Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ru3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N ASP 237.A OD2 no hydrogen 2.886 N/A GLN 5.A N ASN 2.A O no hydrogen 3.177 N/A ILE 6.A N PHE 3.A O no hydrogen 3.088 N/A PHE 7.A N ASP 4.A O no hydrogen 2.583 N/A GLU 8.A N GLN 5.A O no hydrogen 2.995 N/A GLU 12.A N GLU 12.A OE1 no hydrogen 2.441 N/A GLY 14.A N GLU 12.A O no hydrogen 2.472 N/A ARG 19.A N ASP 284.A O no hydrogen 3.027 N/A LEU 20.A N ASP 284.A O no hydrogen 3.301 N/A PHE 21.A N PRO 17.A O no hydrogen 3.181 N/A LYS 22.A N ARG 19.A O no hydrogen 2.532 N/A GLU 23.A N ARG 19.A O no hydrogen 3.089 N/A VAL 24.A N LEU 20.A O no hydrogen 3.026 N/A TYR 25.A N PHE 21.A O no hydrogen 3.293 N/A GLU 26.A N LYS 22.A O no hydrogen 3.028 N/A GLY 27.A N GLU 23.A O no hydrogen 2.745 N/A ALA 28.A N VAL 24.A O no hydrogen 2.753 N/A ALA 28.A N TYR 25.A O no hydrogen 3.128 N/A ILE 29.A N TYR 25.A O no hydrogen 2.891 N/A THR 30.A N GLU 26.A O no hydrogen 2.844 N/A THR 30.A OG1 GLU 26.A O no hydrogen 2.890 N/A ALA 31.A N GLY 27.A O no hydrogen 3.069 N/A THR 32.A N ALA 28.A O no hydrogen 3.222 N/A THR 32.A OG1 ALA 28.A O no hydrogen 2.867 N/A SER 33.A N ILE 29.A O no hydrogen 3.153 N/A SER 33.A OG ILE 29.A O no hydrogen 2.578 N/A TYR 34.A N THR 30.A O no hydrogen 2.920 N/A ALA 35.A N ALA 31.A O no hydrogen 2.903 N/A GLU 36.A N THR 32.A O no hydrogen 2.609 N/A ILE 37.A N SER 33.A O no hydrogen 2.886 N/A LEU 38.A N TYR 34.A O no hydrogen 2.670 N/A LEU 39.A N ALA 35.A O no hydrogen 2.799 N/A LEU 39.A N GLU 36.A O no hydrogen 3.200 N/A SER 40.A N GLU 36.A O no hydrogen 2.911 N/A ARG 41.A N ILE 37.A O no hydrogen 3.176 N/A ALA 42.A N LEU 38.A O no hydrogen 3.193 N/A ILE 43.A N LEU 39.A O no hydrogen 2.918 N/A GLU 44.A N SER 40.A O no hydrogen 3.126 N/A LYS 45.A N ARG 41.A O no hydrogen 3.047 N/A TYR 46.A N ALA 42.A O no hydrogen 2.727 N/A GLY 47.A N ILE 43.A O no hydrogen 2.917 N/A HIS 50.A N GLY 47.A O no hydrogen 3.290 N/A VAL 52.A N ARG 73.A O no hydrogen 2.984 N/A TYR 54.A OH GLU 110.A OE1 no hydrogen 2.686 N/A THR 57.A OG1 ASP 137.A OD1 no hydrogen 2.559 N/A THR 57.A OG1 ASP 137.A OD2 no hydrogen 3.286 N/A ALA 58.A N ASP 137.A OD2 no hydrogen 2.439 N/A TYR 59.A N THR 57.A OG1 no hydrogen 3.045 N/A VAL 63.A N GLU 110.A OE2 no hydrogen 2.817 N/A ARG 65.A N LEU 61.A O no hydrogen 2.855 N/A ARG 65.A NH1 GLY 69.A O no hydrogen 2.652 N/A ALA 66.A N PRO 62.A O no hydrogen 2.923 N/A PHE 67.A N VAL 63.A O no hydrogen 3.105 N/A SER 68.A N ILE 64.A O no hydrogen 3.103 N/A SER 68.A OG GLU 70.A OE1 no hydrogen 2.463 N/A SER 68.A OG GLU 70.A OE2 no hydrogen 3.485 N/A SER 68.A OG TYR 107.A OH no hydrogen 2.941 N/A GLY 69.A N ILE 64.A O no hydrogen 2.973 N/A GLU 70.A N GLU 70.A OE1 no hydrogen 2.751 N/A ARG 73.A N ASP 77.A OD2 no hydrogen 3.011 N/A ARG 73.A NE GLU 71.A O no hydrogen 3.399 N/A THR 74.A N ASP 77.A OD2 no hydrogen 3.036 N/A THR 74.A OG1 ASP 77.A OD2 no hydrogen 3.343 N/A LEU 75.A N HIS 50.A O no hydrogen 2.973 N/A LYS 76.A N PRO 48.A O no hydrogen 2.790 N/A LYS 76.A NZ THR 74.A OG1 no hydrogen 3.296 N/A ASP 77.A N THR 74.A O no hydrogen 2.698 N/A MET 78.A N LEU 75.A O no hydrogen 2.956 N/A VAL 79.A N LYS 76.A O no hydrogen 3.355 N/A LEU 82.A N MET 78.A O no hydrogen 2.964 N/A ASN 83.A N VAL 79.A O no hydrogen 3.136 N/A ARG 84.A N PRO 80.A O no hydrogen 3.034 N/A ARG 84.A NH2 GLU 70.A OE2 no hydrogen 2.441 N/A MET 85.A N ILE 81.A O no hydrogen 2.853 N/A ARG 86.A N LEU 82.A O no hydrogen 2.855 N/A ARG 86.A NE GLU 36.A OE2 no hydrogen 3.008 N/A ARG 86.A NH2 SER 33.A OG no hydrogen 3.305 N/A ARG 86.A NH2 GLU 36.A OE1 no hydrogen 2.519 N/A ARG 86.A NH2 GLU 36.A OE2 no hydrogen 3.198 N/A ALA 87.A N ASN 83.A O no hydrogen 3.031 N/A GLN 88.A N MET 85.A O no hydrogen 2.818 N/A ILE 89.A N ARG 86.A O no hydrogen 3.005 N/A THR 94.A N GLU 92.A O no hydrogen 2.839 N/A ASN 97.A N THR 94.A OG1 no hydrogen 3.164 N/A ASN 97.A ND2 GLU 92.A O no hydrogen 2.934 N/A ALA 98.A N THR 94.A O no hydrogen 2.821 N/A ARG 99.A N PHE 95.A O no hydrogen 3.003 N/A LEU 100.A N GLU 96.A O no hydrogen 2.866 N/A ALA 101.A N ASN 97.A O no hydrogen 2.998 N/A ALA 101.A N ALA 98.A O no hydrogen 2.529 N/A GLY 102.A N ALA 98.A O no hydrogen 2.845 N/A GLU 103.A N ARG 99.A O no hydrogen 2.934 N/A ALA 104.A N LEU 100.A O no hydrogen 3.095 N/A THR 105.A N ALA 101.A O no hydrogen 2.808 N/A THR 105.A OG1 ALA 101.A O no hydrogen 2.716 N/A TRP 106.A N GLY 102.A O no hydrogen 3.040 N/A TRP 106.A NE1 ALA 264.A O no hydrogen 3.031 N/A TYR 107.A N GLU 103.A O no hydrogen 2.920 N/A TYR 107.A OH SER 68.A OG no hydrogen 2.941 N/A ALA 108.A N ALA 104.A O no hydrogen 2.894 N/A ALA 109.A N THR 105.A O no hydrogen 2.910 N/A GLU 110.A N TRP 106.A O no hydrogen 2.880 N/A ILE 111.A N TYR 107.A O no hydrogen 2.763 N/A ILE 112.A N ALA 108.A O no hydrogen 2.803 N/A GLU 113.A N ALA 109.A O no hydrogen 2.832 N/A ALA 114.A N GLU 110.A O no hydrogen 2.945 N/A LEU 115.A N ILE 111.A O no hydrogen 2.794 N/A ARG 116.A N ILE 112.A O no hydrogen 2.919 N/A TYR 117.A N ALA 114.A O no hydrogen 2.875 N/A LEU 118.A N LEU 115.A O no hydrogen 3.331 N/A HIS 120.A N TYR 117.A O no hydrogen 2.895 N/A THR 121.A OG1 ASN 124.A OD1 no hydrogen 3.238 N/A ASN 124.A N THR 121.A O no hydrogen 3.108 N/A THR 132.A N PRO 207.A O no hydrogen 2.764 N/A THR 132.A OG1 GLY 133.A O no hydrogen 3.377 N/A THR 132.A OG1 PRO 207.A O no hydrogen 3.258 N/A GLY 133.A N LEU 208.A O no hydrogen 3.158 N/A PHE 134.A N TYR 117.A OH no hydrogen 2.625 N/A ASP 137.A N ASP 56.A O no hydrogen 2.851 N/A VAL 139.A N GLY 136.A O no hydrogen 3.240 N/A VAL 140.A N GLY 136.A O no hydrogen 3.370 N/A ARG 141.A N ASP 137.A O no hydrogen 2.764 N/A GLN 142.A N PRO 138.A O no hydrogen 3.016 N/A TYR 143.A N VAL 139.A O no hydrogen 2.745 N/A GLY 144.A N VAL 140.A O no hydrogen 2.510 N/A MET 147.A N TYR 143.A O no hydrogen 3.035 N/A VAL 148.A N GLY 144.A O no hydrogen 2.768 N/A ASP 149.A N ILE 145.A O no hydrogen 2.823 N/A TRP 150.A N MET 147.A O no hydrogen 3.145 N/A THR 151.A N ASP 149.A OD1 no hydrogen 2.794 N/A THR 151.A OG1 ASP 149.A OD1 no hydrogen 2.922 N/A ILE 152.A N LYS 146.A O no hydrogen 3.113 N/A GLU 155.A N LEU 248.A O no hydrogen 2.442 N/A ALA 156.A N MET 181.A O no hydrogen 2.844 N/A ILE 157.A N PHE 250.A O no hydrogen 2.944 N/A ILE 158.A N PHE 183.A O no hydrogen 2.716 N/A ILE 159.A N LEU 252.A O no hydrogen 2.938 N/A GLY 160.A N CYS 185.A O no hydrogen 2.517 N/A GLY 160.A N ASP 186.A OD2 no hydrogen 2.835 N/A ARG 161.A N LEU 254.A O no hydrogen 2.532 N/A ARG 161.A NE GLN 191.A OE1 no hydrogen 3.329 N/A ARG 161.A NH2 GLN 191.A OE1 no hydrogen 3.440 N/A LYS 163.A N TYR 297.A OH no hydrogen 2.924 N/A SER 165.A OG GLU 194.A OE1 no hydrogen 3.449 N/A ALA 168.A N ASP 164.A O no hydrogen 2.875 N/A LYS 169.A N SER 165.A O no hydrogen 2.727 N/A LYS 169.A NZ GLU 195.A O no hydrogen 3.510 N/A LYS 170.A N LYS 166.A O no hydrogen 2.884 N/A LYS 170.A NZ TYR 297.A O no hydrogen 2.280 N/A LYS 170.A NZ ASP 298.A OD1 no hydrogen 2.985 N/A ILE 171.A N ALA 167.A O no hydrogen 3.428 N/A VAL 172.A N ALA 168.A O no hydrogen 2.901 N/A ASP 173.A N LYS 170.A O no hydrogen 3.090 N/A ASP 174.A N LYS 170.A O no hydrogen 3.173 N/A LEU 175.A N ILE 171.A O no hydrogen 2.688 N/A LYS 178.A N ASP 174.A O no hydrogen 2.557 N/A LYS 178.A N LEU 175.A O no hydrogen 2.999 N/A MET 181.A N GLY 154.A O no hydrogen 3.399 N/A LEU 182.A N ILE 204.A O no hydrogen 2.780 N/A PHE 183.A N ALA 156.A O no hydrogen 2.721 N/A LEU 184.A N TYR 206.A O no hydrogen 2.564 N/A CYS 185.A N ILE 158.A O no hydrogen 2.657 N/A CYS 185.A SG GLY 209.A O no hydrogen 3.752 N/A CYS 185.A SG PHE 211.A O no hydrogen 3.759 N/A ILE 188.A N GLY 160.A O no hydrogen 3.093 N/A ILE 189.A N ASP 186.A O no hydrogen 3.296 N/A GLN 191.A N GLU 187.A O no hydrogen 3.141 N/A LEU 192.A N ILE 188.A O no hydrogen 2.656 N/A LEU 193.A N ILE 189.A O no hydrogen 2.876 N/A GLU 194.A N GLU 190.A O no hydrogen 2.916 N/A GLU 195.A N GLN 191.A O no hydrogen 3.283 N/A ASN 196.A N LEU 193.A O no hydrogen 3.005 N/A VAL 197.A N LEU 192.A O no hydrogen 3.408 N/A LYS 198.A NZ TYR 203.A OH no hydrogen 3.014 N/A TYR 203.A N GLY 200.A O no hydrogen 3.092 N/A ILE 204.A N VAL 201.A O no hydrogen 2.573 N/A ALA 205.A N GLY 200.A O no hydrogen 2.871 N/A TYR 206.A N LEU 182.A O no hydrogen 2.440 N/A TYR 206.A OH TYR 220.A OH no hydrogen 2.940 N/A LEU 208.A N LEU 184.A O no hydrogen 2.575 N/A ASN 210.A N GLN 213.A OE1 no hydrogen 2.378 N/A THR 212.A OG1 GLU 113.A OE2 no hydrogen 2.776 N/A VAL 214.A N PHE 211.A O no hydrogen 3.376 N/A VAL 215.A N THR 212.A O no hydrogen 2.944 N/A HIS 216.A N GLN 213.A O no hydrogen 3.275 N/A HIS 216.A NE2 GLU 113.A OE1 no hydrogen 2.642 N/A ALA 217.A N VAL 214.A O no hydrogen 2.780 N/A ASN 219.A N VAL 215.A O no hydrogen 3.033 N/A ASN 219.A ND2 GLU 110.A OE1 no hydrogen 2.751 N/A ASN 219.A ND2 HIS 216.A ND1 no hydrogen 3.281 N/A TYR 220.A N ALA 217.A O no hydrogen 3.254 N/A TYR 220.A OH TYR 206.A OH no hydrogen 2.940 N/A ALA 221.A N ALA 217.A O no hydrogen 3.059 N/A LEU 222.A N ALA 218.A O no hydrogen 2.833 N/A ARG 223.A NE ASN 219.A O no hydrogen 2.653 N/A ARG 223.A NH1 ILE 135.A O no hydrogen 2.870 N/A ARG 223.A NH1 ASP 137.A OD1 no hydrogen 3.017 N/A ARG 223.A NH2 ILE 135.A O no hydrogen 2.867 N/A ARG 223.A NH2 ASN 219.A O no hydrogen 3.404 N/A ARG 223.A NH2 ASN 219.A OD1 no hydrogen 3.169 N/A ALA 224.A N ALA 221.A O no hydrogen 2.878 N/A GLY 225.A N LEU 222.A O no hydrogen 3.185 N/A LEU 226.A N LEU 222.A O no hydrogen 3.247 N/A MET 227.A N ARG 223.A O no hydrogen 2.747 N/A PHE 228.A N ALA 224.A O no hydrogen 2.886 N/A GLY 229.A N ALA 224.A O no hydrogen 3.184 N/A ILE 231.A N GLY 225.A O no hydrogen 3.167 N/A GLY 234.A N ALA 66.A O no hydrogen 2.891 N/A LEU 235.A N ALA 232.A O no hydrogen 3.302 N/A ARG 236.A NE GLU 103.A OE2 no hydrogen 3.000 N/A ARG 236.A NH2 GLU 103.A OE1 no hydrogen 3.187 N/A HIS 239.A N LEU 235.A O no hydrogen 2.838 N/A ARG 240.A N ARG 236.A O no hydrogen 3.013 N/A ARG 240.A NH1 ASP 4.A OD1 no hydrogen 3.456 N/A ARG 240.A NH1 PHE 270.A O no hydrogen 2.512 N/A ARG 240.A NH2 ASP 4.A OD2 no hydrogen 3.504 N/A ARG 240.A NH2 ASP 237.A OD1 no hydrogen 3.379 N/A ASP 241.A N ASP 237.A O no hydrogen 2.894 N/A TYR 242.A N ALA 238.A O no hydrogen 2.875 N/A GLN 243.A N HIS 239.A O no hydrogen 2.938 N/A GLN 243.A NE2 ALA 221.A O no hydrogen 2.933 N/A ARG 244.A N ARG 240.A O no hydrogen 2.999 N/A ARG 245.A N ASP 241.A O no hydrogen 3.112 N/A ARG 246.A N TYR 242.A O no hydrogen 2.963 N/A ARG 246.A NH1 VAL 148.A O no hydrogen 2.651 N/A VAL 247.A N GLN 243.A O no hydrogen 2.709 N/A ALA 249.A N VAL 247.A O no hydrogen 2.913 N/A PHE 250.A N GLU 155.A O no hydrogen 3.044 N/A VAL 251.A N PRO 274.A O no hydrogen 2.890 N/A LEU 252.A N ILE 157.A O no hydrogen 2.860 N/A TYR 253.A N ILE 276.A O no hydrogen 3.324 N/A TYR 253.A OH THR 262.A OG1 no hydrogen 2.156 N/A LEU 254.A N ILE 159.A O no hydrogen 3.060 N/A HIS 257.A NE2 THR 277.A OG1 no hydrogen 2.778 N/A LYS 261.A N ASP 258.A OD1 no hydrogen 3.179 N/A LYS 261.A NZ ASP 258.A OD2 no hydrogen 2.380 N/A THR 262.A N ASP 258.A O no hydrogen 3.041 N/A THR 262.A OG1 GLU 23.A OE2 no hydrogen 2.811 N/A THR 262.A OG1 TYR 253.A OH no hydrogen 2.156 N/A THR 262.A OG1 ASP 258.A O no hydrogen 3.239 N/A ALA 263.A N MET 259.A O no hydrogen 2.824 N/A ALA 264.A N VAL 260.A O no hydrogen 2.915 N/A ALA 265.A N LYS 261.A O no hydrogen 2.839 N/A MET 266.A N THR 262.A O no hydrogen 2.963 N/A GLY 267.A N ALA 263.A O no hydrogen 3.106 N/A GLY 267.A N ALA 264.A O no hydrogen 2.897 N/A ALA 268.A N ALA 264.A O no hydrogen 3.221 N/A ALA 268.A N ALA 265.A O no hydrogen 3.043 N/A ILE 269.A N ALA 265.A O no hydrogen 3.259 N/A ILE 269.A N MET 266.A O no hydrogen 3.021 N/A PHE 270.A N MET 266.A O no hydrogen 2.992 N/A THR 271.A OG1 THR 271.A O no hydrogen 2.627 N/A GLY 272.A N ILE 269.A O no hydrogen 2.786 N/A PHE 273.A N ALA 268.A O no hydrogen 2.554 N/A VAL 275.A N TRP 290.A O no hydrogen 2.801 N/A ILE 276.A N VAL 251.A O no hydrogen 2.793 N/A THR 277.A N ILE 292.A O no hydrogen 2.944 N/A THR 277.A OG1 TYR 253.A O no hydrogen 2.426 N/A THR 277.A OG1 HIS 257.A NE2 no hydrogen 2.778 N/A ASP 278.A N TYR 253.A O no hydrogen 3.219 N/A LEU 281.A N SER 293.A OG no hydrogen 3.168 N/A LYS 285.A NZ GLU 23.A OE1 no hydrogen 2.702 N/A LYS 285.A NZ GLU 23.A OE2 no hydrogen 3.164 N/A LYS 285.A NZ HIS 257.A ND1 no hydrogen 2.570 N/A ILE 287.A N PHE 291.A O no hydrogen 2.882 N/A TRP 290.A N ILE 287.A O no hydrogen 3.128 N/A PHE 291.A N ILE 287.A O no hydrogen 3.172 N/A ILE 292.A N VAL 275.A O no hydrogen 3.065 N/A GLU 294.A N THR 277.A O no hydrogen 3.255 N/A TYR 297.A OH ASP 278.A OD2 no hydrogen 2.259 N/A LYS 299.A N ASP 296.A O no hydrogen 2.605 N/A THR 303.A N LYS 299.A O no hydrogen 2.951 N/A ALA 304.A N ILE 300.A O no hydrogen 2.659 N/A ALA 304.A N VAL 301.A O no hydrogen 2.821 N/A LEU 305.A N VAL 301.A O no hydrogen 3.180 N/A GLU 306.A N GLN 302.A O no hydrogen 3.117 N/A VAL 307.A N THR 303.A O no hydrogen 3.088 N/A ARG 308.A N ALA 304.A O no hydrogen 2.768 N/A ARG 308.A NE ALA 249.A O no hydrogen 2.846 N/A ARG 308.A NH2 ARG 244.A O no hydrogen 3.088 N/A GLY 309.A N LEU 305.A O no hydrogen 2.910 N/A ILE 310.A N LEU 305.A O no hydrogen 2.667 N/A SER 314.A OG ILE 315.A O no hydrogen 3.230 N/A ASN 322.A ND2 GLU 414.A OE1 no hydrogen 3.189 N/A GLY 324.A N TYR 412.A O no hydrogen 3.255 N/A PHE 327.A N GLY 324.A O no hydrogen 3.390 N/A GLU 328.A N PRO 325.A O no hydrogen 2.952 N/A ASP 336.A N ARG 333.A O no hydrogen 3.413 N/A MET 337.A N ARG 333.A O no hydrogen 2.837 N/A HIS 338.A N ILE 429.A O no hydrogen 2.524 N/A VAL 339.A N ILE 429.A O no hydrogen 3.349 N/A GLU 340.A N GLY 379.A O no hydrogen 3.020 N/A PHE 341.A N VAL 427.A O no hydrogen 2.923 N/A GLY 342.A N THR 346.A OG1 no hydrogen 2.832 N/A GLY 343.A N THR 425.A O no hydrogen 3.222 N/A LYS 345.A NZ GLU 340.A OE1 no hydrogen 2.834 N/A LYS 345.A NZ GLU 340.A OE2 no hydrogen 3.177 N/A THR 346.A N GLY 342.A O no hydrogen 3.023 N/A THR 346.A OG1 GLY 342.A O no hydrogen 3.286 N/A THR 346.A OG1 LEU 381.A O no hydrogen 3.389 N/A SER 348.A OG THR 425.A O no hydrogen 3.086 N/A GLU 350.A N TYR 484.A OH no hydrogen 3.323 N/A LEU 351.A N ILE 385.A O no hydrogen 3.015 N/A ARG 353.A N VAL 387.A O no hydrogen 2.742 N/A ARG 353.A NE ASP 388.A OD1 no hydrogen 2.518 N/A ARG 353.A NH2 ASP 388.A OD1 no hydrogen 2.645 N/A VAL 355.A N ILE 389.A O no hydrogen 2.545 N/A ILE 360.A N PRO 357.A O no hydrogen 2.993 N/A GLY 363.A N VAL 462.A O no hydrogen 3.218 N/A LYS 364.A N GLU 361.A O no hydrogen 2.849 N/A GLU 366.A N VAL 464.A O no hydrogen 3.173 N/A ILE 372.A N ASP 371.A OD1 no hydrogen 2.368 N/A ASP 373.A N ASP 373.A OD1 no hydrogen 2.406 N/A GLY 378.A N HIS 338.A O no hydrogen 2.434 N/A GLY 379.A N HIS 338.A O no hydrogen 3.247 N/A ILE 383.A N PRO 347.A O no hydrogen 3.125 N/A ILE 385.A N PHE 349.A O no hydrogen 3.401 N/A VAL 386.A N THR 465.A O no hydrogen 3.493 N/A VAL 387.A N LEU 351.A O no hydrogen 2.803 N/A ASP 388.A N GLN 463.A O no hydrogen 2.971 N/A ILE 389.A N ARG 353.A O no hydrogen 2.770 N/A TYR 390.A N ARG 461.A O no hydrogen 3.307 N/A ARG 392.A N ASP 460.A OD2 no hydrogen 2.623 N/A MET 394.A N GLY 391.A O no hydrogen 3.353 N/A GLN 395.A NE2 GLU 540.A OE1 no hydrogen 3.539 N/A PHE 398.A N GLN 395.A O no hydrogen 3.129 N/A GLU 399.A N GLU 396.A O no hydrogen 2.880 N/A LEU 402.A N PHE 398.A O no hydrogen 3.056 N/A LEU 402.A N GLU 399.A O no hydrogen 2.901 N/A GLU 403.A N GLU 399.A O no hydrogen 3.001 N/A ARG 404.A N PRO 400.A O no hydrogen 3.284 N/A ARG 405.A N LEU 402.A O no hydrogen 2.470 N/A ARG 405.A NE GLU 454.A OE1 no hydrogen 3.223 N/A ARG 405.A NH2 GLU 454.A OE1 no hydrogen 3.473 N/A ILE 406.A N GLU 403.A O no hydrogen 3.035 N/A PHE 409.A N ARG 405.A O no hydrogen 2.563 N/A THR 410.A N ILE 406.A O no hydrogen 2.631 N/A THR 410.A OG1 ILE 406.A O no hydrogen 2.955 N/A ASN 411.A N HIS 407.A O no hydrogen 3.065 N/A ASN 411.A ND2 HIS 407.A NE2 no hydrogen 3.363 N/A ASN 411.A ND2 HIS 407.A O no hydrogen 3.516 N/A TYR 412.A N PHE 409.A O no hydrogen 2.893 N/A GLU 414.A N ASN 322.A O no hydrogen 2.702 N/A GLY 415.A N GLU 330.A OE1 no hydrogen 3.043 N/A GLY 415.A N GLU 330.A OE2 no hydrogen 3.147 N/A HIS 418.A NE2 GLU 350.A OE1 no hydrogen 2.674 N/A THR 419.A OG1 HIS 418.A O no hydrogen 3.291 N/A ARG 422.A NH1 TYR 484.A O no hydrogen 3.238 N/A ARG 422.A NH2 ASP 488.A OD1 no hydrogen 2.958 N/A THR 425.A N ARG 422.A O no hydrogen 3.003 N/A TRP 426.A N THR 419.A O no hydrogen 2.865 N/A TRP 426.A NE1 GLU 340.A OE2 no hydrogen 2.866 N/A VAL 427.A N PHE 341.A O no hydrogen 2.717 N/A ARG 428.A N TRP 417.A O no hydrogen 3.135 N/A ARG 428.A NH1 ILE 332.A O no hydrogen 2.505 N/A ILE 429.A N VAL 339.A O no hydrogen 3.221 N/A SER 430.A N GLY 415.A O no hydrogen 2.931 N/A LYS 431.A N ASP 336.A O no hydrogen 2.956 N/A LYS 431.A NZ GLY 335.A O no hydrogen 3.445 N/A ALA 433.A N SER 430.A OG no hydrogen 3.201 N/A PHE 434.A N SER 430.A O no hydrogen 3.243 N/A ALA 435.A N LYS 431.A O no hydrogen 2.759 N/A LYS 436.A N GLU 432.A O no hydrogen 3.089 N/A LYS 436.A N ALA 433.A O no hydrogen 2.751 N/A GLY 437.A N PHE 434.A O no hydrogen 3.331 N/A ARG 439.A NH1 ALA 438.A O no hydrogen 2.337 N/A LEU 440.A N ASP 371.A OD1 no hydrogen 2.876 N/A HIS 442.A N ARG 439.A O no hydrogen 2.503 N/A LEU 443.A N LEU 440.A O no hydrogen 3.367 N/A GLN 445.A N HIS 442.A O no hydrogen 3.088 N/A GLN 445.A NE2 LYS 441.A O no hydrogen 3.376 N/A LEU 446.A N HIS 442.A O no hydrogen 2.992 N/A LEU 447.A N LEU 443.A O no hydrogen 3.358 N/A TYR 448.A N GLY 444.A O no hydrogen 3.347 N/A TYR 448.A OH ASP 362.A OD1 no hydrogen 3.429 N/A TYR 448.A OH ASP 362.A OD2 no hydrogen 2.756 N/A ALA 449.A N GLN 445.A O no hydrogen 3.093 N/A LYS 450.A N LEU 446.A O no hydrogen 3.279 N/A PHE 451.A N LEU 447.A O no hydrogen 3.207 N/A LYS 452.A N TYR 448.A O no hydrogen 3.271 N/A LYS 452.A N ALA 449.A O no hydrogen 3.090 N/A LYS 452.A NZ ASP 362.A OD1 no hydrogen 3.087 N/A LYS 452.A NZ ASP 362.A OD2 no hydrogen 2.624 N/A LYS 452.A NZ TYR 448.A OH no hydrogen 2.574 N/A GLN 453.A N ALA 449.A O no hydrogen 3.140 N/A GLN 453.A N LYS 450.A O no hydrogen 2.536 N/A GLU 454.A N LYS 450.A O no hydrogen 2.689 N/A VAL 459.A N PHE 455.A O no hydrogen 3.247 N/A ASP 460.A N TYR 390.A O no hydrogen 2.940 N/A ARG 461.A N TYR 390.A O no hydrogen 3.050 N/A VAL 462.A N ASP 362.A OD1 no hydrogen 3.028 N/A GLN 463.A N ASP 388.A O no hydrogen 3.193 N/A THR 468.A OG1 PRO 370.A O no hydrogen 2.592 N/A GLN 471.A N ASP 469.A OD1 no hydrogen 2.572 N/A VAL 473.A N ASP 469.A O no hydrogen 3.252 N/A LEU 476.A N LYS 472.A O no hydrogen 3.111 N/A LYS 483.A NZ GLU 399.A OE1 no hydrogen 2.939 N/A LYS 483.A NZ GLU 399.A OE2 no hydrogen 3.341 N/A TYR 484.A N ALA 480.A O no hydrogen 2.570 N/A TYR 484.A OH GLU 350.A O no hydrogen 2.381 N/A ALA 485.A N ARG 481.A O no hydrogen 3.201 N/A GLU 486.A N LYS 483.A O no hydrogen 3.117 N/A ARG 487.A NH1 GLU 403.A OE1 no hydrogen 2.262 N/A ASP 488.A N TYR 484.A O no hydrogen 2.675 N/A LEU 491.A N ARG 487.A O no hydrogen 3.395 N/A GLU 493.A N ALA 489.A O no hydrogen 3.221 N/A LEU 494.A N LEU 491.A O no hydrogen 2.746 N/A ASP 496.A N GLU 522.A OE2 no hydrogen 3.002 N/A ALA 498.A N SER 495.A OG no hydrogen 3.004 N/A VAL 499.A N ASP 496.A O no hydrogen 3.486 N/A THR 501.A OG1 ASP 500.A OD1 no hydrogen 3.008 N/A TYR 502.A N ILE 550.A O no hydrogen 2.659 N/A TYR 503.A N VAL 519.A O no hydrogen 3.103 N/A SER 504.A N GLN 548.A O no hydrogen 2.770 N/A SER 504.A OG TYR 569.A OH no hydrogen 2.701 N/A CYS 505.A N CYS 517.A O no hydrogen 2.947 N/A CYS 505.A SG ASN 547.A OD1 no hydrogen 3.436 N/A LEU 506.A N PRO 546.A O no hydrogen 2.866 N/A GLN 509.A N LEU 506.A O no hydrogen 2.844 N/A PHE 511.A N CYS 508.A O no hydrogen 2.862 N/A ALA 512.A N CYS 508.A O no hydrogen 2.732 N/A THR 514.A OG1 GLY 637.A O no hydrogen 2.748 N/A HIS 515.A N ALA 512.A O no hydrogen 2.886 N/A HIS 515.A ND1 THR 592.A OG1 no hydrogen 2.677 N/A CYS 517.A N CYS 505.A O no hydrogen 3.242 N/A CYS 517.A SG HIS 515.A NE2 no hydrogen 3.177 N/A VAL 519.A N TYR 503.A O no hydrogen 2.692 N/A SER 520.A N ARG 523.A O no hydrogen 3.379 N/A SER 520.A OG ASP 496.A OD1 no hydrogen 2.913 N/A GLU 522.A N ASP 496.A OD1 no hydrogen 2.903 N/A ARG 523.A N SER 520.A O no hydrogen 2.859 N/A ARG 523.A NH1 LEU 583.A O no hydrogen 3.071 N/A GLY 525.A N ILE 530.A O no hydrogen 2.923 N/A GLY 528.A N GLY 525.A O no hydrogen 2.794 N/A SER 531.A N ASP 534.A OD2 no hydrogen 2.990 N/A SER 531.A OG ASP 534.A OD2 no hydrogen 2.745 N/A TRP 532.A NE1 THR 501.A O no hydrogen 3.026 N/A ASP 534.A N SER 531.A OG no hydrogen 3.073 N/A ALA 535.A N SER 531.A O no hydrogen 2.828 N/A LYS 536.A N TRP 532.A O no hydrogen 2.814 N/A ALA 537.A N LEU 533.A O no hydrogen 2.940 N/A ALA 538.A N ASP 534.A O no hydrogen 3.157 N/A TYR 539.A N ALA 535.A O no hydrogen 3.161 N/A GLU 540.A N LYS 536.A O no hydrogen 3.199 N/A ILE 541.A N ALA 537.A O no hydrogen 2.628 N/A ASN 542.A N ALA 538.A O no hydrogen 2.690 N/A GLY 545.A N ASN 542.A O no hydrogen 2.574 N/A GLN 548.A N SER 504.A OG no hydrogen 3.235 N/A ILE 550.A N TYR 502.A O no hydrogen 2.656 N/A LYS 552.A N ASP 500.A O no hydrogen 2.895 N/A LYS 552.A NZ VAL 499.A O no hydrogen 2.895 N/A LYS 552.A NZ TYR 502.A OH no hydrogen 3.092 N/A GLU 553.A N SER 565.A OG no hydrogen 3.111 N/A ILE 556.A N GLN 562.A O no hydrogen 2.901 N/A ASP 557.A N GLN 562.A O no hydrogen 3.201 N/A VAL 559.A N ASP 557.A OD1 no hydrogen 2.921 N/A LYS 560.A N ASP 557.A OD1 no hydrogen 2.935 N/A LYS 560.A NZ GLU 588.A OE2 no hydrogen 2.365 N/A GLY 561.A N ASP 557.A O no hydrogen 2.891 N/A GLN 562.A N ASP 557.A O no hydrogen 3.133 N/A GLN 562.A NE2 ASN 567.A OD1 no hydrogen 2.780 N/A GLU 564.A N GLY 554.A O no hydrogen 2.841 N/A SER 565.A N GLU 553.A O no hydrogen 3.019 N/A SER 565.A OG PRO 551.A O no hydrogen 2.680 N/A SER 565.A OG GLU 553.A O no hydrogen 3.297 N/A ASN 567.A N TRP 563.A O no hydrogen 2.998 N/A ASN 567.A ND2 MET 581.A O no hydrogen 3.606 N/A GLU 568.A N GLU 564.A O no hydrogen 2.758 N/A TYR 569.A N SER 565.A O no hydrogen 3.055 N/A TYR 569.A OH SER 504.A OG no hydrogen 2.701 N/A ILE 570.A N PHE 566.A O no hydrogen 2.938 N/A TYR 571.A N ASN 567.A O no hydrogen 2.947 N/A LYS 572.A N GLU 568.A O no hydrogen 2.976 N/A ASN 573.A N TYR 569.A O no hydrogen 2.941 N/A SER 574.A OG ILE 570.A O no hydrogen 2.699 N/A SER 574.A OG TYR 571.A O no hydrogen 3.404 N/A ARG 576.A N TYR 571.A O no hydrogen 2.741 N/A THR 577.A N SER 574.A O no hydrogen 2.955 N/A THR 577.A N SER 574.A OG no hydrogen 3.261 N/A THR 577.A OG1 SER 574.A O no hydrogen 2.738 N/A ILE 578.A N SER 574.A OG no hydrogen 3.113 N/A ASN 582.A N TYR 589.A O no hydrogen 2.925 N/A ASN 582.A ND2 GLN 562.A OE1 no hydrogen 3.003 N/A LEU 583.A N GLY 561.A O no hydrogen 2.844 N/A TYR 584.A N LYS 560.A O no hydrogen 2.869 N/A TYR 584.A OH ASP 496.A OD2 no hydrogen 2.536 N/A THR 585.A OG1 ASP 660.A OD1 no hydrogen 2.472 N/A THR 585.A OG1 ASP 660.A OD2 no hydrogen 3.151 N/A ILE 586.A N ASP 660.A OD2 no hydrogen 2.931 N/A MET 587.A N THR 585.A OG1 no hydrogen 3.013 N/A THR 592.A OG1 HIS 515.A ND1 no hydrogen 2.677 N/A GLU 598.A N LEU 526.A O no hydrogen 3.182 N/A ALA 599.A N ILE 646.A O no hydrogen 3.014 N/A ILE 600.A N VAL 613.A O no hydrogen 2.864 N/A MET 601.A N MET 644.A O no hydrogen 2.943 N/A ALA 602.A N MET 611.A O no hydrogen 3.137 N/A TYR 603.A N GLY 642.A O no hydrogen 2.921 N/A LEU 604.A N GLY 609.A O no hydrogen 2.853 N/A GLU 606.A N GLU 606.A OE1 no hydrogen 2.635 N/A LEU 607.A N LEU 604.A O no hydrogen 3.061 N/A ASN 608.A N PRO 605.A O no hydrogen 3.265 N/A PHE 610.A N ARG 665.A O no hydrogen 2.876 N/A MET 611.A N ALA 602.A O no hydrogen 3.147 N/A ILE 612.A N TRP 668.A O no hydrogen 2.966 N/A VAL 613.A N ILE 600.A O no hydrogen 2.767 N/A ARG 615.A N GLU 598.A O no hydrogen 2.939 N/A ARG 615.A NH1 GLY 595.A O no hydrogen 3.031 N/A ARG 615.A NH1 PHE 597.A O no hydrogen 2.841 N/A ARG 615.A NH2 GLY 595.A O no hydrogen 3.133 N/A HIS 617.A N ASN 614.A O no hydrogen 2.966 N/A THR 621.A N MET 625.A O no hydrogen 3.346 N/A THR 621.A OG1 MET 625.A O no hydrogen 2.771 N/A GLY 624.A N THR 621.A O no hydrogen 2.945 N/A LEU 630.A N THR 626.A O no hydrogen 3.057 N/A ALA 631.A N PHE 627.A O no hydrogen 2.719 N/A GLY 632.A N SER 628.A O no hydrogen 3.183 N/A MET 633.A N LEU 630.A O no hydrogen 2.830 N/A VAL 634.A N LEU 630.A O no hydrogen 2.890 N/A GLY 635.A N ALA 631.A O no hydrogen 2.945 N/A GLY 636.A N CYS 594.A O no hydrogen 2.870 N/A GLY 637.A N SER 593.A O no hydrogen 2.864 N/A THR 640.A OG1 PHE 643.A O no hydrogen 3.179 N/A GLY 642.A N ILE 586.A O no hydrogen 2.814 N/A PHE 643.A N THR 640.A O no hydrogen 2.984 N/A MET 644.A N MET 601.A O no hydrogen 3.058 N/A ILE 646.A N ALA 599.A O no hydrogen 2.831 N/A LYS 648.A N GLU 598.A OE1 no hydrogen 2.649 N/A LYS 648.A NZ GLU 616.A OE2 no hydrogen 3.537 N/A LYS 648.A NZ GLN 676.A OE1 no hydrogen 3.420 N/A TYR 650.A N GLY 647.A O no hydrogen 3.083 N/A TYR 650.A OH LYS 655.A O no hydrogen 3.279 N/A ILE 651.A N LYS 648.A O no hydrogen 3.105 N/A GLY 652.A N SER 649.A O no hydrogen 3.056 N/A SER 653.A N TYR 650.A O no hydrogen 2.896 N/A SER 653.A OG GLU 522.A O no hydrogen 2.685 N/A LYS 655.A N SER 653.A OG no hydrogen 2.828 N/A LYS 655.A NZ GLU 497.A OE2 no hydrogen 3.128 N/A PHE 656.A N SER 653.A O no hydrogen 3.246 N/A VAL 657.A N TYR 650.A OH no hydrogen 2.823 N/A LYS 658.A N LYS 655.A O no hydrogen 3.032 N/A ALA 659.A N TYR 584.A O no hydrogen 2.833 N/A ASP 660.A N VAL 657.A O no hydrogen 2.798 N/A GLY 661.A N LYS 658.A O no hydrogen 3.240 N/A GLY 662.A N VAL 657.A O no hydrogen 3.142 N/A ARG 665.A N GLY 662.A O no hydrogen 2.899 N/A ARG 665.A NE ASN 608.A O no hydrogen 3.267 N/A ARG 665.A NH1 ASP 660.A O no hydrogen 3.397 N/A ARG 665.A NH1 GLU 725.A O no hydrogen 3.236 N/A ARG 665.A NH2 ASN 608.A O no hydrogen 2.840 N/A ARG 665.A NH2 GLU 725.A O no hydrogen 2.801 N/A VAL 666.A N LEU 663.A O no hydrogen 2.833 N/A VAL 667.A N PHE 610.A O no hydrogen 2.891 N/A TRP 668.A NE1 GLY 704.A O no hydrogen 2.822 N/A MET 669.A N ALA 699.A O no hydrogen 3.078 N/A LYS 671.A N GLU 701.A OE1 no hydrogen 2.691 N/A LYS 674.A N PRO 670.A O no hydrogen 2.901 N/A LYS 674.A NZ ASP 700.A OD2 no hydrogen 2.759 N/A GLU 675.A N LYS 671.A O no hydrogen 2.979 N/A GLN 676.A N ASP 672.A O no hydrogen 2.857 N/A LEU 677.A N LEU 673.A O no hydrogen 3.013 N/A LEU 677.A N LYS 674.A O no hydrogen 3.246 N/A ARG 678.A N GLU 675.A O no hydrogen 3.089 N/A ARG 678.A NE GLU 682.A OE2 no hydrogen 3.502 N/A ARG 678.A NH1 GLU 675.A OE1 no hydrogen 3.309 N/A ARG 678.A NH1 GLU 675.A OE2 no hydrogen 3.096 N/A ARG 678.A NH2 ASP 696.A OD1 no hydrogen 3.402 N/A ILE 681.A N LEU 677.A O no hydrogen 2.914 N/A GLU 682.A N ARG 678.A O no hydrogen 2.838 N/A GLU 683.A N SER 679.A O no hydrogen 3.104 N/A ARG 684.A N ILE 680.A O no hydrogen 2.971 N/A ARG 684.A NH1 GLU 687.A OE1 no hydrogen 2.860 N/A ARG 684.A NH2 GLU 688.A OE1 no hydrogen 2.258 N/A ALA 685.A N ILE 681.A O no hydrogen 2.829 N/A GLU 686.A N GLU 682.A O no hydrogen 3.024 N/A GLU 687.A N GLU 683.A O no hydrogen 2.944 N/A GLU 688.A N ARG 684.A O no hydrogen 2.896 N/A GLY 689.A N GLU 686.A O no hydrogen 3.105 N/A LEU 690.A N ALA 685.A O no hydrogen 2.784 N/A GLY 691.A N ALA 685.A O no hydrogen 3.154 N/A PHE 694.A N GLY 691.A O no hydrogen 2.861 N/A ASP 696.A N ASP 693.A O no hydrogen 2.925 N/A LYS 697.A N PHE 694.A O no hydrogen 2.739 N/A ILE 698.A N ILE 695.A O no hydrogen 3.413 N/A ALA 699.A N VAL 667.A O no hydrogen 2.932 N/A GLU 701.A N GLU 701.A OE1 no hydrogen 2.818 N/A THR 702.A N ASP 700.A OD1 no hydrogen 2.742 N/A THR 702.A OG1 ASP 700.A OD1 no hydrogen 2.631 N/A VAL 703.A N ASP 700.A O no hydrogen 2.830 N/A GLY 704.A N ASP 700.A O no hydrogen 2.882 N/A THR 705.A N GLU 709.A OE1 no hydrogen 2.759 N/A GLU 709.A N THR 706.A OG1 no hydrogen 3.103 N/A VAL 710.A N THR 706.A O no hydrogen 3.060 N/A VAL 710.A N VAL 707.A O no hydrogen 2.930 N/A LEU 711.A N VAL 707.A O no hydrogen 2.859 N/A LEU 714.A N VAL 710.A O no hydrogen 3.206 N/A GLU 715.A N LEU 711.A O no hydrogen 2.874 N/A GLU 716.A N PRO 712.A O no hydrogen 2.848 N/A LYS 717.A N PHE 713.A O no hydrogen 2.995 N/A GLY 718.A N GLU 715.A O no hydrogen 2.496 N/A HIS 719.A N LEU 714.A O no hydrogen 2.793 N/A HIS 719.A NE2 ALA 664.A O no hydrogen 3.022 N/A LEU 722.A N HIS 719.A O no hydrogen 3.119 N/A SER 723.A N PRO 720.A O no hydrogen 2.797 N/A MET 724.A N ALA 721.A O no hydrogen 3.150 N/A LEU 727.A N TYR 603.A OH no hydrogen 2.963 N/A