Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6zja_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A NH1 ASP 19.A OD2 no hydrogen 3.336 N/A TYR 9.A N SER 5.A O no hydrogen 3.154 N/A TYR 9.A OH GLU 42.A OE2 no hydrogen 2.937 N/A VAL 10.A N ARG 6.A O no hydrogen 2.955 N/A SER 11.A N LYS 7.A O no hydrogen 2.953 N/A SER 11.A OG GLU 8.A O no hydrogen 2.783 N/A MET 12.A N GLU 8.A O no hydrogen 3.003 N/A MET 12.A N TYR 9.A O no hydrogen 3.186 N/A TYR 13.A N TYR 9.A O no hydrogen 2.868 N/A GLY 14.A N VAL 10.A O no hydrogen 2.822 N/A THR 16.A N ASP 19.A OD2 no hydrogen 2.919 N/A THR 16.A OG1 ASP 35.A OD2 no hydrogen 2.977 N/A THR 16.A OG1 TYR 39.A OH no hydrogen 2.939 N/A THR 17.A N THR 16.A OG1 no hydrogen 2.663 N/A GLY 18.A N VAL 32.A O no hydrogen 3.264 N/A ASP 19.A N THR 16.A O no hydrogen 3.030 N/A LYS 20.A NZ ASP 395.A O no hydrogen 3.036 N/A VAL 21.A N ALA 30.A O no hydrogen 2.937 N/A ARG 22.A NH1 THR 26.A O no hydrogen 3.115 N/A LEU 23.A N LEU 28.A O no hydrogen 3.087 N/A GLY 24.A N PRO 438.A O no hydrogen 2.917 N/A THR 26.A N LEU 23.A O no hydrogen 3.247 N/A THR 26.A OG1 LEU 23.A O no hydrogen 2.667 N/A ASP 27.A N ASP 380.A OD1 no hydrogen 2.974 N/A LEU 28.A N THR 26.A OG1 no hydrogen 3.120 N/A ILE 29.A N ASP 397.A OD2 no hydrogen 2.934 N/A ALA 30.A N VAL 21.A O no hydrogen 2.937 N/A GLU 31.A N ASN 398.A OD1 no hydrogen 3.044 N/A VAL 32.A N ASP 19.A O no hydrogen 3.134 N/A GLU 33.A N ILE 81.A O no hydrogen 2.932 N/A TYR 36.A N LYS 83.A O no hydrogen 3.194 N/A THR 37.A N ASP 35.A OD1 no hydrogen 2.980 N/A TYR 39.A OH THR 16.A OG1 no hydrogen 2.939 N/A GLY 40.A N GLU 42.A OE1 no hydrogen 3.115 N/A GLY 40.A N GLU 42.A OE2 no hydrogen 3.219 N/A GLU 41.A N ILE 38.A O no hydrogen 3.016 N/A GLU 42.A N GLU 42.A OE1 no hydrogen 2.859 N/A LYS 44.A N THR 50.A OG1 no hydrogen 3.036 N/A LYS 44.A NZ MET 12.A O no hydrogen 3.258 N/A LYS 44.A NZ GLU 124.A OE2 no hydrogen 2.993 N/A LYS 49.A N GLY 46.A O no hydrogen 3.296 N/A THR 50.A N LYS 44.A O no hydrogen 3.196 N/A THR 50.A OG1 GLU 42.A O no hydrogen 3.390 N/A THR 50.A OG1 LYS 44.A O no hydrogen 3.348 N/A LEU 51.A N LYS 44.A O no hydrogen 3.105 N/A ARG 52.A N THR 50.A O no hydrogen 2.862 N/A ARG 52.A NE LYS 49.A O no hydrogen 2.750 N/A ARG 52.A NH2 LYS 49.A O no hydrogen 3.561 N/A GLY 54.A N GLN 57.A O no hydrogen 3.005 N/A MET 55.A N ARG 52.A O no hydrogen 3.124 N/A SER 56.A OG GLN 105.A OE1 no hydrogen 3.235 N/A GLN 57.A N ARG 52.A O no hydrogen 3.245 N/A SER 58.A N VAL 114.A O no hydrogen 2.911 N/A SER 58.A OG ASN 101.A OD1 no hydrogen 2.990 N/A ASN 59.A ND2 GLU 53.A OE2 no hydrogen 2.917 N/A ASN 60.A N SER 58.A OG no hydrogen 3.023 N/A ASN 60.A ND2 ASP 103.A OD2 no hydrogen 3.376 N/A SER 62.A N SER 113.A OG no hydrogen 3.413 N/A SER 62.A OG ASN 110.A O no hydrogen 3.003 N/A GLU 64.A N SER 62.A OG no hydrogen 3.249 N/A LEU 66.A N SER 113.A O no hydrogen 3.302 N/A ASP 67.A N ILE 88.A O no hydrogen 3.014 N/A LEU 68.A N ILE 88.A O no hydrogen 3.256 N/A ILE 69.A N GLU 119.A O no hydrogen 3.025 N/A ILE 70.A N ILE 86.A O no hydrogen 2.842 N/A THR 71.A N LEU 121.A O no hydrogen 3.106 N/A THR 71.A OG1 GLU 124.A OE1 no hydrogen 3.229 N/A ASN 72.A N ASP 85.A OD1 no hydrogen 2.663 N/A ASN 72.A ND2 LEU 43.A O no hydrogen 2.995 N/A ASN 72.A ND2 GLU 124.A OE1 no hydrogen 3.223 N/A ALA 73.A N ALA 84.A O no hydrogen 2.937 N/A LEU 74.A N LEU 126.A O no hydrogen 3.261 N/A ILE 75.A N TYR 82.A O no hydrogen 2.802 N/A VAL 76.A N VAL 128.A O no hydrogen 3.097 N/A ASP 77.A N GLY 80.A O no hydrogen 3.130 N/A TYR 78.A OH GLU 426.A OE2 no hydrogen 3.179 N/A THR 79.A N ASP 77.A OD2 no hydrogen 3.263 N/A THR 79.A OG1 ASP 77.A OD2 no hydrogen 2.876 N/A GLY 80.A N ASP 77.A O no hydrogen 3.177 N/A ILE 81.A N GLU 33.A OE1 no hydrogen 2.980 N/A TYR 82.A N ILE 75.A O no hydrogen 3.137 N/A LYS 83.A N HIS 34.A O no hydrogen 3.029 N/A LYS 83.A NZ TYR 13.A O no hydrogen 3.205 N/A LYS 83.A NZ PRO 15.A O no hydrogen 2.708 N/A ALA 84.A N ALA 73.A O no hydrogen 3.058 N/A ASP 85.A N GLY 97.A O no hydrogen 2.954 N/A ILE 86.A N ILE 70.A O no hydrogen 2.980 N/A GLY 87.A N GLY 95.A O no hydrogen 2.879 N/A ILE 88.A N LEU 68.A O no hydrogen 2.937 N/A LYS 89.A N LYS 92.A O no hydrogen 2.997 N/A LYS 89.A NZ GLU 65.A O no hydrogen 2.857 N/A ASP 90.A N ASP 67.A OD2 no hydrogen 3.219 N/A LYS 92.A N LYS 89.A O no hydrogen 3.138 N/A ILE 93.A N LYS 429.A O no hydrogen 3.021 N/A ALA 94.A N GLY 87.A O no hydrogen 2.791 N/A GLY 95.A N GLY 87.A O no hydrogen 3.381 N/A GLY 97.A N ASP 85.A O no hydrogen 3.050 N/A LYS 98.A NZ GLU 41.A O no hydrogen 2.957 N/A LYS 98.A NZ GLY 99.A O no hydrogen 3.075 N/A GLY 100.A N LEU 112.A O no hydrogen 3.391 N/A ASN 101.A N GLN 105.A OE1 no hydrogen 2.999 N/A ASN 101.A ND2 MET 55.A O no hydrogen 3.469 N/A ASP 103.A N ASN 101.A OD1 no hydrogen 2.999 N/A MET 104.A N ASN 101.A O no hydrogen 3.164 N/A GLN 105.A N ASN 101.A O no hydrogen 2.938 N/A GLN 105.A NE2 GLU 41.A OE1 no hydrogen 3.231 N/A VAL 108.A N ASP 106.A O no hydrogen 3.140 N/A ASN 111.A ND2 ALA 94.A O no hydrogen 3.186 N/A LEU 112.A N LYS 109.A O no hydrogen 3.188 N/A VAL 114.A N GLY 100.A O no hydrogen 3.126 N/A GLY 115.A N THR 118.A OG1 no hydrogen 3.007 N/A ALA 117.A N GLU 65.A OE2 no hydrogen 2.639 N/A THR 118.A N GLY 115.A O no hydrogen 3.144 N/A THR 118.A OG1 LEU 66.A O no hydrogen 2.856 N/A THR 118.A OG1 GLY 115.A O no hydrogen 3.219 N/A GLU 119.A N ASP 67.A O no hydrogen 3.125 N/A LEU 121.A N ILE 69.A O no hydrogen 3.024 N/A GLY 123.A N THR 71.A O no hydrogen 2.893 N/A GLU 124.A N GLU 124.A OE1 no hydrogen 2.995 N/A LEU 126.A N GLY 123.A O no hydrogen 3.089 N/A ILE 127.A N TRP 436.A O no hydrogen 2.877 N/A VAL 128.A N LEU 74.A O no hydrogen 2.993 N/A THR 129.A N VAL 434.A O no hydrogen 3.138 N/A THR 129.A OG1 ALA 130.A O no hydrogen 3.213 N/A GLY 131.A N ASP 432.A O no hydrogen 3.176 N/A GLY 132.A N GLY 152.A O no hydrogen 3.095 N/A ILE 133.A N TYR 408.A O no hydrogen 3.033 N/A ASP 134.A N THR 155.A O no hydrogen 3.056 N/A HIS 136.A N ASP 134.A OD1 no hydrogen 3.419 N/A ILE 137.A N ILE 157.A O no hydrogen 3.254 N/A HIS 138.A N SER 362.A OG no hydrogen 3.084 N/A HIS 138.A ND1 THR 167.A O no hydrogen 3.065 N/A PHE 139.A N GLY 159.A O no hydrogen 3.128 N/A ILE 140.A N HIS 138.A O no hydrogen 2.816 N/A SER 141.A OG GLN 363.A OE1 no hydrogen 2.991 N/A GLN 144.A N SER 141.A O no hydrogen 3.316 N/A GLN 144.A NE2 HIS 138.A O no hydrogen 3.250 N/A GLN 144.A NE2 SER 362.A O no hydrogen 3.665 N/A GLN 144.A NE2 GLN 363.A OE1 no hydrogen 2.620 N/A ILE 145.A N PRO 142.A O no hydrogen 3.183 N/A THR 147.A OG1 GLN 143.A O no hydrogen 3.394 N/A ALA 148.A N GLN 144.A O no hydrogen 2.946 N/A PHE 149.A N ILE 145.A O no hydrogen 2.957 N/A ALA 150.A N PRO 146.A O no hydrogen 3.081 N/A SER 151.A N ALA 148.A O no hydrogen 3.251 N/A SER 151.A OG ALA 148.A O no hydrogen 2.953 N/A GLY 152.A N PHE 149.A O no hydrogen 3.223 N/A VAL 153.A N ALA 148.A O no hydrogen 3.146 N/A THR 154.A N GLY 132.A O no hydrogen 2.975 N/A THR 155.A N GLY 132.A O no hydrogen 3.287 N/A MET 156.A N ASN 192.A O no hydrogen 2.874 N/A ILE 157.A N ASP 134.A O no hydrogen 2.896 N/A GLY 158.A N GLY 194.A O no hydrogen 3.171 N/A GLY 159.A N ILE 137.A O no hydrogen 3.226 N/A GLY 160.A N THR 173.A OG1 no hydrogen 2.789 N/A THR 161.A N THR 167.A OG1 no hydrogen 2.919 N/A THR 161.A OG1 THR 167.A OG1 no hydrogen 3.367 N/A GLY 162.A N PHE 139.A O no hydrogen 3.087 N/A THR 167.A OG1 THR 161.A OG1 no hydrogen 3.367 N/A ASN 168.A N ALA 164.A O no hydrogen 2.975 N/A ASN 168.A ND2 PRO 163.A O no hydrogen 3.310 N/A THR 170.A N GLY 166.A O no hydrogen 2.952 N/A THR 170.A OG1 GLY 166.A O no hydrogen 2.947 N/A THR 173.A N LEU 196.A O no hydrogen 3.000 N/A THR 173.A OG1 GLY 160.A O no hydrogen 3.067 N/A GLY 175.A N GLN 210.A OE1 no hydrogen 3.241 N/A ARG 176.A NE ASP 209.A OD2 no hydrogen 3.451 N/A ARG 176.A NH2 ASP 209.A OD1 no hydrogen 2.784 N/A ARG 177.A NH1 ARG 177.A O no hydrogen 2.965 N/A ASN 178.A ND2 PRO 174.A O no hydrogen 2.810 N/A LEU 179.A N GLY 175.A O no hydrogen 2.986 N/A LYS 180.A N ARG 176.A O no hydrogen 2.933 N/A TRP 181.A N ARG 177.A O no hydrogen 3.015 N/A MET 182.A N ASN 178.A O no hydrogen 3.046 N/A LEU 183.A N LEU 179.A O no hydrogen 2.924 N/A ARG 184.A N LYS 180.A O no hydrogen 2.996 N/A ARG 184.A NH1 LEU 506.A O no hydrogen 2.915 N/A ALA 185.A N TRP 181.A O no hydrogen 2.962 N/A ALA 186.A N MET 182.A O no hydrogen 2.964 N/A GLU 188.A N ALA 185.A O no hydrogen 3.272 N/A TYR 189.A N ALA 186.A O no hydrogen 3.392 N/A ASN 192.A N THR 154.A O no hydrogen 3.198 N/A ASN 192.A ND2 THR 155.A OG1 no hydrogen 3.386 N/A ASN 192.A ND2 ASP 432.A OD2 no hydrogen 3.033 N/A LEU 193.A N ILE 490.A O no hydrogen 3.201 N/A GLY 194.A N MET 156.A O no hydrogen 3.293 N/A LEU 196.A N GLY 158.A O no hydrogen 2.775 N/A ALA 197.A N GLY 217.A O no hydrogen 2.888 N/A LYS 198.A N GLN 210.A OE1 no hydrogen 3.124 N/A ASN 200.A ND2 HIS 220.A O no hydrogen 2.911 N/A ASN 200.A ND2 GLY 224.A O no hydrogen 2.845 N/A THR 201.A N GLY 199.A O no hydrogen 2.983 N/A SER 202.A OG SER 228.A OG no hydrogen 2.861 N/A ASN 203.A N THR 201.A OG1 no hydrogen 2.821 N/A SER 206.A N ASN 203.A OD1 no hydrogen 2.966 N/A SER 206.A OG ASN 203.A OD1 no hydrogen 3.327 N/A LEU 207.A N ASN 203.A O no hydrogen 3.188 N/A ALA 208.A N ASP 204.A O no hydrogen 2.953 N/A ASP 209.A N ALA 205.A O no hydrogen 3.097 N/A GLN 210.A NE2 LYS 198.A O no hydrogen 3.050 N/A GLN 210.A NE2 SER 206.A O no hydrogen 3.385 N/A GLU 212.A N ALA 208.A O no hydrogen 3.180 N/A ALA 213.A N ASP 209.A O no hydrogen 3.020 N/A ALA 213.A N GLN 210.A O no hydrogen 3.246 N/A GLY 214.A N ILE 211.A O no hydrogen 3.182 N/A ALA 215.A N GLN 210.A O no hydrogen 3.433 N/A ILE 216.A N PHE 195.A O no hydrogen 3.003 N/A PHE 218.A N GLN 243.A O no hydrogen 3.133 N/A HIS 220.A N ASN 200.A OD1 no hydrogen 3.066 N/A ASP 222.A N HIS 220.A ND1 no hydrogen 3.069 N/A TRP 223.A N HIS 220.A O no hydrogen 3.110 N/A GLY 224.A N GLU 221.A O no hydrogen 3.034 N/A THR 225.A OG1 HIS 247.A O no hydrogen 3.208 N/A SER 228.A OG SER 202.A OG no hydrogen 2.861 N/A ILE 230.A N THR 226.A O no hydrogen 3.198 N/A ASN 231.A N PRO 227.A O no hydrogen 3.008 N/A HIS 232.A N SER 228.A O no hydrogen 3.024 N/A HIS 232.A ND1 ASP 204.A OD1 no hydrogen 3.200 N/A ALA 233.A N ALA 229.A O no hydrogen 2.978 N/A LEU 234.A N ILE 230.A O no hydrogen 3.032 N/A ASP 235.A N ASN 231.A O no hydrogen 3.030 N/A VAL 236.A N HIS 232.A O no hydrogen 3.077 N/A ALA 237.A N ALA 233.A O no hydrogen 2.966 N/A ASP 238.A N LEU 234.A O no hydrogen 2.979 N/A TYR 240.A N VAL 236.A O no hydrogen 3.069 N/A TYR 240.A OH GLU 212.A OE2 no hydrogen 2.997 N/A GLN 243.A NE2 ALA 415.A O no hydrogen 2.891 N/A GLN 243.A NE2 CYS 518.A O no hydrogen 3.329 N/A VAL 244.A N GLN 243.A OE1 no hydrogen 3.054 N/A ALA 245.A N PHE 218.A O no hydrogen 2.945 N/A ILE 246.A N HIS 270.A O no hydrogen 3.191 N/A HIS 247.A N ILE 219.A O no hydrogen 2.791 N/A HIS 247.A NE2 GLU 221.A OE1 no hydrogen 2.714 N/A THR 250.A N GLU 221.A OE2 no hydrogen 3.055 N/A THR 250.A OG1 GLU 221.A OE1 no hydrogen 2.547 N/A THR 250.A OG1 GLU 221.A OE2 no hydrogen 3.383 N/A THR 250.A OG1 GLY 280.A O no hydrogen 3.421 N/A ASN 252.A ND2 ALA 282.A O no hydrogen 3.085 N/A GLU 253.A N ASP 249.A OD2 no hydrogen 2.787 N/A ALA 254.A N ASP 249.A OD2 no hydrogen 3.399 N/A CYS 256.A N ASP 259.A OD2 no hydrogen 3.059 N/A GLU 258.A N GLU 258.A OE1 no hydrogen 2.831 N/A THR 260.A N CYS 256.A O no hydrogen 3.262 N/A THR 260.A OG1 HIS 281.A NE2 no hydrogen 2.779 N/A MET 261.A N VAL 257.A O no hydrogen 2.968 N/A ALA 262.A N GLU 258.A O no hydrogen 2.888 N/A ALA 263.A N ASP 259.A O no hydrogen 2.970 N/A ILE 264.A N THR 260.A O no hydrogen 2.955 N/A ALA 265.A N MET 261.A O no hydrogen 3.052 N/A ARG 267.A N ILE 264.A O no hydrogen 3.406 N/A ARG 267.A NE ILE 264.A O no hydrogen 2.957 N/A ARG 267.A NH1 ASP 235.A OD1 no hydrogen 2.776 N/A ARG 267.A NH2 ASN 231.A OD1 no hydrogen 3.031 N/A ARG 267.A NH2 ALA 263.A O no hydrogen 3.186 N/A THR 268.A OG1 ARG 519.A O no hydrogen 3.389 N/A THR 268.A OG1 ILE 521.A O no hydrogen 2.828 N/A MET 269.A N ASN 293.A O no hydrogen 3.260 N/A HIS 270.A N VAL 244.A O no hydrogen 3.031 N/A THR 271.A N LEU 295.A O no hydrogen 3.133 N/A THR 271.A OG1 THR 274.A OG1 no hydrogen 3.167 N/A PHE 272.A N ILE 246.A O no hydrogen 3.351 N/A HIS 273.A ND1 HIS 273.A O no hydrogen 2.801 N/A HIS 273.A NE2 HIS 247.A ND1 no hydrogen 3.095 N/A THR 274.A N ALA 297.A O no hydrogen 2.947 N/A THR 274.A OG1 THR 271.A O no hydrogen 3.249 N/A THR 274.A OG1 THR 271.A OG1 no hydrogen 3.167 N/A THR 274.A OG1 ALA 297.A O no hydrogen 2.749 N/A GLY 276.A N HIS 273.A O no hydrogen 3.071 N/A GLY 279.A N GLY 276.A O no hydrogen 3.183 N/A GLY 280.A N THR 250.A OG1 no hydrogen 2.906 N/A HIS 281.A N THR 248.A OG1 no hydrogen 3.354 N/A HIS 281.A ND1 ASN 252.A OD1 no hydrogen 2.941 N/A HIS 281.A NE2 THR 260.A OG1 no hydrogen 2.779 N/A VAL 288.A N ILE 285.A O no hydrogen 3.240 N/A ALA 289.A N ILE 286.A O no hydrogen 3.334 N/A GLU 291.A N VAL 288.A O no hydrogen 3.252 N/A ASN 293.A ND2 ARG 267.A O no hydrogen 2.924 N/A LEU 295.A N MET 269.A O no hydrogen 2.912 N/A ALA 297.A N THR 271.A O no hydrogen 3.136 N/A ALA 297.A N THR 274.A OG1 no hydrogen 3.235 N/A SER 298.A N ILE 357.A O no hydrogen 3.068 N/A SER 298.A OG HIS 350.A NE2 no hydrogen 2.666 N/A ASN 300.A N SER 359.A O no hydrogen 3.000 N/A ASN 300.A ND2 ARG 367.A O no hydrogen 2.757 N/A THR 302.A OG1 THR 299.A O no hydrogen 3.433 N/A THR 302.A OG1 GLU 346.A OE1 no hydrogen 3.330 N/A THR 302.A OG1 GLU 346.A OE2 no hydrogen 2.672 N/A ILE 303.A N ASN 300.A O no hydrogen 3.254 N/A PHE 305.A N ASP 347.A OD2 no hydrogen 3.068 N/A THR 306.A N THR 309.A OG1 no hydrogen 3.070 N/A THR 306.A OG1 THR 309.A OG1 no hydrogen 2.889 N/A VAL 307.A N ALA 556.A O no hydrogen 3.273 N/A ASN 308.A N THR 306.A OG1 no hydrogen 3.362 N/A THR 309.A N THR 306.A O no hydrogen 3.332 N/A THR 309.A OG1 THR 306.A O no hydrogen 3.312 N/A THR 309.A OG1 THR 306.A OG1 no hydrogen 2.889 N/A GLU 312.A N ASN 308.A O no hydrogen 3.316 N/A HIS 313.A N THR 309.A O no hydrogen 2.992 N/A MET 314.A N GLU 310.A O no hydrogen 2.913 N/A ASP 315.A N ALA 311.A O no hydrogen 2.993 N/A MET 316.A N GLU 312.A O no hydrogen 2.942 N/A LEU 317.A N HIS 313.A O no hydrogen 2.938 N/A MET 318.A N MET 314.A O no hydrogen 2.976 N/A VAL 319.A N ASP 315.A O no hydrogen 3.279 N/A CYS 320.A N MET 316.A O no hydrogen 3.242 N/A CYS 320.A SG MET 316.A O no hydrogen 3.236 N/A CYS 320.A SG LEU 317.A O no hydrogen 3.419 N/A HIS 321.A N LEU 317.A O no hydrogen 3.309 N/A HIS 322.A N VAL 319.A O no hydrogen 3.261 N/A LEU 323.A N MET 318.A O no hydrogen 3.144 N/A ASP 324.A N ASP 330.A OD2 no hydrogen 3.238 N/A SER 326.A OG ASP 324.A OD2 no hydrogen 2.652 N/A ILE 327.A N ASP 324.A O no hydrogen 3.472 N/A VAL 331.A N ILE 327.A O no hydrogen 3.294 N/A GLN 332.A N LYS 328.A O no hydrogen 3.217 N/A PHE 333.A N GLU 329.A O no hydrogen 2.944 N/A ALA 334.A N ASP 330.A O no hydrogen 3.022 N/A ASP 335.A N VAL 331.A O no hydrogen 3.037 N/A SER 336.A N PHE 333.A O no hydrogen 3.269 N/A SER 336.A OG GLN 332.A O no hydrogen 3.569 N/A SER 336.A OG PHE 333.A O no hydrogen 2.884 N/A ARG 337.A N ALA 334.A O no hydrogen 3.123 N/A ARG 337.A NH1 GLY 276.A O no hydrogen 3.113 N/A ARG 337.A NH1 ALA 277.A O no hydrogen 3.512 N/A ARG 337.A NH2 ALA 277.A O no hydrogen 3.246 N/A ILE 338.A N ALA 334.A O no hydrogen 3.437 N/A ARG 339.A NH1 SER 336.A O no hydrogen 3.150 N/A ARG 339.A NH2 GLU 275.A O no hydrogen 3.106 N/A GLN 341.A N GLN 341.A OE1 no hydrogen 2.791 N/A THR 342.A OG1 ARG 339.A O no hydrogen 3.132 N/A ILE 343.A N ARG 339.A O no hydrogen 3.429 N/A ALA 344.A N PRO 340.A O no hydrogen 2.927 N/A ALA 345.A N GLN 341.A O no hydrogen 2.993 N/A GLU 346.A N THR 342.A O no hydrogen 3.014 N/A GLU 346.A N ILE 343.A O no hydrogen 3.331 N/A THR 348.A OG1 THR 552.A O no hydrogen 2.909 N/A LEU 349.A N ALA 345.A O no hydrogen 2.999 N/A HIS 350.A N GLU 346.A O no hydrogen 2.949 N/A HIS 350.A NE2 SER 298.A OG no hydrogen 2.666 N/A ASP 351.A N ASP 347.A O no hydrogen 3.019 N/A MET 352.A N THR 348.A O no hydrogen 3.047 N/A GLY 353.A N HIS 350.A O no hydrogen 3.347 N/A ILE 354.A N LEU 349.A O no hydrogen 3.100 N/A PHE 355.A N LEU 349.A O no hydrogen 3.483 N/A SER 356.A N PRO 296.A O no hydrogen 3.317 N/A SER 356.A OG PRO 296.A O no hydrogen 3.346 N/A THR 358.A N LYS 407.A O no hydrogen 3.288 N/A THR 358.A OG1 THR 375.A OG1 no hydrogen 3.273 N/A SER 359.A N SER 298.A O no hydrogen 3.115 N/A SER 359.A OG SER 298.A O no hydrogen 3.292 N/A SER 360.A N ASP 134.A OD1 no hydrogen 3.274 N/A SER 360.A OG ASP 134.A OD1 no hydrogen 3.463 N/A SER 360.A OG ASP 134.A OD2 no hydrogen 3.347 N/A SER 360.A OG HIS 136.A O no hydrogen 3.322 N/A ASP 361.A N HIS 136.A O no hydrogen 3.134 N/A SER 362.A OG HIS 138.A O no hydrogen 3.307 N/A SER 362.A OG GLN 144.A OE1 no hydrogen 2.839 N/A GLN 363.A N GLY 366.A O no hydrogen 3.168 N/A ALA 364.A N ASP 361.A O no hydrogen 3.195 N/A ARG 367.A N ASN 300.A OD1 no hydrogen 3.180 N/A ARG 367.A NH2 GLU 312.A OE1 no hydrogen 2.814 N/A GLU 370.A N ARG 367.A O no hydrogen 3.262 N/A THR 373.A OG1 GLY 442.A O no hydrogen 2.821 N/A ARG 374.A N GLU 370.A O no hydrogen 2.949 N/A ARG 374.A NE GLU 370.A OE1 no hydrogen 2.731 N/A ARG 374.A NH1 ASN 300.A O no hydrogen 3.306 N/A ARG 374.A NH1 ILE 303.A O no hydrogen 2.914 N/A ARG 374.A NH2 GLU 370.A OE1 no hydrogen 3.311 N/A THR 375.A N VAL 371.A O no hydrogen 3.013 N/A THR 375.A OG1 THR 358.A OG1 no hydrogen 3.273 N/A THR 375.A OG1 VAL 371.A O no hydrogen 2.737 N/A TRP 376.A N ILE 372.A O no hydrogen 3.071 N/A TRP 376.A NE1 TYR 408.A OH no hydrogen 3.026 N/A GLN 377.A N THR 373.A O no hydrogen 2.927 N/A GLN 377.A NE2 SER 560.A O no hydrogen 3.055 N/A THR 378.A N ARG 374.A O no hydrogen 2.989 N/A THR 378.A OG1 ARG 374.A O no hydrogen 2.865 N/A ALA 379.A N THR 375.A O no hydrogen 3.052 N/A ASP 380.A N TRP 376.A O no hydrogen 2.968 N/A LYS 381.A N GLN 377.A O no hydrogen 2.970 N/A LYS 381.A NZ ASP 347.A OD2 no hydrogen 3.181 N/A LYS 381.A NZ LYS 554.A O no hydrogen 3.272 N/A ASN 382.A N THR 378.A O no hydrogen 2.966 N/A ASN 382.A ND2 ASP 347.A O no hydrogen 3.096 N/A ASN 382.A ND2 TYR 404.A OH no hydrogen 2.919 N/A LYS 383.A N ALA 379.A O no hydrogen 2.980 N/A LYS 383.A NZ ASP 27.A O no hydrogen 2.635 N/A LYS 383.A NZ ASP 397.A OD2 no hydrogen 2.958 N/A LYS 384.A N ASP 380.A O no hydrogen 2.987 N/A LYS 384.A NZ ASP 380.A OD1 no hydrogen 2.882 N/A LYS 384.A NZ ASP 380.A OD2 no hydrogen 2.932 N/A GLU 385.A N LYS 381.A O no hydrogen 2.963 N/A PHE 386.A N ASN 382.A O no hydrogen 2.898 N/A GLY 387.A N LYS 383.A O no hydrogen 3.022 N/A ARG 388.A NE ASP 397.A OD1 no hydrogen 2.736 N/A ARG 388.A NH1 ASP 395.A OD1 no hydrogen 2.795 N/A ARG 388.A NH2 ASP 397.A OD1 no hydrogen 3.201 N/A ARG 388.A NH2 ASP 397.A OD2 no hydrogen 3.102 N/A GLU 392.A N LEU 389.A O no hydrogen 3.470 N/A ASN 396.A ND2 GLU 31.A OE1 no hydrogen 2.977 N/A ASN 396.A ND2 LYS 393.A O no hydrogen 3.361 N/A ASP 397.A N ILE 29.A O no hydrogen 2.843 N/A ASN 398.A N ASN 396.A OD1 no hydrogen 3.131 N/A ASN 398.A ND2 GLU 31.A O no hydrogen 3.121 N/A ASN 398.A ND2 GLU 33.A OE2 no hydrogen 3.174 N/A PHE 399.A N GLU 392.A OE2 no hydrogen 3.061 N/A ARG 400.A N GLU 392.A OE1 no hydrogen 3.041 N/A ARG 400.A NE ASP 351.A OD1 no hydrogen 3.316 N/A ARG 400.A NH1 GLY 387.A O no hydrogen 3.101 N/A ARG 400.A NH2 ASP 351.A OD1 no hydrogen 3.515 N/A ARG 400.A NH2 ASP 351.A OD2 no hydrogen 3.149 N/A ARG 400.A NH2 GLY 387.A O no hydrogen 3.137 N/A ILE 401.A N ASP 397.A O no hydrogen 3.027 N/A LYS 402.A N ASN 398.A O no hydrogen 2.976 N/A LYS 402.A NZ GLU 33.A OE2 no hydrogen 2.983 N/A ARG 403.A N PHE 399.A O no hydrogen 2.948 N/A ARG 403.A NE PHE 528.A O no hydrogen 2.852 N/A ARG 403.A NH1 ASP 351.A O no hydrogen 3.067 N/A ARG 403.A NH2 PHE 528.A O no hydrogen 3.111 N/A TYR 404.A N ARG 400.A O no hydrogen 2.974 N/A TYR 404.A OH ASP 351.A OD1 no hydrogen 2.793 N/A LEU 405.A N ILE 401.A O no hydrogen 2.907 N/A SER 406.A N LYS 402.A O no hydrogen 3.011 N/A SER 406.A OG LYS 402.A O no hydrogen 2.936 N/A LYS 407.A N TYR 404.A O no hydrogen 3.318 N/A LYS 407.A NZ HIS 350.A ND1 no hydrogen 3.070 N/A LYS 407.A NZ HIS 350.A O no hydrogen 3.169 N/A LYS 407.A NZ ASN 529.A OD1 no hydrogen 2.955 N/A THR 409.A OG1 LEU 405.A O no hydrogen 2.786 N/A ASN 411.A N SER 406.A O no hydrogen 3.183 N/A ASN 411.A ND2 SER 356.A O no hydrogen 3.209 N/A ASN 411.A ND2 GLN 527.A O no hydrogen 3.272 N/A ILE 414.A N ILE 410.A O no hydrogen 2.977 N/A ALA 415.A N ASN 411.A O no hydrogen 2.958 N/A HIS 416.A N PRO 412.A O no hydrogen 3.016 N/A GLY 417.A N ILE 414.A O no hydrogen 3.230 N/A ILE 418.A N ALA 413.A O no hydrogen 2.924 N/A TYR 421.A N ILE 418.A O no hydrogen 3.050 N/A TYR 421.A OH PRO 514.A O no hydrogen 2.974 N/A VAL 422.A N ILE 418.A O no hydrogen 3.206 N/A SER 424.A OG GLU 426.A OE2 no hydrogen 3.200 N/A VAL 425.A N ASP 77.A OD1 no hydrogen 3.105 N/A GLY 428.A N ILE 93.A O no hydrogen 2.918 N/A LYS 429.A N GLU 426.A O no hydrogen 3.354 N/A LYS 429.A NZ SER 419.A O no hydrogen 2.865 N/A LYS 429.A NZ VAL 422.A O no hydrogen 3.195 N/A LYS 429.A NZ SER 424.A OG no hydrogen 2.848 N/A VAL 430.A N TYR 421.A O no hydrogen 2.918 N/A ALA 431.A N GLY 91.A O no hydrogen 3.314 N/A ASP 432.A N VAL 430.A O no hydrogen 2.973 N/A LEU 433.A N ILE 449.A O no hydrogen 2.988 N/A VAL 434.A N THR 129.A O no hydrogen 3.003 N/A LEU 435.A N MET 447.A O no hydrogen 3.120 N/A TRP 436.A N ILE 127.A O no hydrogen 2.818 N/A TRP 436.A NE1 THR 129.A OG1 no hydrogen 3.181 N/A PHE 440.A N SER 437.A O no hydrogen 2.980 N/A PHE 441.A N PRO 438.A O no hydrogen 3.464 N/A VAL 443.A N PHE 440.A O no hydrogen 3.376 N/A LYS 444.A N PHE 440.A O no hydrogen 3.283 N/A LYS 444.A NZ PHE 565.A O no hydrogen 2.994 N/A ASN 446.A N LEU 435.A O no hydrogen 2.799 N/A ILE 448.A N LEU 456.A O no hydrogen 2.899 N/A ILE 449.A N LEU 433.A O no hydrogen 2.869 N/A LYS 450.A N PHE 453.A O no hydrogen 2.823 N/A LYS 450.A NZ ASN 192.A OD1 no hydrogen 3.081 N/A LYS 450.A NZ ASP 432.A OD1 no hydrogen 2.801 N/A LYS 450.A NZ ASP 432.A OD2 no hydrogen 3.322 N/A LYS 450.A NZ ALA 488.A O no hydrogen 2.984 N/A GLY 451.A N ASP 432.A OD1 no hydrogen 3.084 N/A GLY 452.A N ALA 431.A O no hydrogen 3.238 N/A PHE 453.A N LYS 450.A O no hydrogen 3.291 N/A ALA 455.A N ILE 448.A O no hydrogen 3.015 N/A SER 457.A N ARG 475.A O no hydrogen 3.404 N/A SER 457.A OG GLN 458.A O no hydrogen 3.492 N/A GLN 458.A N ASN 446.A O no hydrogen 3.136 N/A MET 459.A N TYR 473.A O no hydrogen 3.121 N/A GLY 460.A N PRO 467.A O no hydrogen 2.869 N/A ALA 464.A N ASP 461.A O no hydrogen 3.264 N/A VAL 472.A N GLN 470.A OE1 no hydrogen 3.280 N/A TYR 473.A N MET 459.A O no hydrogen 3.358 N/A TYR 474.A OH PRO 445.A O no hydrogen 2.734 N/A ARG 475.A N SER 457.A O no hydrogen 3.118 N/A ARG 475.A NE MET 459.A O no hydrogen 2.982 N/A ARG 475.A NH1 MET 459.A O no hydrogen 3.407 N/A ARG 475.A NH1 PRO 471.A O no hydrogen 3.304 N/A MET 477.A N ALA 455.A O no hydrogen 2.948 N/A ALA 479.A N ILE 454.A O no hydrogen 3.324 N/A HIS 480.A N MET 477.A O no hydrogen 3.156 N/A HIS 480.A ND1 HIS 480.A O no hydrogen 2.965 N/A HIS 481.A N PHE 478.A O no hydrogen 3.346 N/A HIS 481.A NE2 GLU 476.A OE1 no hydrogen 3.052 N/A LYS 485.A NZ GLY 482.A O no hydrogen 2.897 N/A TYR 486.A N LYS 483.A O no hydrogen 3.348 N/A ASP 487.A N ALA 484.A O no hydrogen 3.137 N/A ASN 489.A ND2 LYS 485.A O no hydrogen 2.791 N/A ILE 490.A N ASN 192.A OD1 no hydrogen 2.939 N/A THR 491.A N GLN 511.A O no hydrogen 2.804 N/A PHE 492.A N LEU 193.A O no hydrogen 3.018 N/A VAL 493.A N LEU 513.A O no hydrogen 3.063 N/A SER 494.A OG ILE 211.A O no hydrogen 2.854 N/A ALA 497.A N SER 494.A OG no hydrogen 3.285 N/A TYR 498.A N SER 494.A O no hydrogen 3.029 N/A ASP 499.A N GLN 495.A O no hydrogen 2.930 N/A LYS 500.A N ALA 496.A O no hydrogen 3.195 N/A LYS 500.A NZ ALA 496.A O no hydrogen 2.927 N/A GLY 501.A N TYR 498.A O no hydrogen 3.254 N/A ILE 502.A N ALA 497.A O no hydrogen 3.214 N/A LYS 503.A NZ LEU 508.A O no hydrogen 3.156 N/A LYS 503.A NZ ARG 510.A O no hydrogen 2.872 N/A GLU 505.A N GLY 501.A O no hydrogen 3.144 N/A LEU 506.A N ILE 502.A O no hydrogen 3.106 N/A LEU 508.A N LYS 503.A O no hydrogen 3.033 N/A GLU 509.A N GLU 187.A OE2 no hydrogen 2.727 N/A ARG 510.A N GLU 187.A OE1 no hydrogen 3.392 N/A ARG 510.A NE THR 491.A OG1 no hydrogen 2.833 N/A ARG 510.A NH1 MET 191.A O no hydrogen 3.367 N/A ARG 510.A NH2 MET 191.A O no hydrogen 2.848 N/A GLN 511.A N ASN 489.A O no hydrogen 3.287 N/A GLN 511.A NE2 ASN 489.A O no hydrogen 3.698 N/A LEU 513.A N THR 491.A O no hydrogen 3.283 N/A VAL 515.A N VAL 493.A O no hydrogen 3.063 N/A LYS 516.A N GLY 417.A O no hydrogen 3.177 N/A ASN 517.A N ASP 241.A OD2 no hydrogen 3.145 N/A CYS 518.A N ASP 241.A OD1 no hydrogen 2.995 N/A CYS 518.A SG ASP 241.A O no hydrogen 3.900 N/A ARG 519.A NE VAL 242.A O no hydrogen 2.933 N/A ARG 519.A NH1 THR 268.A O no hydrogen 3.288 N/A ARG 519.A NH2 THR 268.A O no hydrogen 3.139 N/A THR 522.A N ASP 525.A OD2 no hydrogen 3.016 N/A LYS 523.A N HIS 292.A O no hydrogen 2.942 N/A LYS 523.A NZ ILE 354.A O no hydrogen 2.858 N/A LYS 523.A NZ THR 531.A O no hydrogen 2.945 N/A LYS 524.A N THR 522.A OG1 no hydrogen 3.338 N/A LYS 524.A NZ ASP 530.A O no hydrogen 3.059 N/A LYS 524.A NZ THR 532.A OG1 no hydrogen 3.124 N/A ASP 525.A N THR 522.A O no hydrogen 3.109 N/A MET 526.A N LYS 523.A O no hydrogen 3.210 N/A GLN 527.A N ASN 411.A OD1 no hydrogen 2.782 N/A GLN 527.A NE2 ASP 525.A O no hydrogen 3.135 N/A ASN 529.A ND2 ARG 403.A O no hydrogen 3.237 N/A ASN 529.A ND2 GLN 527.A O no hydrogen 3.079 N/A THR 531.A N GLY 353.A O no hydrogen 3.354 N/A THR 531.A OG1 MET 352.A O no hydrogen 3.173 N/A THR 531.A OG1 GLY 353.A O no hydrogen 3.491 N/A ALA 533.A N GLY 290.A O no hydrogen 3.412 N/A HIS 534.A N ASP 547.A OD1 no hydrogen 3.060 N/A GLU 536.A N PHE 545.A O no hydrogen 3.012 N/A ASN 538.A N HIS 543.A O no hydrogen 3.007 N/A GLU 540.A N ASN 538.A OD1 no hydrogen 2.863 N/A THR 541.A N ASN 538.A OD1 no hydrogen 2.767 N/A TYR 542.A N ASN 538.A O no hydrogen 3.145 N/A HIS 543.A N THR 541.A OG1 no hydrogen 3.360 N/A PHE 545.A N GLU 536.A O no hydrogen 2.900 N/A VAL 546.A N LYS 549.A O no hydrogen 2.783 N/A ASP 547.A N HIS 534.A O no hydrogen 2.948 N/A LYS 549.A N VAL 546.A O no hydrogen 3.117 N/A VAL 551.A N VAL 544.A O no hydrogen 3.125 N/A THR 552.A OG1 SER 553.A O no hydrogen 3.456 N/A SER 553.A OG ALA 344.A O no hydrogen 2.822 N/A ALA 556.A N PHE 305.A O no hydrogen 3.099 N/A SER 560.A OG ASP 380.A OD2 no hydrogen 2.980 N/A LEU 561.A N ASP 25.A OD1 no hydrogen 3.025 N/A LEU 561.A N ASP 25.A OD2 no hydrogen 3.329 N/A SER 566.A OG PHE 568.A O no hydrogen 2.452 N/A