 530.A O no hydrogen 3.146 N/A HIS 534.A N LEU 531.A O no hydrogen 3.272 N/A HIS 534.A ND1 LYS 499.A O no hydrogen 2.565 N/A LYS 535.A N LEU 531.A O no hydrogen 2.832 N/A ALA 538.A N LYS 535.A O no hydrogen 3.177 N/A THR 539.A N GLN 542.A OE1 no hydrogen 3.025 N/A GLN 542.A N THR 539.A OG1 no hydrogen 2.829 N/A LEU 543.A N THR 539.A O no hydrogen 2.938 N/A LYS 544.A N GLU 540.A O no hydrogen 2.925 N/A THR 545.A N GLU 541.A O no hydrogen 3.089 N/A THR 545.A OG1 GLU 541.A O no hydrogen 3.046 N/A VAL 546.A N GLN 542.A O no hydrogen 2.895 N/A MET 547.A N LEU 543.A O no hydrogen 2.839 N/A GLU 548.A N LYS 544.A O no hydrogen 3.186 N/A ASN 549.A N THR 545.A O no hydrogen 2.958 N/A PHE 550.A N VAL 546.A O no hydrogen 2.735 N/A VAL 551.A N MET 547.A O no hydrogen 2.821 N/A ALA 552.A N GLU 548.A O no hydrogen 3.080 N/A PHE 553.A N ASN 549.A O no hydrogen 3.345 N/A VAL 554.A N PHE 550.A O no hydrogen 3.095 N/A ASP 555.A N VAL 551.A O no hydrogen 2.824 N/A LYS 556.A N ALA 552.A O no hydrogen 2.609 N/A CYS 557.A N PHE 553.A O no hydrogen 2.977 N/A CYS 558.A N VAL 554.A O no hydrogen 2.772 N/A CYS 558.A SG VAL 554.A O no hydrogen 3.105 N/A ALA 559.A N LYS 556.A O no hydrogen 3.199 N/A GLU 564.A N GLU 564.A OE1 no hydrogen 2.513 N/A ALA 565.A N ASP 562.A OD1 no hydrogen 3.002 N/A CYS 566.A N ASP 562.A O no hydrogen 3.027 N/A PHE 567.A N LYS 563.A O no hydrogen 2.812 N/A ALA 568.A N GLU 564.A O no hydrogen 2.977 N/A VAL 569.A N ALA 565.A O no hydrogen 3.327 N/A GLU 570.A N CYS 566.A O no hydrogen 3.046 N/A GLY 571.A N PHE 567.A O no hydrogen 2.758 N/A LEU 574.A N GLU 570.A O no hydrogen 3.034 N/A VAL 575.A N GLY 571.A O no hydrogen 3.175 N/A VAL 576.A N PRO 572.A O no hydrogen 3.003 N/A SER 577.A N LYS 573.A O no hydrogen 3.208 N/A SER 577.A OG LEU 574.A O no hydrogen 3.403 N/A THR 578.A N LEU 574.A O no hydrogen 3.053 N/A THR 578.A OG1 LEU 574.A O no hydrogen 2.447 N/A GLN 579.A N VAL 575.A O no hydrogen 2.830 N/A THR 580.A N VAL 576.A O no hydrogen 2.947 N/A THR 580.A OG1 VAL 576.A O no hydrogen 2.979 N/A ALA 581.A N SER 577.A O no hydrogen 2.869 N/A LEU 582.A N THR 578.A O no hydrogen 2.788 N/A ALA 583.A N THR 580.A O no hydrogen 3.317 N/A