Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nne_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N VAL 219.A O no hydrogen 2.826 N/A MET 1.A N PHE 224.A O no hydrogen 3.041 N/A HIS 2.A ND1 LEU 226.A O no hydrogen 3.000 N/A ILE 3.A N LEU 226.A O no hydrogen 2.833 N/A GLU 7.A N ASN 5.A OD1 no hydrogen 3.075 N/A ASN 8.A N ASN 5.A O no hydrogen 3.068 N/A LEU 9.A N ILE 6.A O no hydrogen 3.037 N/A ARG 12.A NE LEU 9.A O no hydrogen 2.995 N/A GLU 13.A N ASP 11.A OD1 no hydrogen 3.440 N/A PHE 14.A N THR 260.A O no hydrogen 2.999 N/A ASP 15.A N SER 39.A OG no hydrogen 3.067 N/A TYR 16.A N SER 39.A O no hydrogen 3.193 N/A ILE 17.A N GLU 264.A O no hydrogen 3.028 N/A VAL 18.A N ALA 41.A O no hydrogen 2.739 N/A VAL 19.A N VAL 266.A O no hydrogen 2.801 N/A GLY 20.A N VAL 43.A O no hydrogen 2.645 N/A GLY 21.A N GLU 44.A OE1 no hydrogen 3.008 N/A ALA 26.A N GLY 22.A O no hydrogen 3.430 N/A VAL 28.A N ALA 24.A O no hydrogen 2.924 N/A ALA 29.A N GLY 25.A O no hydrogen 2.802 N/A ALA 30.A N ALA 26.A O no hydrogen 2.656 N/A ARG 31.A N ALA 27.A O no hydrogen 2.903 N/A ARG 31.A NE GLU 520.A OE1 no hydrogen 2.860 N/A ARG 31.A NE GLU 520.A OE2 no hydrogen 3.275 N/A ARG 31.A NH1 GLU 34.A OE2 no hydrogen 2.860 N/A ARG 31.A NH2 GLU 520.A OE2 no hydrogen 3.438 N/A LEU 32.A N VAL 28.A O no hydrogen 2.886 N/A SER 33.A N ALA 29.A O no hydrogen 2.947 N/A SER 33.A OG ALA 30.A O no hydrogen 2.742 N/A GLU 34.A N ARG 31.A O no hydrogen 2.984 N/A ALA 37.A N ASP 35.A OD1 no hydrogen 3.269 N/A SER 39.A N ASP 15.A OD2 no hydrogen 2.439 N/A SER 39.A OG ASP 15.A OD2 no hydrogen 2.692 N/A VAL 40.A N ASN 223.A O no hydrogen 2.808 N/A ALA 41.A N TYR 16.A O no hydrogen 2.968 N/A LEU 42.A N THR 225.A O no hydrogen 3.010 N/A VAL 43.A N VAL 18.A O no hydrogen 2.800 N/A GLU 44.A N LEU 227.A O no hydrogen 2.948 N/A GLY 46.A N GLU 44.A OE2 no hydrogen 2.908 N/A ARG 50.A N ASP 48.A OD2 no hydrogen 3.392 N/A ARG 50.A NE ASP 48.A OD1 no hydrogen 2.949 N/A ARG 50.A NH2 ASP 48.A OD1 no hydrogen 3.001 N/A VAL 52.A N ASP 49.A O no hydrogen 3.164 N/A GLN 57.A N PRO 53.A O no hydrogen 3.212 N/A LEU 58.A N GLY 205.A O no hydrogen 3.242 N/A ARG 60.A N GLN 57.A O no hydrogen 3.391 N/A ARG 60.A NH1 GLU 63.A OE1 no hydrogen 3.260 N/A TRP 61.A N LEU 58.A O no hydrogen 3.001 N/A TRP 61.A NE1 GLN 329.A O no hydrogen 3.151 N/A GLU 63.A N ARG 60.A O no hydrogen 2.914 N/A LEU 64.A N TRP 61.A O no hydrogen 3.059 N/A GLU 66.A N ASP 70.A OD1 no hydrogen 3.167 N/A SER 67.A N LEU 64.A O no hydrogen 2.912 N/A SER 67.A OG LEU 64.A O no hydrogen 2.568 N/A TYR 69.A N SER 67.A OG no hydrogen 3.417 N/A ASP 70.A N SER 67.A O no hydrogen 3.092 N/A TRP 71.A N ARG 89.A O no hydrogen 2.656 N/A ASP 72.A N ASP 70.A OD2 no hydrogen 2.442 N/A TYR 73.A N HIS 87.A O no hydrogen 3.333 N/A TYR 73.A OH ASP 273.A OD2 no hydrogen 2.449 N/A ILE 75.A N MET 85.A O no hydrogen 3.214 N/A GLU 76.A N VAL 401.A O no hydrogen 2.748 N/A GLN 78.A N SER 83.A OG no hydrogen 2.946 N/A GLN 78.A NE2 GLU 76.A O no hydrogen 2.788 N/A GLN 78.A NE2 ASP 402.A OD2 no hydrogen 2.926 N/A ASN 80.A ND2 PHE 406.A O no hydrogen 2.981 N/A ASN 82.A N HIS 461.A NE2 no hydrogen 3.076 N/A ASN 82.A ND2 ASN 360.A OD1 no hydrogen 3.025 N/A ASN 82.A ND2 HIS 461.A O no hydrogen 2.932 N/A PHE 84.A N ASN 82.A OD1 no hydrogen 3.055 N/A MET 85.A N ASN 82.A O no hydrogen 3.236 N/A ARG 86.A NH1 ASP 72.A OD1 no hydrogen 3.072 N/A HIS 87.A N TYR 73.A O no hydrogen 2.637 N/A HIS 87.A NE2.B ASP 309.A OD2 no hydrogen 2.762 N/A ARG 89.A N ASP 70.A OD2 no hydrogen 2.849 N/A ARG 89.A NE ALA 88.A O no hydrogen 2.745 N/A ARG 89.A NH2 TYR 465.A O no hydrogen 2.925 N/A LYS 91.A N TYR 69.A O no hydrogen 2.525 N/A VAL 92.A N GLU 44.A OE2 no hydrogen 3.317 N/A MET 93.A N PRO 47.A O no hydrogen 3.149 N/A GLY 94.A N GLY 21.A O no hydrogen 2.518 N/A GLY 95.A N VAL 92.A O no hydrogen 2.968 N/A CYS 96.A SG HIS 99.A NE2 no hydrogen 3.682 N/A SER 97.A OG GLY 94.A O no hydrogen 2.611 N/A SER 97.A OG SER 210.A OG no hydrogen 3.321 N/A SER 98.A N GLY 95.A O no hydrogen 2.899 N/A SER 98.A OG MET 93.A O no hydrogen 2.549 N/A HIS 99.A N CYS 96.A O no hydrogen 2.873 N/A ASN 100.A N CYS 96.A O no hydrogen 2.808 N/A CYS 102.A N ASN 100.A OD1 no hydrogen 2.832 N/A CYS 102.A SG ASN 100.A OD1 no hydrogen 3.592 N/A CYS 102.A SG ASN 200.A O no hydrogen 3.122 N/A CYS 102.A SG ASN 200.A OD1 no hydrogen 3.818 N/A ALA 104.A N GLN 198.A O no hydrogen 3.182 N/A TRP 106.A N ASN 185.A OD1 no hydrogen 2.612 N/A TRP 106.A NE1 GLU 137.A OE2 no hydrogen 3.326 N/A ALA 107.A N TYR 133.A OH no hydrogen 2.993 N/A ARG 109.A NE GLY 187.A O no hydrogen 3.288 N/A ARG 109.A NH2 GLY 187.A O no hydrogen 3.059 N/A GLU 110.A N GLU 110.A OE1 no hydrogen 2.896 N/A ASP 111.A N PRO 108.A O no hydrogen 3.056 N/A ASP 113.A N ARG 109.A O no hydrogen 2.975 N/A TRP 115.A N LEU 112.A O no hydrogen 3.138 N/A ALA 117.A N ASP 113.A O no hydrogen 3.126 N/A LYS 118.A N GLU 114.A O no hydrogen 2.798 N/A TYR 119.A N GLU 114.A O no hydrogen 2.947 N/A GLY 120.A N GLU 116.A O no hydrogen 3.250 N/A ALA 121.A N TRP 115.A O no hydrogen 2.840 N/A THR 122.A N GLY 120.A O no hydrogen 2.713 N/A THR 122.A OG1 GLY 120.A O no hydrogen 3.522 N/A GLY 123.A N GLU 116.A OE2 no hydrogen 3.314 N/A TRP 124.A N ALA 121.A O no hydrogen 2.781 N/A TRP 124.A NE1 PRO 485.A O no hydrogen 2.731 N/A ASN 125.A ND2 GLU 116.A OE1 no hydrogen 2.545 N/A ALA 126.A N ASP 113.A OD1 no hydrogen 2.802 N/A ALA 128.A N ASN 125.A OD1 no hydrogen 3.296 N/A ALA 129.A N ASN 125.A O no hydrogen 3.143 N/A TRP 130.A N ALA 126.A O no hydrogen 2.857 N/A TYR 133.A N ALA 129.A O no hydrogen 2.851 N/A TYR 133.A OH THR 514.A OG1 no hydrogen 2.854 N/A LYS 134.A N TRP 130.A O no hydrogen 3.202 N/A ARG 135.A N PRO 131.A O no hydrogen 3.049 N/A ARG 135.A NE GLU 520.A OE1 no hydrogen 2.752 N/A ARG 135.A NH1 ASP 524.A OD2 no hydrogen 3.253 N/A ARG 135.A NH2 GLU 520.A OE1 no hydrogen 2.556 N/A ARG 135.A NH2 ASP 524.A OD2 no hydrogen 3.325 N/A LEU 136.A N LEU 132.A O no hydrogen 2.858 N/A THR 138.A N VAL 155.A O no hydrogen 2.901 N/A THR 138.A OG1 ASP 151.A O no hydrogen 3.402 N/A THR 138.A OG1 GLY 153.A O no hydrogen 2.436 N/A ASN 139.A N GLY 150.A O no hydrogen 3.067 N/A ASN 139.A ND2 GLU 137.A OE2 no hydrogen 3.239 N/A ASN 139.A ND2 GLN 198.A OE1 no hydrogen 2.686 N/A GLU 140.A N LEU 157.A O no hydrogen 3.164 N/A ASP 141.A N ASN 139.A OD1 no hydrogen 2.374 N/A ALA 142.A N ASN 139.A O no hydrogen 2.941 N/A ALA 146.A N GLY 143.A O no hydrogen 3.260 N/A HIS 148.A NE2 ASN 185.A O no hydrogen 2.717 N/A HIS 149.A N ALA 146.A O no hydrogen 2.947 N/A HIS 149.A ND1 GLU 137.A OE1 no hydrogen 2.527 N/A GLY 150.A N GLU 137.A OE1 no hydrogen 3.107 N/A GLY 153.A N GLU 137.A O no hydrogen 2.947 N/A VAL 155.A N LEU 136.A O no hydrogen 2.734 N/A LEU 157.A N THR 138.A O no hydrogen 2.940 N/A MET 158.A N ILE 199.A O no hydrogen 2.900 N/A ASN 159.A N GLU 140.A OE1 no hydrogen 3.229 N/A ASN 159.A ND2 GLU 140.A OE1 no hydrogen 2.917 N/A ASN 159.A ND2 ASP 141.A OD1 no hydrogen 3.074 N/A VAL 160.A N PHE 197.A O no hydrogen 3.195 N/A LYS 163.A N PRO 161.A O no hydrogen 2.780 N/A THR 166.A N ASP 164.A OD1 no hydrogen 3.084 N/A THR 166.A OG1 ASP 164.A OD1 no hydrogen 3.249 N/A VAL 168.A N ASP 164.A O no hydrogen 2.826 N/A ALA 169.A N PRO 165.A O no hydrogen 3.264 N/A LEU 170.A N THR 166.A O no hydrogen 2.872 N/A LEU 171.A N GLY 167.A O no hydrogen 3.051 N/A ASP 172.A N VAL 168.A O no hydrogen 3.043 N/A ALA 173.A N ALA 169.A O no hydrogen 2.744 N/A CYS 174.A N LEU 170.A O no hydrogen 2.754 N/A CYS 174.A SG LEU 170.A O no hydrogen 3.323 N/A GLU 175.A N LEU 171.A O no hydrogen 2.830 N/A GLN 176.A N ASP 172.A O no hydrogen 3.241 N/A ALA 177.A N CYS 174.A O no hydrogen 2.929 N/A GLY 178.A N GLU 175.A O no hydrogen 3.033 N/A ILE 179.A N CYS 174.A O no hydrogen 2.987 N/A ARG 181.A NH1 ASP 172.A OD1 no hydrogen 3.255 N/A ARG 181.A NH2 ASP 172.A OD1 no hydrogen 3.216 N/A ALA 182.A N ALA 194.A O no hydrogen 3.171 N/A ASN 185.A ND2 ALA 104.A O no hydrogen 2.978 N/A ASN 185.A ND2 GLN 198.A OE1 no hydrogen 3.169 N/A THR 188.A N THR 186.A OG1 no hydrogen 3.140 N/A THR 189.A OG1 GLU 110.A OE1 no hydrogen 2.525 N/A THR 189.A OG1 GLU 110.A OE2 no hydrogen 3.383 N/A ASN 192.A ND2 GLY 178.A O no hydrogen 2.395 N/A GLY 193.A N PHE 336.A O no hydrogen 2.907 N/A ALA 194.A N PRO 180.A O no hydrogen 2.908 N/A ASN 195.A N GLY 334.A O no hydrogen 3.230 N/A ASN 195.A ND2 ALA 182.A O no hydrogen 3.032 N/A PHE 196.A N ASN 195.A OD1 no hydrogen 2.864 N/A PHE 197.A N GLU 332.A O no hydrogen 2.814 N/A GLN 198.A NE2 ASN 139.A OD1 no hydrogen 3.377 N/A GLN 198.A NE2 ASN 159.A OD1 no hydrogen 3.025 N/A ILE 199.A N MET 158.A O no hydrogen 2.864 N/A ASN 200.A N CYS 102.A O no hydrogen 2.792 N/A ASN 200.A ND2 SER 208.A O no hydrogen 2.966 N/A ARG 201.A NE ARG 202.A O no hydrogen 3.124 N/A ARG 202.A N THR 206.A O no hydrogen 2.974 N/A ARG 202.A NE HIS 156.A ND1 no hydrogen 2.953 N/A ARG 202.A NH2 PRO 154.A O no hydrogen 3.482 N/A GLY 205.A N ARG 202.A O no hydrogen 3.451 N/A THR 206.A N ASP 204.A OD1 no hydrogen 2.919 N/A THR 206.A OG1 ASP 204.A OD1 no hydrogen 3.247 N/A ARG 207.A N LEU 56.A O no hydrogen 2.830 N/A ARG 207.A NE VAL 55.A O no hydrogen 2.867 N/A ARG 207.A NH1 SER 97.A O no hydrogen 2.908 N/A ARG 207.A NH1 ASN 100.A O no hydrogen 3.151 N/A ARG 207.A NH1 ASN 100.A OD1 no hydrogen 3.142 N/A ARG 207.A NH2 ASN 100.A O no hydrogen 2.823 N/A SER 208.A N ASN 200.A O no hydrogen 3.102 N/A SER 208.A OG HIS 156.A O no hydrogen 3.055 N/A SER 209.A OG SER 211.A OG no hydrogen 3.160 N/A SER 210.A N SER 97.A OG no hydrogen 2.980 N/A SER 210.A OG GLY 22.A O no hydrogen 2.516 N/A SER 210.A OG SER 97.A OG no hydrogen 3.321 N/A SER 211.A OG ASP 49.A OD1 no hydrogen 2.626 N/A SER 211.A OG MET 93.A O no hydrogen 3.299 N/A SER 211.A OG SER 209.A OG no hydrogen 3.160 N/A VAL 212.A N SER 209.A OG no hydrogen 3.266 N/A SER 213.A N SER 209.A O no hydrogen 2.554 N/A SER 213.A OG PRO 154.A O no hydrogen 3.330 N/A SER 213.A OG SER 208.A O no hydrogen 3.092 N/A SER 213.A OG SER 209.A O no hydrogen 2.873 N/A TYR 214.A N SER 210.A O no hydrogen 2.868 N/A TYR 214.A OH GLU 520.A OE2 no hydrogen 2.362 N/A ILE 215.A N SER 211.A O no hydrogen 3.073 N/A HIS 216.A N SER 211.A O no hydrogen 3.072 N/A HIS 216.A NE2 ASP 49.A OD1 no hydrogen 3.186 N/A HIS 216.A NE2 ASP 49.A OD2 no hydrogen 3.183 N/A ILE 218.A N ILE 215.A O no hydrogen 2.595 N/A VAL 219.A N HIS 216.A O no hydrogen 3.370 N/A GLN 221.A N ILE 218.A O no hydrogen 2.902 N/A GLN 221.A NE2 ASN 223.A OD1 no hydrogen 2.966 N/A GLU 222.A N GLU 222.A OE1 no hydrogen 2.533 N/A ASN 223.A ND2 SER 33.A O no hydrogen 2.608 N/A ASN 223.A ND2 ASP 35.A O no hydrogen 3.226 N/A ASN 223.A ND2 VAL 38.A O no hydrogen 2.891 N/A PHE 224.A N GLN 221.A O no hydrogen 3.281 N/A THR 225.A N VAL 40.A O no hydrogen 2.746 N/A LEU 226.A N MET 1.A O no hydrogen 3.057 N/A LEU 227.A N LEU 42.A O no hydrogen 3.141 N/A THR 228.A N ILE 3.A O no hydrogen 3.415 N/A GLY 229.A N GLY 46.A O no hydrogen 2.905 N/A LEU 230.A N GLU 44.A O no hydrogen 2.910 N/A ARG 231.A N VAL 249.A O no hydrogen 3.065 N/A ARG 233.A N ASP 247.A O no hydrogen 3.056 N/A LEU 235.A N SER 281.A OG no hydrogen 2.767 N/A VAL 236.A N GLY 245.A O no hydrogen 3.055 N/A ARG 241.A N ASP 238.A O no hydrogen 2.857 N/A CYS 243.A N THR 493.A O no hydrogen 3.045 N/A CYS 243.A SG VAL 236.A O no hydrogen 3.546 N/A CYS 243.A SG GLY 245.A O no hydrogen 3.741 N/A THR 244.A N VAL 236.A O no hydrogen 2.723 N/A THR 244.A OG1 VAL 236.A O no hydrogen 3.289 N/A GLY 245.A N VAL 236.A O no hydrogen 3.382 N/A VAL 246.A N LEU 259.A O no hydrogen 2.936 N/A ASP 247.A N GLN 234.A O no hydrogen 3.031 N/A ILE 248.A N HIS 257.A O no hydrogen 2.896 N/A VAL 249.A N ARG 231.A O no hydrogen 2.657 N/A SER 251.A OG ASP 250.A OD1 no hydrogen 3.078 N/A HIS 257.A N ILE 248.A O no hydrogen 3.013 N/A HIS 257.A NE2 ASP 250.A OD2 no hydrogen 3.131 N/A ARG 258.A NE ASP 247.A OD1 no hydrogen 2.648 N/A ARG 258.A NH2 ASP 247.A OD2 no hydrogen 3.372 N/A LEU 259.A N VAL 246.A O no hydrogen 3.138 N/A THR 260.A N ARG 12.A O no hydrogen 2.821 N/A THR 260.A OG1 ARG 12.A O no hydrogen 3.057 N/A ALA 261.A N THR 244.A O no hydrogen 2.487 N/A ARG 262.A N PHE 14.A O no hydrogen 2.758 N/A ARG 262.A NE ASP 15.A OD1 no hydrogen 2.913 N/A ARG 262.A NH1 GLU 13.A OE1 no hydrogen 3.180 N/A ASN 263.A N ASP 15.A O no hydrogen 2.696 N/A GLU 264.A N ASP 15.A O no hydrogen 3.246 N/A VAL 265.A N GLY 494.A O no hydrogen 2.985 N/A VAL 266.A N ILE 17.A O no hydrogen 2.907 N/A LEU 267.A N ARG 496.A O no hydrogen 2.944 N/A SER 268.A N VAL 19.A O no hydrogen 2.722 N/A SER 268.A OG ALA 498.A O no hydrogen 2.798 N/A THR 269.A N THR 274.A OG1 no hydrogen 3.037 N/A THR 269.A OG1 THR 274.A OG1 no hydrogen 2.831 N/A GLY 270.A N ASP 499.A OD2 no hydrogen 2.771 N/A THR 274.A N GLY 270.A O no hydrogen 2.864 N/A THR 274.A OG1 THR 269.A OG1 no hydrogen 2.831 N/A THR 274.A OG1 GLY 270.A O no hydrogen 3.225 N/A THR 274.A OG1 ASP 499.A OD2 no hydrogen 2.644 N/A LYS 276.A NZ PHE 395.A O no hydrogen 2.912 N/A LYS 276.A NZ ASP 397.A O no hydrogen 2.938 N/A LEU 277.A N ASP 273.A O no hydrogen 2.993 N/A LEU 278.A N THR 274.A O no hydrogen 2.938 N/A MET 279.A N PRO 275.A O no hydrogen 3.063 N/A LEU 280.A N LYS 276.A O no hydrogen 2.886 N/A SER 281.A N LEU 278.A O no hydrogen 3.070 N/A SER 281.A OG LEU 277.A O no hydrogen 2.721 N/A GLY 282.A N MET 279.A O no hydrogen 3.059 N/A ILE 283.A N LEU 278.A O no hydrogen 2.739 N/A GLY 284.A N VAL 298.A O no hydrogen 3.360 N/A ALA 286.A N ASP 299.A OD1 no hydrogen 3.104 N/A HIS 288.A N PRO 285.A O no hydrogen 3.249 N/A LEU 289.A N PRO 285.A O no hydrogen 3.209 N/A ALA 290.A N ALA 286.A O no hydrogen 2.799 N/A GLU 291.A N ALA 287.A O no hydrogen 3.083 N/A GLU 291.A N HIS 288.A O no hydrogen 3.205 N/A HIS 292.A N LEU 289.A O no hydrogen 3.359 N/A GLY 293.A N ALA 290.A O no hydrogen 3.314 N/A ILE 294.A N LEU 289.A O no hydrogen 2.798 N/A LEU 297.A N GLY 282.A O no hydrogen 2.836 N/A VAL 298.A N GLY 282.A O no hydrogen 3.125 N/A SER 300.A N GLY 284.A O no hydrogen 2.699 N/A VAL 303.A N SER 300.A O no hydrogen 3.159 N/A GLY 304.A N THR 470.A O no hydrogen 2.871 N/A GLU 305.A N GLY 302.A O no hydrogen 3.179 N/A HIS 306.A NE2 MET 480.A O no hydrogen 3.127 N/A LEU 307.A N GLY 386.A O no hydrogen 2.885 N/A GLN 308.A N VAL 468.A O no hydrogen 2.912 N/A GLN 308.A NE2 HIS 306.A O no hydrogen 3.133 N/A HIS 310.A N ASP 309.A OD1 no hydrogen 2.689 N/A HIS 310.A ND1.A HIS 466.A ND1 no hydrogen 2.962 N/A HIS 310.A ND1.B VAL 379.A O no hydrogen 3.133 N/A HIS 310.A NE2.A THR 380.A O no hydrogen 3.008 N/A HIS 310.A NE2.A VAL 507.A O no hydrogen 2.948 N/A GLU 312.A N ASN 462.A O no hydrogen 2.918 N/A GLY 313.A N PRO 377.A O no hydrogen 2.736 N/A VAL 315.A N LEU 375.A O no hydrogen 2.654 N/A GLN 316.A N SER 442.A O no hydrogen 2.953 N/A GLN 316.A NE2 THR 361.A OG1 no hydrogen 3.018 N/A GLN 316.A NE2 SER 442.A OG no hydrogen 2.898 N/A PHE 317.A N PHE 373.A O no hydrogen 3.027 N/A GLU 318.A N ARG 439.A O no hydrogen 2.921 N/A ALA 319.A N ASN 371.A O no hydrogen 3.051 N/A LYS 320.A N TRP 436.A O no hydrogen 2.859 N/A GLN 321.A NE2 GLU 435.A O no hydrogen 3.487 N/A MET 323.A N ASN 371.A OD1 no hydrogen 2.805 N/A THR 328.A N GLU 332.A OE2 no hydrogen 3.433 N/A THR 328.A OG1 GLU 332.A OE2 no hydrogen 3.048 N/A GLN 329.A N SER 327.A OG no hydrogen 2.827 N/A GLN 329.A NE2 ALA 101.A O no hydrogen 3.024 N/A GLN 329.A NE2 TRP 331.A O no hydrogen 3.534 N/A TRP 330.A N SER 327.A OG no hydrogen 2.592 N/A TRP 330.A NE1 ASP 59.A O no hydrogen 3.052 N/A TRP 331.A N GLN 329.A OE1 no hydrogen 2.865 N/A GLY 334.A N ASN 195.A O no hydrogen 3.102 N/A ILE 335.A N MET 350.A O no hydrogen 2.816 N/A PHE 336.A N GLY 193.A O no hydrogen 2.822 N/A THR 337.A N LEU 348.A O no hydrogen 3.486 N/A THR 337.A OG1 ASN 192.A OD1 no hydrogen 3.083 N/A THR 339.A N ASP 347.A OD1 no hydrogen 3.099 N/A THR 339.A OG1 ASP 347.A OD1 no hydrogen 3.366 N/A THR 339.A OG1 ASP 347.A OD2 no hydrogen 2.597 N/A ARG 345.A NE ASP 344.A OD1 no hydrogen 2.774 N/A ARG 345.A NH1 ASP 111.A OD1 no hydrogen 2.847 N/A ARG 345.A NH1 GLU 114.A OE1 no hydrogen 3.418 N/A ARG 345.A NH2 GLU 114.A OE2 no hydrogen 3.206 N/A ARG 345.A NH2 ASP 344.A OD1 no hydrogen 2.941 N/A MET 349.A N ASN 378.A O no hydrogen 3.123 N/A MET 350.A N ILE 335.A O no hydrogen 2.906 N/A HIS 351.A N THR 376.A O no hydrogen 3.220 N/A HIS 351.A NE2 ASN 510.A OD1 no hydrogen 2.793 N/A TYR 352.A N ILE 333.A O no hydrogen 2.929 N/A TYR 352.A OH ASP 164.A OD2 no hydrogen 2.949 N/A GLY 353.A N SER 374.A O no hydrogen 3.001 N/A SER 354.A N TRP 330.A O no hydrogen 2.932 N/A SER 354.A OG TRP 330.A O no hydrogen 3.453 N/A PHE 357.A N GLN 316.A OE1 no hydrogen 3.306 N/A ASN 360.A ND2 ASN 462.A OD1 no hydrogen 3.086 N/A THR 361.A N ASP 358.A O no hydrogen 3.129 N/A LEU 362.A N ASP 358.A O no hydrogen 3.096 N/A ARG 363.A NH1 ASN 360.A OD1 no hydrogen 3.168 N/A HIS 364.A N THR 361.A O no hydrogen 2.871 N/A HIS 364.A ND1 ASN 360.A O no hydrogen 3.005 N/A GLY 365.A N LEU 362.A O no hydrogen 3.021 N/A TYR 366.A N THR 361.A O no hydrogen 3.440 N/A THR 369.A OG1 GLU 318.A OE2 no hydrogen 3.064 N/A THR 369.A OG1 ASN 371.A O no hydrogen 3.294 N/A ASN 371.A N THR 369.A OG1 no hydrogen 3.113 N/A ASN 371.A ND2 ALA 319.A O no hydrogen 3.624 N/A ASN 371.A ND2 GLN 321.A O no hydrogen 2.440 N/A PHE 373.A N PHE 317.A O no hydrogen 3.077 N/A SER 374.A N GLY 353.A O no hydrogen 2.805 N/A SER 374.A OG VAL 355.A O no hydrogen 2.979 N/A LEU 375.A N VAL 315.A O no hydrogen 2.822 N/A THR 376.A N HIS 351.A O no hydrogen 3.183 N/A THR 376.A OG1 HIS 351.A O no hydrogen 3.373 N/A ASN 378.A N MET 349.A O no hydrogen 2.664 N/A VAL 379.A N PRO 311.A O no hydrogen 3.363 N/A THR 380.A N ASP 347.A O no hydrogen 3.228 N/A THR 380.A OG1 PRO 346.A O no hydrogen 2.538 N/A HIS 381.A ND1.A GLU 505.A OE1 no hydrogen 3.308 N/A HIS 381.A NE2.A THR 508.A OG1 no hydrogen 3.206 N/A ARG 383.A N ASP 413.A OD1 no hydrogen 2.867 N/A ARG 383.A N ASP 413.A OD2 no hydrogen 3.161 N/A SER 384.A N ASP 413.A OD2 no hydrogen 3.076 N/A SER 384.A OG ASP 413.A OD2 no hydrogen 2.746 N/A ARG 385.A NH1 ALA 382.A O no hydrogen 2.810 N/A ARG 385.A NH1 SER 384.A O no hydrogen 3.066 N/A GLY 386.A N LEU 307.A O no hydrogen 2.928 N/A THR 387.A N ASP 402.A O no hydrogen 2.828 N/A VAL 388.A N GLY 304.A O no hydrogen 2.888 N/A ARG 389.A N MET 400.A O no hydrogen 2.879 N/A ARG 391.A NE LYS 398.A O no hydrogen 2.998 N/A ARG 391.A NH1 GLU 76.A OE1 no hydrogen 3.452 N/A ARG 391.A NH2 GLU 76.A OE1 no hydrogen 3.524 N/A ARG 391.A NH2 PRO 399.A O no hydrogen 3.031 N/A SER 392.A OG ASP 397.A OD1 no hydrogen 2.389 N/A ASP 394.A N SER 392.A OG no hydrogen 2.803 N/A ARG 396.A N ASP 394.A OD1 no hydrogen 3.274 N/A ARG 396.A NE ASP 394.A OD1 no hydrogen 2.875 N/A ARG 396.A NH1 ASP 394.A OD1 no hydrogen 3.335 N/A ASP 397.A N ASP 394.A O no hydrogen 2.840 N/A LYS 398.A NZ TRP 71.A O no hydrogen 3.132 N/A LYS 398.A NZ ASP 72.A O no hydrogen 3.001 N/A MET 400.A N ARG 389.A O no hydrogen 2.898 N/A ASP 402.A N THR 387.A O no hydrogen 2.912 N/A ARG 404.A N ASP 402.A OD2 no hydrogen 3.233 N/A ARG 404.A NE ARG 385.A O no hydrogen 2.901 N/A ARG 404.A NH2 ARG 385.A O no hydrogen 3.457 N/A TYR 405.A N GLN 78.A OE1 no hydrogen 3.062 N/A TYR 405.A OH HIS 87.A NE2.A no hydrogen 3.126 N/A TYR 405.A OH ASP 309.A OD2 no hydrogen 2.840 N/A THR 407.A N SER 384.A OG no hydrogen 2.933 N/A THR 407.A OG1 ARG 404.A O no hydrogen 2.322 N/A ASP 408.A N SER 384.A OG no hydrogen 3.168 N/A GLY 411.A N ASP 408.A O no hydrogen 3.052 N/A HIS 412.A N ASP 408.A OD2 no hydrogen 2.933 N/A HIS 412.A ND1 ASP 413.A OD1 no hydrogen 2.814 N/A ASP 413.A N ASP 408.A OD1 no hydrogen 3.284 N/A ARG 415.A N GLY 411.A O no hydrogen 3.333 N/A ARG 415.A NH2 GLU 410.A O no hydrogen 3.269 N/A VAL 416.A N HIS 412.A O no hydrogen 2.817 N/A MET 417.A N ASP 413.A O no hydrogen 3.056 N/A VAL 418.A N MET 414.A O no hydrogen 2.721 N/A ALA 419.A N ARG 415.A O no hydrogen 3.154 N/A GLY 420.A N VAL 416.A O no hydrogen 2.883 N/A ILE 421.A N MET 417.A O no hydrogen 2.932 N/A ARG 422.A N VAL 418.A O no hydrogen 3.097 N/A ARG 422.A NH1 GLN 448.A O no hydrogen 3.014 N/A ARG 422.A NH2 GLN 448.A O no hydrogen 3.298 N/A ARG 422.A NH2 ASP 450.A OD2 no hydrogen 2.840 N/A LYS 423.A N ALA 419.A O no hydrogen 2.932 N/A LYS 423.A NZ GLU 426.A OE1 no hydrogen 3.005 N/A ALA 424.A N GLY 420.A O no hydrogen 2.957 N/A ARG 425.A N ILE 421.A O no hydrogen 2.949 N/A ARG 425.A NE GLU 440.A OE1 no hydrogen 3.091 N/A ARG 425.A NE GLU 440.A OE2 no hydrogen 3.397 N/A ARG 425.A NH1 ALA 447.A O no hydrogen 3.064 N/A ARG 425.A NH2 GLU 440.A OE2 no hydrogen 3.462 N/A ARG 425.A NH2 GLY 444.A O no hydrogen 3.325 N/A ARG 425.A NH2 ALA 447.A O no hydrogen 2.505 N/A GLU 426.A N ARG 422.A O no hydrogen 2.928 N/A ILE 427.A N LYS 423.A O no hydrogen 2.685 N/A ALA 428.A N ALA 424.A O no hydrogen 3.172 N/A ALA 429.A N ARG 425.A O no hydrogen 3.195 N/A GLN 430.A N ILE 427.A O no hydrogen 3.452 N/A GLN 430.A NE2 GLU 426.A O no hydrogen 3.387 N/A ALA 432.A N GLN 176.A OE1 no hydrogen 2.906 N/A MET 433.A N GLN 430.A O no hydrogen 2.777 N/A ALA 434.A N PRO 431.A O no hydrogen 3.216 N/A TRP 436.A N MET 433.A O no hydrogen 3.431 N/A THR 437.A N MET 433.A O no hydrogen 3.061 N/A THR 437.A OG1 ALA 428.A O no hydrogen 2.705 N/A THR 437.A OG1 MET 433.A O no hydrogen 2.964 N/A LEU 441.A N GLN 316.A O no hydrogen 2.787 N/A SER 442.A OG TYR 456.A OH no hydrogen 2.879 N/A ALA 447.A N GLY 444.A O no hydrogen 2.812 N/A GLN 448.A N GLU 452.A OE1 no hydrogen 2.738 N/A THR 449.A N GLU 452.A OE1 no hydrogen 2.909 N/A GLU 451.A N THR 449.A OG1 no hydrogen 3.245 N/A GLU 452.A N THR 449.A OG1 no hydrogen 3.168 N/A LEU 453.A N THR 449.A O no hydrogen 3.180 N/A GLN 454.A N ASP 450.A O no hydrogen 3.011 N/A ASP 455.A N GLU 451.A O no hydrogen 3.300 N/A TYR 456.A N GLU 452.A O no hydrogen 3.183 N/A TYR 456.A OH VAL 314.A O no hydrogen 2.686 N/A TYR 456.A OH SER 442.A OG no hydrogen 2.879 N/A ILE 457.A N LEU 453.A O no hydrogen 2.976 N/A ARG 458.A N GLN 454.A O no hydrogen 2.808 N/A LYS 459.A N ASP 455.A O no hydrogen 2.996 N/A THR 460.A N TYR 456.A O no hydrogen 2.864 N/A THR 460.A N ILE 457.A O no hydrogen 3.183 N/A THR 460.A OG1 TYR 456.A O no hydrogen 2.539 N/A HIS 461.A N ILE 457.A O no hydrogen 3.026 N/A HIS 461.A ND1 ASN 462.A O no hydrogen 3.088 N/A ASN 462.A N GLU 312.A O no hydrogen 2.748 N/A ASN 462.A ND2 TYR 465.A OH no hydrogen 2.760 N/A THR 463.A OG1 ASP 309.A OD1 no hydrogen 3.172 N/A THR 463.A OG1 ASP 309.A OD2 no hydrogen 2.597 N/A VAL 464.A N HIS 310.A O no hydrogen 3.332 N/A TYR 465.A N THR 463.A OG1 no hydrogen 2.746 N/A HIS 466.A N ASP 309.A OD1 no hydrogen 2.959 N/A HIS 466.A ND1 HIS 310.A ND1.A no hydrogen 2.962 N/A VAL 468.A N GLN 308.A O no hydrogen 2.907 N/A GLY 469.A N ALA 500.A O no hydrogen 3.151 N/A THR 470.A OG1 ALA 271.A O no hydrogen 2.668 N/A THR 470.A OG1 SER 501.A OG no hydrogen 2.923 N/A VAL 471.A N SER 501.A O no hydrogen 2.888 N/A ARG 472.A NE SER 481.A OG no hydrogen 3.153 N/A ARG 472.A NH2 ASP 478.A OD2 no hydrogen 2.997 N/A MET 473.A N VAL 502.A O no hydrogen 3.023 N/A GLU 477.A N GLU 477.A OE1 no hydrogen 2.762 N/A MET 480.A N ASP 478.A OD1 no hydrogen 3.067 N/A SER 481.A N ASP 478.A O no hydrogen 3.476 N/A SER 481.A OG MET 473.A O no hydrogen 3.077 N/A SER 481.A OG ASP 478.A OD2 no hydrogen 2.992 N/A LEU 483.A N ARG 472.A O no hydrogen 3.098 N/A ASP 484.A N ARG 488.A O no hydrogen 2.998 N/A GLU 486.A N ASP 484.A OD1 no hydrogen 3.229 N/A LEU 487.A N ASP 484.A O no hydrogen 2.834 N/A ARG 488.A N ASP 484.A OD1 no hydrogen 3.077 N/A ARG 488.A NE ASP 484.A OD2 no hydrogen 3.308 N/A ARG 488.A NH2 ASP 484.A OD2 no hydrogen 3.245 N/A VAL 489.A N LEU 495.A O no hydrogen 2.943 N/A LYS 490.A N PRO 482.A O no hydrogen 3.100 N/A LYS 490.A NZ ALA 475.A O no hydrogen 2.735 N/A LYS 490.A NZ ASP 478.A O no hydrogen 3.268 N/A LYS 490.A NZ SER 481.A O no hydrogen 2.994 N/A THR 493.A N ARG 241.A O no hydrogen 3.195 N/A ARG 496.A N VAL 265.A O no hydrogen 3.073 N/A ARG 496.A NE GLU 264.A OE1 no hydrogen 2.875 N/A ARG 496.A NH1 GLU 486.A O no hydrogen 2.582 N/A ARG 496.A NH2 GLU 264.A OE2 no hydrogen 3.022 N/A VAL 497.A N LEU 487.A O no hydrogen 2.942 N/A ALA 498.A N LEU 267.A O no hydrogen 2.920 N/A SER 501.A N ASP 499.A OD1 no hydrogen 2.924 N/A SER 501.A OG GLY 270.A O no hydrogen 3.289 N/A SER 501.A OG THR 470.A OG1 no hydrogen 2.923 N/A VAL 502.A N ASP 499.A O no hydrogen 3.201 N/A HIS 506.A N GLN 308.A OE1 no hydrogen 2.904 N/A HIS 506.A NE2 HIS 466.A O no hydrogen 2.672 N/A VAL 507.A N HIS 506.A ND1 no hydrogen 3.060 N/A THR 508.A N ASP 111.A OD2 no hydrogen 3.003 N/A THR 508.A OG1 ASP 111.A OD1 no hydrogen 3.334 N/A THR 508.A OG1 ASP 111.A OD2 no hydrogen 2.578 N/A THR 508.A OG1 HIS 381.A NE2.A no hydrogen 3.206 N/A THR 514.A OG1 TYR 133.A OH no hydrogen 2.854 N/A VAL 515.A N PRO 511.A O no hydrogen 2.908 N/A MET 516.A N ASN 512.A O no hydrogen 2.830 N/A MET 517.A N ILE 513.A O no hydrogen 2.791 N/A ILE 518.A N THR 514.A O no hydrogen 3.000 N/A ILE 518.A N VAL 515.A O no hydrogen 2.797 N/A GLY 519.A N VAL 515.A O no hydrogen 3.231 N/A GLU 520.A N MET 516.A O no hydrogen 3.148 N/A ARG 521.A N MET 517.A O no hydrogen 2.954 N/A ARG 521.A NH1 GLY 123.A O no hydrogen 2.791 N/A CYS 522.A N ILE 518.A O no hydrogen 3.021 N/A CYS 522.A N GLY 519.A O no hydrogen 3.032 N/A ALA 523.A N GLY 519.A O no hydrogen 2.919 N/A ASP 524.A N GLU 520.A O no hydrogen 2.963 N/A LEU 525.A N ARG 521.A O no hydrogen 2.829 N/A ILE 526.A N CYS 522.A O no hydrogen 2.756 N/A ARG 527.A N ALA 523.A O no hydrogen 2.855 N/A SER 528.A N LEU 525.A O no hydrogen 3.071 N/A SER 528.A OG SER 528.A O no hydrogen 2.675 N/A ALA 529.A N ILE 526.A O no hydrogen 3.210 N/A