Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ej1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N VAL 2.A O no hydrogen 2.448 N/A LEU 6.A N VAL 2.A O no hydrogen 3.101 N/A PHE 7.A N PRO 3.A O no hydrogen 3.146 N/A LEU 8.A N VAL 4.A O no hydrogen 3.084 N/A LEU 9.A N LEU 5.A O no hydrogen 2.805 N/A TRP 10.A N LEU 6.A O no hydrogen 2.471 N/A VAL 11.A N PHE 7.A O no hydrogen 3.324 N/A LEU 13.A N TRP 10.A O no hydrogen 3.326 N/A LEU 14.A N VAL 11.A O no hydrogen 3.161 N/A GLY 18.A N LEU 14.A O no hydrogen 2.893 N/A LEU 19.A N VAL 15.A O no hydrogen 2.950 N/A LEU 20.A N PRO 16.A O no hydrogen 2.996 N/A ALA 21.A N PHE 17.A O no hydrogen 3.152 N/A ALA 22.A N GLY 18.A O no hydrogen 3.039 N/A ALA 29.A N ALA 26.A O no hydrogen 2.712 N/A GLN 30.A N ALA 26.A O no hydrogen 3.005 N/A GLN 30.A NE2 ALA 438.A O no hydrogen 3.582 N/A GLY 31.A N PRO 27.A O no hydrogen 2.961 N/A LEU 32.A N ALA 29.A O no hydrogen 3.348 N/A ALA 34.A N GLN 30.A O no hydrogen 2.805 N/A LEU 35.A N GLY 31.A O no hydrogen 2.768 N/A SER 36.A N LEU 32.A O no hydrogen 2.678 N/A SER 36.A OG LEU 32.A O no hydrogen 2.559 N/A ALA 37.A N ILE 33.A O no hydrogen 3.128 N/A ALA 37.A N ALA 34.A O no hydrogen 3.183 N/A VAL 38.A N ALA 34.A O no hydrogen 3.205 N/A VAL 39.A N LEU 35.A O no hydrogen 3.156 N/A VAL 41.A N ALA 37.A O no hydrogen 3.007 N/A ALA 42.A N VAL 38.A O no hydrogen 3.088 N/A LEU 43.A N VAL 39.A O no hydrogen 3.002 N/A LEU 44.A N LEU 40.A O no hydrogen 2.955 N/A PHE 47.A N LEU 44.A O no hydrogen 3.145 N/A ALA 48.A N LYS 45.A O no hydrogen 3.161 N/A LYS 50.A N PHE 47.A O no hydrogen 3.034 N/A ARG 54.A N MET 51.A O no hydrogen 3.060 N/A ARG 54.A NE LYS 50.A O no hydrogen 3.359 N/A ARG 54.A NH1 SER 110.A O no hydrogen 3.139 N/A PHE 55.A N MET 51.A O no hydrogen 3.171 N/A LEU 56.A N VAL 52.A O no hydrogen 3.278 N/A LEU 57.A N PRO 53.A O no hydrogen 2.853 N/A LEU 58.A N ARG 54.A O no hydrogen 2.767 N/A SER 59.A N PHE 55.A O no hydrogen 2.891 N/A SER 59.A OG PHE 55.A O no hydrogen 2.667 N/A SER 59.A OG LEU 56.A O no hydrogen 3.016 N/A ALA 60.A N LEU 56.A O no hydrogen 2.970 N/A ALA 61.A N LEU 57.A O no hydrogen 3.178 N/A SER 62.A N LEU 58.A O no hydrogen 2.733 N/A SER 62.A OG SER 59.A O no hydrogen 2.601 N/A MET 63.A N SER 59.A O no hydrogen 3.321 N/A MET 63.A N ALA 60.A O no hydrogen 3.349 N/A LEU 64.A N ALA 61.A O no hydrogen 3.262 N/A VAL 65.A N ALA 61.A O no hydrogen 3.229 N/A MET 66.A N SER 62.A O no hydrogen 3.092 N/A ARG 67.A N MET 63.A O no hydrogen 3.096 N/A ARG 67.A NE GLN 30.A OE1 no hydrogen 3.136 N/A ARG 67.A NH1 ALA 23.A O no hydrogen 3.083 N/A ARG 67.A NH1 GLN 30.A OE1 no hydrogen 3.215 N/A ARG 67.A NH2 LEU 20.A O no hydrogen 3.050 N/A ARG 67.A NH2 ALA 23.A O no hydrogen 2.504 N/A TYR 68.A N LEU 64.A O no hydrogen 2.842 N/A TYR 68.A OH GLU 96.A OE1 no hydrogen 2.987 N/A TRP 69.A N VAL 65.A O no hydrogen 2.744 N/A PHE 70.A N MET 66.A O no hydrogen 3.143 N/A TRP 71.A N ARG 67.A O no hydrogen 3.126 N/A ARG 72.A N TYR 68.A O no hydrogen 3.088 N/A LEU 73.A N TRP 69.A O no hydrogen 2.771 N/A PHE 74.A N PHE 70.A O no hydrogen 3.154 N/A THR 76.A N TRP 71.A O no hydrogen 3.269 N/A THR 76.A OG1 TRP 71.A O no hydrogen 3.049 N/A SER 85.A OG GLU 427.A O no hydrogen 2.694 N/A PHE 86.A N ASP 83.A O no hydrogen 3.324 N/A PHE 86.A N ASP 83.A OD1 no hydrogen 2.997 N/A ALA 89.A N SER 85.A O no hydrogen 3.284 N/A LEU 90.A N PHE 86.A O no hydrogen 3.159 N/A LEU 91.A N LEU 87.A O no hydrogen 2.747 N/A LEU 92.A N PHE 88.A O no hydrogen 2.935 N/A PHE 93.A N ALA 89.A O no hydrogen 3.031 N/A VAL 95.A N LEU 91.A O no hydrogen 3.245 N/A GLU 96.A N LEU 92.A O no hydrogen 3.066 N/A THR 97.A N PHE 93.A O no hydrogen 2.927 N/A THR 97.A OG1 PHE 93.A O no hydrogen 2.402 N/A THR 97.A OG1 ALA 94.A O no hydrogen 2.459 N/A PHE 98.A N ALA 94.A O no hydrogen 3.109 N/A SER 99.A N VAL 95.A O no hydrogen 2.971 N/A SER 99.A OG VAL 95.A O no hydrogen 2.748 N/A ILE 100.A N GLU 96.A O no hydrogen 2.865 N/A SER 101.A N THR 97.A O no hydrogen 2.752 N/A SER 101.A OG THR 97.A O no hydrogen 2.583 N/A ILE 102.A N PHE 98.A O no hydrogen 2.962 N/A PHE 103.A N SER 99.A O no hydrogen 2.819 N/A PHE 104.A N ILE 100.A O no hydrogen 3.057 N/A PHE 104.A N SER 101.A O no hydrogen 3.081 N/A LEU 105.A N SER 101.A O no hydrogen 3.212 N/A ASN 106.A N ILE 102.A O no hydrogen 2.713 N/A GLY 107.A N PHE 103.A O no hydrogen 3.359 N/A GLY 107.A N PHE 104.A O no hydrogen 3.243 N/A PHE 108.A N PHE 104.A O no hydrogen 3.004 N/A LEU 109.A N LEU 105.A O no hydrogen 2.822 N/A SER 110.A OG ASN 106.A O no hydrogen 3.350 N/A THR 114.A N ARG 295.A O no hydrogen 3.079 N/A THR 114.A OG1 ARG 295.A O no hydrogen 3.397 N/A ARG 116.A NE ASP 298.A OD2 no hydrogen 2.694 N/A GLU 126.A N GLN 123.A O no hydrogen 2.692 N/A VAL 130.A N LEU 160.A O no hydrogen 3.299 N/A ASP 131.A N LEU 229.A O no hydrogen 2.722 N/A ILE 132.A N THR 162.A O no hydrogen 2.942 N/A LEU 133.A N VAL 231.A O no hydrogen 2.683 N/A VAL 134.A N VAL 164.A O no hydrogen 3.011 N/A SER 136.A N CYS 166.A O no hydrogen 2.799 N/A SER 136.A OG GLU 139.A OE1 no hydrogen 3.182 N/A TYR 137.A N GLU 139.A OE1 no hydrogen 2.686 N/A GLU 139.A N GLU 139.A OE1 no hydrogen 2.515 N/A LEU 144.A N PRO 140.A O no hydrogen 3.110 N/A SER 145.A N ALA 141.A O no hydrogen 2.786 N/A SER 145.A OG ALA 141.A O no hydrogen 2.762 N/A THR 147.A OG1 MET 143.A O no hydrogen 3.390 N/A THR 147.A OG1 LEU 144.A O no hydrogen 2.815 N/A LEU 148.A N LEU 144.A O no hydrogen 3.389 N/A ALA 149.A N SER 145.A O no hydrogen 3.103 N/A ALA 150.A N VAL 146.A O no hydrogen 3.055 N/A ALA 151.A N THR 147.A O no hydrogen 2.997 N/A LYS 152.A N LEU 148.A O no hydrogen 2.601 N/A LYS 152.A NZ LEU 200.A O no hydrogen 3.271 N/A ASN 153.A N ALA 149.A O no hydrogen 3.154 N/A ASN 153.A ND2 ALA 149.A O no hydrogen 2.335 N/A ILE 155.A N ARG 241.A O no hydrogen 2.866 N/A TYR 156.A OH PRO 128.A O no hydrogen 2.880 N/A LEU 160.A N PRO 157.A O no hydrogen 3.188 N/A ARG 161.A N ALA 158.A O no hydrogen 3.403 N/A THR 162.A N VAL 130.A O no hydrogen 3.272 N/A VAL 164.A N ILE 132.A O no hydrogen 2.636 N/A CYS 166.A SG ASN 217.A O no hydrogen 3.880 N/A ASP 167.A N SER 205.A O no hydrogen 3.439 N/A ASP 168.A N SER 136.A O no hydrogen 3.017 N/A GLY 170.A N ASP 167.A OD1 no hydrogen 2.639 N/A THR 171.A OG1 ASN 210.A OD1 no hydrogen 3.279 N/A ASP 172.A N ARG 207.A O no hydrogen 3.506 N/A ARG 174.A NE ASP 168.A O no hydrogen 2.515 N/A CYS 175.A N THR 171.A O no hydrogen 3.046 N/A CYS 175.A SG ALA 183.A O no hydrogen 4.017 N/A SER 177.A N ARG 174.A O no hydrogen 3.011 N/A SER 177.A OG ARG 174.A O no hydrogen 2.459 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.960 N/A LEU 182.A N ASP 179.A OD2 no hydrogen 2.856 N/A ALA 183.A N ASP 179.A O no hydrogen 3.238 N/A GLN 184.A N PRO 180.A O no hydrogen 3.387 N/A LYS 185.A N GLU 181.A O no hydrogen 3.100 N/A LYS 185.A NZ GLU 181.A O no hydrogen 3.500 N/A ALA 186.A N LEU 182.A O no hydrogen 3.107 N/A GLN 187.A N ALA 183.A O no hydrogen 2.797 N/A GLU 188.A N GLN 184.A O no hydrogen 2.834 N/A ARG 189.A N LYS 185.A O no hydrogen 3.247 N/A ARG 189.A NH1 ASN 138.A O no hydrogen 3.099 N/A ARG 189.A NH2 ASN 138.A O no hydrogen 3.269 N/A ARG 190.A N ALA 186.A O no hydrogen 2.775 N/A ARG 190.A NH2 ASP 172.A OD1 no hydrogen 3.407 N/A ARG 191.A N GLN 187.A O no hydrogen 3.053 N/A GLU 192.A N GLU 188.A O no hydrogen 2.917 N/A LEU 193.A N ARG 189.A O no hydrogen 3.187 N/A GLN 194.A N ARG 190.A O no hydrogen 3.027 N/A GLN 195.A N ARG 191.A O no hydrogen 2.989 N/A LEU 196.A N GLU 192.A O no hydrogen 2.865 N/A CYS 197.A N LEU 193.A O no hydrogen 3.263 N/A CYS 197.A SG LEU 193.A O no hydrogen 3.528 N/A CYS 197.A SG GLN 194.A O no hydrogen 3.819 N/A CYS 197.A SG VAL 203.A O no hydrogen 3.357 N/A ARG 198.A N GLN 195.A O no hydrogen 2.995 N/A GLU 199.A N GLN 195.A O no hydrogen 3.053 N/A GLU 199.A N LEU 196.A O no hydrogen 3.194 N/A LEU 200.A N LEU 196.A O no hydrogen 3.254 N/A GLY 201.A N ARG 198.A O no hydrogen 3.438 N/A VAL 202.A N CYS 197.A O no hydrogen 3.137 N/A VAL 203.A N VAL 163.A O no hydrogen 3.149 N/A TYR 204.A OH ASP 167.A OD1 no hydrogen 3.293 N/A SER 205.A N LEU 165.A O no hydrogen 2.845 N/A THR 206.A OG1 SER 205.A O no hydrogen 2.300 N/A ARG 207.A NH1 ASP 168.A OD1 no hydrogen 3.401 N/A ARG 207.A NH1 ASN 210.A OD1 no hydrogen 3.216 N/A ARG 207.A NH2 GLU 211.A O no hydrogen 2.486 N/A ASN 210.A N GLN 173.A OE1 no hydrogen 3.034 N/A ASN 210.A ND2 GLN 173.A OE1 no hydrogen 3.532 N/A LYS 214.A NZ GLY 307.A O no hydrogen 3.454 N/A LYS 214.A NZ ASP 331.A OD2 no hydrogen 3.211 N/A ALA 215.A N HIS 212.A O no hydrogen 3.118 N/A GLY 216.A N HIS 212.A O no hydrogen 3.191 N/A ASN 217.A ND2 ASP 168.A OD1 no hydrogen 2.487 N/A SER 219.A N ALA 215.A O no hydrogen 3.478 N/A SER 219.A OG ALA 215.A O no hydrogen 3.182 N/A SER 219.A OG GLY 216.A O no hydrogen 3.425 N/A ALA 220.A N GLY 216.A O no hydrogen 3.303 N/A ALA 221.A N ASN 217.A O no hydrogen 3.152 N/A LEU 222.A N MET 218.A O no hydrogen 2.816 N/A LEU 225.A N LEU 222.A O no hydrogen 3.021 N/A GLU 228.A N THR 129.A OG1 no hydrogen 3.217 N/A LEU 229.A N THR 129.A O no hydrogen 3.199 N/A VAL 230.A N LEU 312.A O no hydrogen 2.859 N/A VAL 231.A N ASP 131.A O no hydrogen 2.654 N/A VAL 232.A N ALA 310.A O no hydrogen 3.157 N/A PHE 233.A N LEU 133.A O no hydrogen 3.185 N/A ASP 234.A N SER 308.A OG no hydrogen 2.839 N/A HIS 237.A N ASP 234.A O no hydrogen 2.986 N/A VAL 238.A N ALA 354.A O no hydrogen 3.285 N/A SER 240.A N MET 352.A O no hydrogen 2.524 N/A SER 240.A OG ASP 242.A OD1 no hydrogen 2.657 N/A SER 240.A OG GLY 672.A O no hydrogen 2.692 N/A ARG 241.A N GLY 672.A O no hydrogen 3.322 N/A ARG 241.A NE ASN 153.A O no hydrogen 3.078 N/A ARG 241.A NH2 ASN 153.A O no hydrogen 3.388 N/A PHE 243.A N SER 240.A O no hydrogen 3.366 N/A ARG 246.A N ASP 242.A O no hydrogen 3.338 N/A THR 247.A N LEU 244.A O no hydrogen 3.215 N/A THR 247.A OG1 PHE 243.A O no hydrogen 2.644 N/A THR 247.A OG1 LEU 244.A O no hydrogen 3.086 N/A VAL 248.A N LEU 244.A O no hydrogen 3.128 N/A TYR 250.A N THR 247.A O no hydrogen 3.037 N/A TYR 250.A OH PRO 117.A O no hydrogen 2.608 N/A PHE 251.A N VAL 248.A O no hydrogen 2.968 N/A ASP 254.A N TYR 250.A O no hydrogen 3.454 N/A PHE 258.A N LYS 344.A O no hydrogen 2.900 N/A VAL 260.A N VAL 311.A O no hydrogen 2.921 N/A GLN 261.A N LEU 346.A O no hydrogen 2.817 N/A GLN 261.A NE2 THR 262.A O no hydrogen 2.693 N/A GLN 261.A NE2 SER 308.A O no hydrogen 2.909 N/A THR 262.A N ALA 309.A O no hydrogen 2.646 N/A ILE 267.A N GLY 355.A O no hydrogen 3.035 N/A ASN 268.A ND2 GLN 357.A O no hydrogen 2.705 N/A GLN 273.A N ASP 270.A O no hydrogen 3.187 N/A GLN 273.A N ASP 270.A OD1 no hydrogen 3.045 N/A GLN 273.A NE2 GLY 279.A O no hydrogen 3.012 N/A GLN 273.A NE2 CYS 282.A O no hydrogen 3.155 N/A ARG 274.A N ASP 270.A O no hydrogen 2.924 N/A ARG 274.A NH1 LYS 557.A O no hydrogen 3.135 N/A ARG 274.A NH2 GLN 558.A O no hydrogen 2.779 N/A ASN 275.A N PRO 271.A O no hydrogen 2.718 N/A ASN 275.A ND2 ALA 553.A O no hydrogen 2.988 N/A ALA 277.A N ARG 274.A O no hydrogen 3.155 N/A LEU 278.A N GLN 273.A O no hydrogen 3.179 N/A CYS 282.A SG PRO 283.A O no hydrogen 3.728 N/A GLU 287.A N PRO 284.A O no hydrogen 3.010 N/A MET 288.A N GLU 285.A O no hydrogen 2.961 N/A TYR 290.A N ASN 286.A O no hydrogen 3.245 N/A GLY 291.A N GLU 287.A O no hydrogen 2.708 N/A LYS 292.A N MET 288.A O no hydrogen 3.477 N/A ILE 293.A N MET 288.A O no hydrogen 3.413 N/A HIS 294.A N PHE 289.A O no hydrogen 2.690 N/A HIS 294.A ND1 HIS 294.A O no hydrogen 2.797 N/A GLY 296.A N LYS 292.A O no hydrogen 2.707 N/A GLY 296.A N ILE 293.A O no hydrogen 3.132 N/A LEU 297.A N ILE 293.A O no hydrogen 2.713 N/A ASP 298.A N HIS 294.A O no hydrogen 3.302 N/A ARG 299.A N GLY 296.A O no hydrogen 3.347 N/A ARG 299.A NE ASP 112.A OD2 no hydrogen 2.695 N/A GLY 301.A N ASP 298.A O no hydrogen 2.877 N/A GLY 302.A N LEU 297.A O no hydrogen 3.078 N/A CYS 306.A N GLN 261.A OE1 no hydrogen 3.150 N/A CYS 306.A SG TYR 290.A OH no hydrogen 3.755 N/A CYS 306.A SG PHE 304.A O no hydrogen 3.809 N/A SER 308.A OG GLY 307.A O no hydrogen 3.031 N/A VAL 311.A N VAL 260.A O no hydrogen 3.116 N/A LEU 312.A N VAL 230.A O no hydrogen 2.914 N/A ARG 313.A N PHE 258.A O no hydrogen 3.194 N/A ARG 313.A NE LEU 257.A O no hydrogen 3.477 N/A ARG 313.A NH1 PHE 251.A O no hydrogen 3.221 N/A ARG 313.A NH1 LEU 257.A O no hydrogen 3.302 N/A ARG 314.A N GLU 228.A O no hydrogen 2.659 N/A ARG 314.A NH2 LEU 222.A O no hydrogen 2.541 N/A LEU 317.A N ARG 313.A O no hydrogen 3.246 N/A ASP 318.A N ARG 314.A O no hydrogen 2.922 N/A GLU 319.A N ARG 315.A O no hydrogen 2.601 N/A ALA 320.A N ALA 316.A O no hydrogen 3.368 N/A GLY 322.A N LEU 317.A O no hydrogen 3.017 N/A THR 327.A OG1 GLN 377.A OE1 no hydrogen 2.516 N/A THR 329.A OG1 ASP 331.A OD1 no hydrogen 3.114 N/A ALA 332.A N ASP 331.A OD1 no hydrogen 2.524 N/A THR 334.A N GLU 330.A O no hydrogen 3.290 N/A THR 334.A OG1 ASP 331.A O no hydrogen 2.526 N/A ALA 335.A N ASP 331.A O no hydrogen 3.353 N/A LEU 336.A N GLU 333.A O no hydrogen 3.131 N/A ILE 338.A N THR 334.A O no hydrogen 3.406 N/A HIS 339.A N ALA 335.A O no hydrogen 2.947 N/A HIS 339.A NE2 GLY 301.A O no hydrogen 2.436 N/A SER 340.A N LEU 336.A O no hydrogen 2.723 N/A SER 340.A OG LEU 336.A O no hydrogen 3.523 N/A SER 340.A OG GLU 337.A O no hydrogen 3.194 N/A ARG 341.A N ILE 338.A O no hydrogen 2.972 N/A LYS 344.A N ASP 256.A O no hydrogen 2.730 N/A SER 345.A OG GLY 301.A O no hydrogen 2.654 N/A SER 345.A OG ALA 303.A O no hydrogen 3.226 N/A TYR 347.A N ASP 298.A OD2 no hydrogen 3.157 N/A TYR 347.A OH TYR 290.A O no hydrogen 2.861 N/A ALA 354.A N VAL 238.A O no hydrogen 3.377 N/A GLY 355.A N PHE 265.A O no hydrogen 2.859 N/A GLN 357.A N ASN 268.A OD1 no hydrogen 2.827 N/A PHE 361.A N GLU 556.A OE2 no hydrogen 3.038 N/A SER 363.A OG THR 360.A O no hydrogen 3.409 N/A PHE 364.A N THR 360.A O no hydrogen 3.236 N/A ILE 365.A N PHE 361.A O no hydrogen 3.180 N/A GLN 367.A N SER 363.A O no hydrogen 2.850 N/A ARG 368.A N PHE 364.A O no hydrogen 3.279 N/A GLY 369.A N ILE 365.A O no hydrogen 2.480 N/A ARG 370.A N GLN 366.A O no hydrogen 2.879 N/A ARG 370.A N GLN 367.A O no hydrogen 3.124 N/A TRP 371.A N GLN 367.A O no hydrogen 3.168 N/A ALA 372.A N ARG 368.A O no hydrogen 2.958 N/A THR 373.A N GLY 369.A O no hydrogen 3.121 N/A THR 373.A OG1 GLY 369.A O no hydrogen 2.800 N/A GLY 374.A N ARG 370.A O no hydrogen 2.755 N/A MET 375.A N TRP 371.A O no hydrogen 2.681 N/A MET 376.A N ALA 372.A O no hydrogen 2.762 N/A GLN 377.A N THR 373.A O no hydrogen 3.256 N/A GLN 377.A NE2 THR 482.A OG1 no hydrogen 3.027 N/A GLN 377.A NE2 ALA 489.A O no hydrogen 3.443 N/A MET 378.A N GLY 374.A O no hydrogen 3.211 N/A LEU 379.A N MET 376.A O no hydrogen 3.011 N/A LEU 380.A N GLN 377.A O no hydrogen 3.163 N/A LEU 381.A N GLN 377.A O no hydrogen 2.784 N/A LYS 382.A NZ GLU 333.A OE2 no hydrogen 3.447 N/A LYS 382.A NZ GLU 337.A OE1 no hydrogen 3.557 N/A ARG 387.A NH2 LYS 382.A O no hydrogen 3.005 N/A GLY 391.A N GLN 394.A OE1 no hydrogen 2.873 N/A ARG 395.A N GLY 391.A O no hydrogen 3.325 N/A CYS 397.A N ALA 393.A O no hydrogen 3.170 N/A CYS 397.A SG LEU 297.A O no hydrogen 3.752 N/A CYS 397.A SG ALA 393.A O no hydrogen 3.585 N/A TYR 398.A N GLN 394.A O no hydrogen 3.312 N/A LEU 399.A N ARG 395.A O no hydrogen 2.978 N/A ASN 400.A N LEU 396.A O no hydrogen 2.957 N/A SER 401.A N CYS 397.A O no hydrogen 3.397 N/A SER 401.A OG CYS 397.A O no hydrogen 3.030 N/A MET 402.A N TYR 398.A O no hydrogen 3.023 N/A SER 403.A N LEU 399.A O no hydrogen 2.621 N/A SER 403.A OG LEU 399.A O no hydrogen 2.617 N/A SER 403.A OG ASN 400.A O no hydrogen 3.148 N/A PHE 404.A N ASN 400.A O no hydrogen 3.204 N/A TRP 405.A N MET 402.A O no hydrogen 2.864 N/A PHE 406.A N SER 403.A O no hydrogen 3.033 N/A PHE 407.A N PHE 404.A O no hydrogen 3.172 N/A LEU 409.A N PHE 406.A O no hydrogen 3.052 N/A VAL 410.A N PHE 406.A O no hydrogen 3.346 N/A ARG 411.A N PHE 407.A O no hydrogen 3.086 N/A ARG 411.A NE GLU 468.A OE2 no hydrogen 2.963 N/A ARG 411.A NH2 GLU 468.A OE2 no hydrogen 3.198 N/A MET 413.A N LEU 409.A O no hydrogen 3.184 N/A PHE 414.A N VAL 410.A O no hydrogen 2.905 N/A LEU 415.A N ARG 411.A O no hydrogen 2.911 N/A VAL 416.A N MET 412.A O no hydrogen 3.288 N/A ILE 420.A N VAL 416.A O no hydrogen 3.012 N/A LEU 422.A N PRO 418.A O no hydrogen 3.179 N/A PHE 424.A N ILE 420.A O no hydrogen 3.005 N/A GLY 425.A N TYR 421.A O no hydrogen 2.760 N/A THR 432.A N GLU 435.A OE1 no hydrogen 2.617 N/A GLU 435.A N THR 432.A O no hydrogen 2.893 N/A VAL 436.A N THR 432.A O no hydrogen 3.317 N/A LEU 437.A N PHE 433.A O no hydrogen 3.325 N/A ALA 438.A N GLU 434.A O no hydrogen 3.112 N/A ALA 438.A N GLU 435.A O no hydrogen 3.186 N/A TYR 439.A N GLU 435.A O no hydrogen 3.226 N/A TYR 439.A N VAL 436.A O no hydrogen 2.941 N/A MET 440.A N VAL 436.A O no hydrogen 2.944 N/A TYR 443.A N TYR 439.A O no hydrogen 2.743 N/A LEU 444.A N MET 440.A O no hydrogen 2.822 N/A ALA 445.A N PRO 441.A O no hydrogen 2.918 N/A VAL 446.A N GLY 442.A O no hydrogen 3.274 N/A SER 447.A N TYR 443.A O no hydrogen 3.011 N/A PHE 448.A N LEU 444.A O no hydrogen 2.851 N/A LEU 449.A N ALA 445.A O no hydrogen 2.874 N/A VAL 450.A N VAL 446.A O no hydrogen 2.880 N/A ASN 452.A N PHE 448.A O no hydrogen 3.276 N/A ASN 452.A ND2 ILE 688.A O no hydrogen 3.230 N/A ALA 453.A N LEU 449.A O no hydrogen 2.850 N/A LEU 454.A N VAL 450.A O no hydrogen 2.831 N/A PHE 455.A N GLN 451.A O no hydrogen 3.109 N/A ALA 456.A N ASN 452.A O no hydrogen 3.078 N/A ARG 459.A N PHE 455.A O no hydrogen 2.616 N/A ARG 459.A NH2 GLU 285.A O no hydrogen 3.457 N/A GLU 465.A N GLU 465.A OE1 no hydrogen 2.441 N/A VAL 466.A N LEU 462.A O no hydrogen 3.360 N/A TYR 467.A N VAL 463.A O no hydrogen 3.022 N/A GLU 468.A N SER 464.A O no hydrogen 2.860 N/A VAL 469.A N GLU 465.A O no hydrogen 2.859 N/A ALA 470.A N VAL 466.A O no hydrogen 2.908 N/A GLN 471.A N TYR 467.A O no hydrogen 3.088 N/A ALA 472.A N VAL 469.A O no hydrogen 3.161 N/A TYR 474.A N GLN 471.A O no hydrogen 3.291 N/A TYR 474.A OH ILE 501.A O no hydrogen 2.940 N/A LEU 475.A N GLN 471.A O no hydrogen 3.146 N/A ALA 476.A N ALA 472.A O no hydrogen 2.838 N/A ILE 479.A N ALA 476.A O no hydrogen 3.049 N/A VAL 480.A N ALA 476.A O no hydrogen 3.207 N/A LEU 483.A N VAL 480.A O no hydrogen 3.034 N/A LEU 484.A N VAL 480.A O no hydrogen 3.153 N/A ARG 485.A N THR 481.A O no hydrogen 3.396 N/A SER 488.A OG ARG 485.A O no hydrogen 2.744 N/A ALA 489.A N ARG 485.A O no hydrogen 3.361 N/A SER 494.A N GLN 559.A O no hydrogen 3.057 N/A SER 494.A OG LEU 493.A O no hydrogen 2.496 N/A ILE 498.A N GLU 715.A OE1 no hydrogen 3.114 N/A SER 499.A N VAL 554.A O no hydrogen 3.064 N/A TYR 502.A N SER 499.A O no hydrogen 3.202 N/A LEU 506.A N TYR 502.A O no hydrogen 3.001 N/A PHE 507.A N ARG 503.A O no hydrogen 3.165 N/A THR 508.A N PRO 504.A O no hydrogen 3.310 N/A THR 508.A OG1 PRO 504.A O no hydrogen 2.569 N/A PHE 509.A N LEU 506.A O no hydrogen 3.149 N/A LEU 510.A N LEU 506.A O no hydrogen 3.067 N/A LEU 511.A N PHE 507.A O no hydrogen 2.822 N/A CYS 512.A N PHE 509.A O no hydrogen 2.742 N/A CYS 512.A SG THR 508.A O no hydrogen 3.526 N/A LEU 513.A N PHE 509.A O no hydrogen 3.153 N/A SER 514.A N LEU 510.A O no hydrogen 2.698 N/A SER 514.A OG LEU 510.A O no hydrogen 3.293 N/A SER 514.A OG LEU 511.A O no hydrogen 2.698 N/A VAL 516.A N CYS 512.A O no hydrogen 2.993 N/A VAL 516.A N LEU 513.A O no hydrogen 2.947 N/A LEU 517.A N LEU 513.A O no hydrogen 2.972 N/A ALA 518.A N SER 514.A O no hydrogen 3.129 N/A THR 519.A N GLY 515.A O no hydrogen 3.332 N/A THR 519.A N VAL 516.A O no hydrogen 3.165 N/A THR 519.A OG1 VAL 516.A O no hydrogen 2.411 N/A LEU 520.A N VAL 516.A O no hydrogen 3.267 N/A VAL 521.A N LEU 517.A O no hydrogen 3.087 N/A ARG 522.A N ALA 518.A O no hydrogen 3.007 N/A ARG 522.A NH1 TYR 421.A O no hydrogen 2.619 N/A ARG 522.A NH2 PHE 423.A O no hydrogen 3.370 N/A VAL 524.A N LEU 520.A O no hydrogen 3.482 N/A PHE 526.A N ARG 522.A O no hydrogen 3.191 N/A ASP 529.A N PHE 526.A O no hydrogen 3.189 N/A VAL 532.A N ASP 529.A O no hydrogen 3.185 N/A LEU 533.A N ASP 529.A O no hydrogen 3.105 N/A LEU 534.A N ARG 530.A O no hydrogen 3.294 N/A VAL 536.A N VAL 532.A O no hydrogen 2.902 N/A TRP 539.A N VAL 535.A O no hydrogen 3.368 N/A ALA 540.A N VAL 536.A O no hydrogen 2.952 N/A VAL 541.A N GLY 537.A O no hydrogen 3.086 N/A LEU 542.A N GLY 538.A O no hydrogen 3.326 N/A ASN 543.A N TRP 539.A O no hydrogen 2.852 N/A ASN 543.A ND2 PHE 414.A O no hydrogen 3.343 N/A ASN 543.A ND2 LEU 415.A O no hydrogen 3.589 N/A VAL 544.A N ALA 540.A O no hydrogen 3.123 N/A LEU 545.A N VAL 541.A O no hydrogen 3.186 N/A LEU 546.A N LEU 542.A O no hydrogen 3.202 N/A VAL 547.A N ASN 543.A O no hydrogen 3.000 N/A GLY 548.A N VAL 544.A O no hydrogen 2.996 N/A PHE 549.A N LEU 545.A O no hydrogen 2.964 N/A ALA 550.A N LEU 546.A O no hydrogen 2.660 N/A LEU 551.A N GLY 548.A O no hydrogen 3.252 N/A ARG 552.A N PHE 549.A O no hydrogen 3.027 N/A VAL 554.A N LEU 551.A O no hydrogen 3.259 N/A ALA 555.A N ARG 552.A O no hydrogen 3.283 N/A GLU 556.A N TYR 497.A O no hydrogen 3.179 N/A LYS 557.A NZ ASN 275.A O no hydrogen 3.190 N/A GLN 559.A NE2 GLU 359.A OE1 no hydrogen 2.639 N/A ARG 561.A N GLN 559.A OE1 no hydrogen 3.274 N/A VAL 566.A N ALA 591.A O no hydrogen 3.311 N/A MET 568.A N LEU 589.A O no hydrogen 2.654 N/A VAL 570.A N VAL 588.A O no hydrogen 3.233 N/A ALA 572.A N ALA 586.A O no hydrogen 3.134 N/A GLU 573.A N GLN 621.A O no hydrogen 3.328 N/A ALA 574.A N LEU 584.A O no hydrogen 2.950 N/A GLN 575.A N GLN 619.A O no hydrogen 2.664 N/A GLY 580.A N PRO 577.A O no hydrogen 3.013 N/A LEU 584.A N ALA 574.A O no hydrogen 2.947 N/A ALA 586.A N ALA 572.A O no hydrogen 3.132 N/A THR 587.A N LEU 599.A O no hydrogen 2.951 N/A VAL 588.A N VAL 570.A O no hydrogen 2.850 N/A LEU 589.A N ARG 597.A O no hydrogen 2.980 N/A ALA 591.A N VAL 566.A O no hydrogen 2.974 N/A SER 592.A N GLY 595.A O no hydrogen 2.928 N/A SER 592.A OG GLY 595.A O no hydrogen 3.545 N/A SER 594.A N SER 592.A OG no hydrogen 3.140 N/A GLY 595.A N SER 592.A OG no hydrogen 3.150 N/A VAL 596.A N VAL 652.A O no hydrogen 3.103 N/A ARG 597.A N ASP 590.A O no hydrogen 2.727 N/A LEU 598.A N VAL 650.A O no hydrogen 2.792 N/A LEU 599.A N THR 587.A O no hydrogen 3.018 N/A VAL 600.A N VAL 648.A O no hydrogen 3.384 N/A ARG 601.A N THR 585.A O no hydrogen 2.967 N/A LEU 602.A N GLY 646.A O no hydrogen 3.274 N/A GLY 615.A N ILE 638.A O no hydrogen 3.347 N/A ILE 618.A N GLY 636.A O no hydrogen 3.320 N/A GLN 619.A N GLN 575.A O no hydrogen 3.344 N/A GLN 619.A NE2 GLN 575.A OE1 no hydrogen 3.001 N/A PHE 620.A N VAL 634.A O no hydrogen 2.929 N/A GLN 621.A N GLU 573.A O no hydrogen 3.044 N/A GLN 621.A NE2 GLU 631.A OE2 no hydrogen 2.456 N/A LYS 623.A N PRO 571.A O no hydrogen 2.967 N/A PHE 624.A N GLU 631.A OE1 no hydrogen 3.163 N/A GLN 629.A N GLN 629.A OE1 no hydrogen 2.656 N/A LEU 630.A N ALA 627.A O no hydrogen 3.177 N/A GLU 631.A N PRO 628.A O no hydrogen 3.151 N/A VAL 634.A N PHE 620.A O no hydrogen 2.820 N/A ARG 635.A N GLN 658.A OE1 no hydrogen 3.379 N/A ARG 635.A NE GLU 655.A OE1 no hydrogen 2.811 N/A ARG 635.A NH2 GLU 655.A OE1 no hydrogen 3.179 N/A ARG 635.A NH2 GLU 655.A OE2 no hydrogen 3.257 N/A GLY 636.A N ILE 618.A O no hydrogen 2.993 N/A ARG 637.A N ILE 653.A O no hydrogen 2.828 N/A ARG 637.A NH1 GLY 636.A O no hydrogen 3.362 N/A ILE 638.A N GLY 616.A O no hydrogen 3.209 N/A ARG 639.A N GLY 651.A O no hydrogen 2.977 N/A ARG 642.A N MET 649.A O no hydrogen 3.280 N/A ARG 642.A NH1 GLU 644.A OE1 no hydrogen 2.728 N/A GLU 644.A N THR 647.A O no hydrogen 3.094 N/A THR 647.A N GLU 644.A O no hydrogen 3.337 N/A THR 647.A OG1 GLU 644.A O no hydrogen 3.048 N/A MET 649.A N ARG 642.A O no hydrogen 2.905 N/A VAL 650.A N LEU 598.A O no hydrogen 3.006 N/A GLY 651.A N SER 640.A OG no hydrogen 2.741 N/A VAL 652.A N VAL 596.A O no hydrogen 2.868 N/A ILE 653.A N ARG 637.A O no hydrogen 2.924 N/A PHE 654.A N SER 594.A O no hydrogen 3.509 N/A GLU 655.A N ARG 635.A O no hydrogen 2.911 N/A GLN 658.A NE2 ARG 635.A O no hydrogen 2.664 N/A GLN 658.A NE2 GLU 655.A O no hydrogen 2.688 N/A VAL 662.A N PRO 659.A O no hydrogen 2.941 N/A ARG 663.A NH2 ASP 142.A O no hydrogen 3.265 N/A GLU 664.A N ILE 660.A O no hydrogen 3.296 N/A GLU 664.A N ALA 661.A O no hydrogen 3.239 N/A THR 665.A N ALA 661.A O no hydrogen 3.206 N/A THR 665.A OG1 VAL 662.A O no hydrogen 2.413 N/A VAL 666.A N VAL 662.A O no hydrogen 3.152 N/A ALA 667.A N ARG 663.A O no hydrogen 3.256 N/A TYR 668.A N GLU 664.A O no hydrogen 3.220 N/A TYR 668.A OH GLU 673.A OE2 no hydrogen 3.094 N/A LEU 669.A N THR 665.A O no hydrogen 2.667 N/A ILE 670.A N VAL 666.A O no hydrogen 3.256 N/A PHE 671.A N ALA 667.A O no hydrogen 3.032 N/A GLY 672.A N TYR 668.A O no hydrogen 2.861 N/A SER 674.A OG ASP 242.A OD1 no hydrogen 3.243 N/A SER 674.A OG ASP 242.A OD2 no hydrogen 2.258 N/A HIS 676.A ND1 HIS 676.A O no hydrogen 2.615 N/A ARG 678.A N SER 674.A O no hydrogen 3.171 N/A THR 679.A N ALA 675.A O no hydrogen 3.037 N/A THR 679.A OG1 ALA 675.A O no hydrogen 2.833 N/A MET 680.A N HIS 676.A O no hydrogen 3.411 N/A ARG 681.A N TRP 677.A O no hydrogen 2.927 N/A ARG 681.A NE GLU 287.A OE1 no hydrogen 3.281 N/A ARG 681.A NE GLU 287.A OE2 no hydrogen 3.270 N/A ARG 681.A NH1 ASP 349.A OD1 no hydrogen 2.872 N/A ARG 681.A NH2 GLU 287.A OE2 no hydrogen 2.949 N/A ARG 681.A NH2 ASP 349.A OD1 no hydrogen 3.063 N/A ARG 681.A NH2 ASP 349.A OD2 no hydrogen 3.408 N/A GLU 682.A N ARG 678.A O no hydrogen 3.242 N/A THR 684.A N ARG 681.A O no hydrogen 2.996 N/A THR 684.A OG1 ARG 681.A O no hydrogen 2.969 N/A GLY 693.A N GLY 689.A O no hydrogen 3.049 N/A GLY 693.A N LEU 690.A O no hydrogen 2.927 N/A MET 694.A N LEU 690.A O no hydrogen 3.123 N/A ALA 695.A N LEU 691.A O no hydrogen 2.672 N/A ARG 696.A N HIS 692.A O no hydrogen 3.076 N/A ARG 696.A NH2 LEU 278.A O no hydrogen 3.487 N/A ILE 697.A N GLY 693.A O no hydrogen 2.840 N/A LEU 698.A N MET 694.A O no hydrogen 3.048 N/A TRP 699.A N ALA 695.A O no hydrogen 2.835 N/A MET 700.A N ARG 696.A O no hydrogen 2.970 N/A ALA 701.A N ILE 697.A O no hydrogen 2.761 N/A ALA 702.A N LEU 698.A O no hydrogen 2.914 N/A ALA 703.A N TRP 699.A O no hydrogen 3.220 N/A SER 704.A N MET 700.A O no hydrogen 2.824 N/A SER 704.A OG ALA 701.A O no hydrogen 2.629 N/A LEU 705.A N ALA 702.A O no hydrogen 3.278 N/A THR 708.A N SER 704.A O no hydrogen 2.832 N/A THR 708.A OG1 SER 704.A O no hydrogen 2.798 N/A ALA 709.A N LEU 705.A O no hydrogen 2.750 N/A ARG 710.A N PRO 706.A O no hydrogen 3.348 N/A ASP 711.A N LYS 707.A O no hydrogen 3.054 N/A PHE 712.A N THR 708.A O no hydrogen 3.121 N/A MET 713.A N ALA 709.A O no hydrogen 3.472 N/A ASP 714.A N ARG 710.A O no hydrogen 3.060 N/A ASP 714.A N ASP 711.A O no hydrogen 3.284 N/A GLU 715.A N ASP 711.A O no hydrogen 3.192 N/A ALA 717.A N ASP 714.A O no hydrogen 3.142 N/A ARG 718.A N ASP 714.A O no hydrogen 3.477 N/A ARG 718.A NE GLU 495.A OE1 no hydrogen 3.178 N/A ARG 718.A NH1 GLU 495.A OE1 no hydrogen 3.040 N/A ARG 718.A NH2 GLU 715.A OE1 no hydrogen 3.331 N/A ARG 719.A N GLU 715.A O no hydrogen 2.724 N/A ARG 719.A NH2 TYR 502.A OH no hydrogen 3.506 N/A