Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nge_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLU 4.A OE1 no hydrogen 2.736 N/A CYS 3.A SG THR 32.A OG1 no hydrogen 2.797 N/A ARG 5.A N ALA 1.A O no hydrogen 2.738 N/A ARG 5.A NH2 HIS 47.A NE2 no hydrogen 3.334 N/A ALA 6.A N ALA 2.A O no hydrogen 3.103 N/A LEU 7.A N GLU 4.A O no hydrogen 3.416 N/A GLN 8.A N ARG 5.A O no hydrogen 3.095 N/A TYR 9.A N ALA 6.A O no hydrogen 3.326 N/A TYR 9.A OH GLU 240.A OE2 no hydrogen 2.475 N/A LYS 10.A N ASP 13.A OD2 no hydrogen 3.006 N/A GLY 12.A N VAL 20.A O no hydrogen 3.003 N/A ASP 13.A N LYS 10.A O no hydrogen 3.263 N/A ILE 15.A N PHE 18.A O no hydrogen 2.895 N/A PHE 18.A N ILE 15.A O no hydrogen 2.802 N/A THR 19.A N THR 37.A O no hydrogen 2.953 N/A THR 19.A OG1 ASP 39.A OD1 no hydrogen 2.515 N/A THR 19.A OG1 ASP 39.A OD2 no hydrogen 3.450 N/A VAL 20.A N ASP 13.A O no hydrogen 2.964 N/A ASN 21.A N LYS 35.A O no hydrogen 2.819 N/A GLN 22.A N LYS 35.A O no hydrogen 3.405 N/A GLN 22.A NE2 THR 24.A OG1 no hydrogen 2.873 N/A THR 24.A N ALA 33.A O no hydrogen 2.728 N/A VAL 26.A N LEU 31.A O no hydrogen 2.867 N/A GLU 28.A N GLU 28.A OE1 no hydrogen 2.616 N/A LEU 29.A N VAL 26.A O no hydrogen 3.028 N/A PHE 30.A N PRO 27.A O no hydrogen 3.118 N/A LEU 31.A N VAL 26.A O no hydrogen 3.349 N/A THR 32.A N ALA 49.A O no hydrogen 3.099 N/A THR 32.A OG1 CYS 3.A O no hydrogen 2.964 N/A ALA 33.A N THR 24.A O no hydrogen 2.614 N/A VAL 34.A N HIS 47.A O no hydrogen 2.866 N/A LYS 35.A N GLN 22.A O no hydrogen 2.773 N/A LYS 35.A NZ GLN 22.A OE1 no hydrogen 3.087 N/A LYS 35.A NZ ASP 418.A OD1 no hydrogen 3.406 N/A LEU 36.A N TYR 45.A O no hydrogen 2.877 N/A THR 37.A N THR 19.A O no hydrogen 3.165 N/A THR 37.A OG1 ASN 21.A OD1 no hydrogen 2.398 N/A HIS 38.A N ALA 43.A O no hydrogen 2.847 N/A HIS 38.A NE2 HIS 247.A ND1 no hydrogen 2.927 N/A ASP 39.A N GLY 17.A O no hydrogen 2.804 N/A THR 41.A N HIS 38.A ND1 no hydrogen 3.073 N/A THR 41.A OG1 HIS 38.A ND1 no hydrogen 2.514 N/A GLY 42.A N HIS 38.A O no hydrogen 2.690 N/A ALA 43.A N THR 41.A OG1 no hydrogen 3.340 N/A ARG 44.A NH2 ASP 416.A OD1 no hydrogen 2.380 N/A TYR 45.A N LEU 36.A O no hydrogen 2.777 N/A TYR 45.A OH THR 233.A OG1 no hydrogen 2.492 N/A LEU 46.A N PHE 231.A O no hydrogen 2.859 N/A HIS 47.A N VAL 34.A O no hydrogen 2.923 N/A HIS 47.A ND1 THR 233.A OG1 no hydrogen 2.919 N/A LEU 48.A N THR 233.A O no hydrogen 2.824 N/A ALA 49.A N THR 32.A O no hydrogen 3.057 N/A ARG 50.A N GLY 235.A O no hydrogen 3.317 N/A ASP 52.A N ARG 50.A O no hydrogen 2.620 N/A THR 53.A OG1 GLN 118.A OE1 no hydrogen 2.987 N/A ASN 54.A N ASP 52.A OD1 no hydrogen 3.227 N/A ASN 54.A ND2 THR 399.A O no hydrogen 2.707 N/A ASN 55.A N THR 117.A O no hydrogen 2.923 N/A ASN 55.A ND2 THR 53.A O no hydrogen 2.706 N/A ASN 55.A ND2 ASN 236.A OD1 no hydrogen 2.491 N/A LEU 56.A N TYR 234.A O no hydrogen 2.900 N/A PHE 57.A N PHE 115.A O no hydrogen 2.937 N/A SER 58.A N PHE 232.A O no hydrogen 2.896 N/A SER 58.A OG THR 406.A OG1 no hydrogen 2.777 N/A VAL 59.A N TYR 113.A O no hydrogen 3.161 N/A GLN 60.A N ARG 230.A O no hydrogen 2.893 N/A GLN 60.A NE2 ALA 410.A O no hydrogen 2.868 N/A GLN 60.A NE2 ASN 414.A OD1 no hydrogen 3.597 N/A PHE 61.A N THR 111.A O no hydrogen 2.956 N/A ARG 62.A N ASN 228.A O no hydrogen 3.394 N/A ARG 62.A NE THR 259.A O no hydrogen 2.932 N/A ARG 62.A NE THR 259.A OG1 no hydrogen 3.067 N/A ARG 62.A NH1 ASN 414.A O no hydrogen 2.951 N/A ARG 62.A NH2 THR 259.A OG1 no hydrogen 3.206 N/A THR 63.A N ASP 109.A O no hydrogen 3.043 N/A THR 63.A OG1 THR 111.A OG1 no hydrogen 3.382 N/A THR 64.A OG1 THR 64.A O no hydrogen 2.524 N/A THR 69.A N ASP 67.A OD1 no hydrogen 3.196 N/A THR 69.A OG1 ASP 67.A OD1 no hydrogen 2.253 N/A HIS 73.A ND1 GLY 202.A O no hydrogen 3.217 N/A ILE 74.A N GLY 70.A O no hydrogen 2.821 N/A LEU 75.A N VAL 71.A O no hydrogen 2.970 N/A GLN 76.A N PRO 72.A O no hydrogen 3.270 N/A HIS 77.A N HIS 73.A O no hydrogen 3.215 N/A HIS 77.A ND1 GLU 147.A OE1 no hydrogen 3.175 N/A HIS 77.A NE2 HIS 73.A NE2 no hydrogen 2.749 N/A THR 78.A N ILE 74.A O no hydrogen 2.963 N/A THR 78.A OG1 ILE 74.A O no hydrogen 2.630 N/A VAL 79.A N LEU 75.A O no hydrogen 2.959 N/A CYS 81.A N THR 78.A O no hydrogen 3.039 N/A CYS 81.A SG HIS 77.A O no hydrogen 3.389 N/A SER 83.A N TYR 85.A O no hydrogen 3.206 N/A SER 83.A OG ASP 132.A OD2 no hydrogen 2.429 N/A GLN 84.A N PHE 136.A O no hydrogen 2.860 N/A ARG 88.A NH1 GLU 833.A OE1 no hydrogen 3.329 N/A ARG 88.A NH2 GLN 146.A OE1 no hydrogen 2.408 N/A ASP 89.A N CYS 81.A O no hydrogen 3.285 N/A LEU 94.A N PHE 91.A O no hydrogen 3.239 N/A ASN 95.A ND2 PHE 92.A O no hydrogen 3.369 N/A ARG 96.A N MET 93.A O no hydrogen 3.167 N/A ARG 96.A NE PRO 512.A O no hydrogen 3.112 N/A ARG 96.A NH1 GLU 883.A OE2 no hydrogen 3.223 N/A ARG 96.A NH2 LEU 511.A O no hydrogen 2.638 N/A SER 97.A OG ASP 122.A OD1 no hydrogen 2.984 N/A SER 97.A OG ASP 122.A OD2 no hydrogen 2.308 N/A LEU 98.A N ASP 122.A OD2 no hydrogen 2.808 N/A THR 100.A N SER 116.A O no hydrogen 2.710 N/A THR 100.A OG1 ASN 54.A OD1 no hydrogen 2.666 N/A THR 100.A OG1 SER 116.A OG no hydrogen 2.304 N/A PHE 101.A N SER 116.A O no hydrogen 3.329 N/A ASN 103.A N PRO 114.A O no hydrogen 3.288 N/A ALA 104.A N ASN 103.A OD1 no hydrogen 2.559 N/A PHE 105.A N LEU 112.A O no hydrogen 2.719 N/A THR 106.A OG1 GLN 76.A OE1 no hydrogen 2.190 N/A ALA 107.A N TYR 110.A O no hydrogen 2.703 N/A SER 108.A OG GLN 188.A OE1 no hydrogen 3.043 N/A THR 111.A N PHE 61.A O no hydrogen 2.923 N/A THR 111.A OG1 THR 63.A OG1 no hydrogen 3.382 N/A LEU 112.A N PHE 105.A O no hydrogen 2.701 N/A TYR 113.A N VAL 59.A O no hydrogen 2.964 N/A TYR 113.A OH TYR 224.A OH no hydrogen 2.588 N/A PHE 115.A N PHE 57.A O no hydrogen 2.924 N/A SER 116.A N PHE 101.A O no hydrogen 2.847 N/A SER 116.A OG THR 100.A OG1 no hydrogen 2.304 N/A THR 117.A N ASN 55.A O no hydrogen 3.029 N/A THR 117.A OG1 LEU 98.A O no hydrogen 3.310 N/A THR 117.A OG1 ASN 119.A O no hydrogen 3.568 N/A THR 117.A OG1 ASP 122.A OD2 no hydrogen 3.445 N/A ASN 119.A N THR 117.A OG1 no hydrogen 3.030 N/A LYS 121.A N ASN 119.A OD1 no hydrogen 3.114 N/A ASP 122.A N ASN 119.A OD1 no hydrogen 3.155 N/A PHE 123.A N ASN 119.A O no hydrogen 2.932 N/A GLN 124.A N PRO 120.A O no hydrogen 3.198 N/A ASN 125.A N LYS 121.A O no hydrogen 3.062 N/A LEU 126.A N ASP 122.A O no hydrogen 2.868 N/A LEU 127.A N PHE 123.A O no hydrogen 2.830 N/A SER 128.A N GLN 124.A O no hydrogen 3.120 N/A SER 128.A N ASN 125.A O no hydrogen 3.258 N/A SER 128.A OG GLN 124.A O no hydrogen 3.340 N/A SER 128.A OG GLU 249.A OE1 no hydrogen 2.740 N/A SER 128.A OG GLU 249.A OE2 no hydrogen 3.010 N/A VAL 129.A N ASN 125.A O no hydrogen 3.265 N/A TYR 130.A N LEU 126.A O no hydrogen 3.021 N/A TYR 130.A OH ASN 103.A O no hydrogen 3.170 N/A TYR 130.A OH PRO 114.A O no hydrogen 3.173 N/A LEU 131.A N LEU 127.A O no hydrogen 3.070 N/A ASP 132.A N SER 128.A O no hydrogen 3.085 N/A ALA 133.A N VAL 129.A O no hydrogen 2.982 N/A THR 134.A N TYR 130.A O no hydrogen 2.982 N/A THR 134.A OG1 TYR 130.A O no hydrogen 2.959 N/A THR 134.A OG1 LEU 131.A O no hydrogen 3.166 N/A PHE 135.A N LEU 131.A O no hydrogen 3.071 N/A PHE 136.A N ASP 132.A O no hydrogen 2.898 N/A CYS 138.A N GLY 82.A O no hydrogen 2.951 N/A ARG 140.A NE ASP 143.A OD2 no hydrogen 2.772 N/A ARG 140.A NH1 PRO 86.A O no hydrogen 3.048 N/A ARG 140.A NH2 CYS 81.A O no hydrogen 2.763 N/A ARG 140.A NH2 PRO 86.A O no hydrogen 3.441 N/A ARG 140.A NH2 CYS 87.A O no hydrogen 3.482 N/A PHE 144.A N ARG 140.A O no hydrogen 3.182 N/A TRP 145.A N GLU 141.A O no hydrogen 3.177 N/A GLN 146.A N LEU 142.A O no hydrogen 3.124 N/A GLN 146.A NE2 GLU 147.A OE2 no hydrogen 3.014 N/A GLU 147.A N ASP 143.A O no hydrogen 3.198 N/A GLY 148.A N PHE 144.A O no hydrogen 2.903 N/A TRP 149.A NE1 LEU 211.A O no hydrogen 2.812 N/A ARG 150.A N LYS 166.A O no hydrogen 2.876 N/A ARG 150.A NE GLU 152.A OE2 no hydrogen 2.583 N/A ARG 150.A NH1 TRP 145.A O no hydrogen 3.015 N/A ARG 150.A NH2 GLU 152.A OE1 no hydrogen 3.050 N/A ARG 150.A NH2 GLU 152.A OE2 no hydrogen 3.153 N/A ARG 150.A NH2 LYS 834.A O no hydrogen 3.327 N/A GLU 152.A N VAL 164.A O no hydrogen 3.033 N/A HIS 153.A ND1 THR 161.A O no hydrogen 2.618 N/A GLU 154.A N PRO 162.A O no hydrogen 3.320 N/A SER 157.A N ASN 155.A OD1 no hydrogen 3.376 N/A ASP 158.A N ASN 155.A O no hydrogen 2.943 N/A GLN 160.A N ASP 158.A OD1 no hydrogen 3.297 N/A THR 161.A N ASP 158.A O no hydrogen 3.038 N/A THR 161.A OG1 ASP 158.A O no hydrogen 2.625 N/A VAL 164.A N GLU 152.A O no hydrogen 2.810 N/A LYS 166.A N ARG 150.A O no hydrogen 3.088 N/A LYS 166.A NZ GLU 152.A OE1 no hydrogen 2.553 N/A VAL 168.A N GLN 146.A O no hydrogen 3.247 N/A VAL 169.A N GLU 147.A O no hydrogen 2.899 N/A ASN 171.A N GLY 167.A O no hydrogen 3.211 N/A ASN 171.A ND2 GLY 836.A O no hydrogen 2.627 N/A GLU 172.A N VAL 168.A O no hydrogen 2.651 N/A MET 173.A N VAL 169.A O no hydrogen 2.781 N/A ALA 175.A N GLU 172.A O no hydrogen 3.035 N/A PHE 176.A N MET 173.A O no hydrogen 3.154 N/A THR 177.A N GLY 174.A O no hydrogen 3.238 N/A ASN 179.A ND2 GLY 278.A O no hydrogen 3.078 N/A GLU 180.A N ASP 178.A OD1 no hydrogen 3.068 N/A ARG 181.A N ASP 178.A O no hydrogen 3.246 N/A ILE 182.A N ASP 178.A O no hydrogen 3.227 N/A PHE 183.A N ASN 179.A O no hydrogen 2.915 N/A SER 184.A N GLU 180.A O no hydrogen 2.863 N/A SER 184.A OG GLU 180.A O no hydrogen 2.927 N/A SER 184.A OG ASP 335.A OD2 no hydrogen 2.797 N/A GLN 185.A N ARG 181.A O no hydrogen 3.137 N/A HIS 186.A N ILE 182.A O no hydrogen 3.166 N/A HIS 186.A ND1 ILE 182.A O no hydrogen 3.112 N/A LEU 187.A N PHE 183.A O no hydrogen 3.010 N/A GLN 188.A N SER 184.A O no hydrogen 3.245 N/A GLN 188.A NE2 SER 108.A OG no hydrogen 3.349 N/A ASN 189.A N GLN 185.A O no hydrogen 3.036 N/A ASN 189.A ND2 GLN 185.A OE1 no hydrogen 3.149 N/A ARG 190.A N HIS 186.A O no hydrogen 3.078 N/A LEU 191.A N LEU 187.A O no hydrogen 3.091 N/A LEU 192.A N GLN 188.A O no hydrogen 3.183 N/A THR 196.A OG1 PRO 65.A O no hydrogen 3.129 N/A TYR 197.A OH ASP 109.A OD2 no hydrogen 2.555 N/A SER 198.A N HIS 195.A O no hydrogen 2.626 N/A SER 198.A OG HIS 195.A O no hydrogen 3.039 N/A VAL 200.A N SER 68.A OG no hydrogen 2.950 N/A SER 201.A OG ALA 107.A O no hydrogen 3.486 N/A GLY 203.A N VAL 200.A O no hydrogen 3.105 N/A ASP 204.A N SER 68.A O no hydrogen 3.045 N/A LEU 206.A N ASP 204.A OD1 no hydrogen 3.454 N/A CYS 207.A N ASP 204.A O no hydrogen 2.606 N/A ILE 208.A N ASP 204.A O no hydrogen 2.916 N/A GLU 210.A N CYS 207.A O no hydrogen 3.239 N/A LEU 211.A N ILE 208.A O no hydrogen 2.966 N/A THR 212.A N GLN 215.A OE1 no hydrogen 2.827 N/A TRP 213.A NE1 LEU 139.A O no hydrogen 2.922 N/A GLN 215.A N THR 212.A OG1 no hydrogen 3.200 N/A LEU 216.A N THR 212.A O no hydrogen 3.210 N/A LYS 217.A N TRP 213.A O no hydrogen 3.054 N/A LYS 217.A NZ GLU 214.A OE1 no hydrogen 3.161 N/A GLN 218.A N GLU 214.A O no hydrogen 2.871 N/A PHE 219.A N GLN 215.A O no hydrogen 3.119 N/A HIS 220.A N LEU 216.A O no hydrogen 3.302 N/A HIS 220.A NE2 THR 134.A O no hydrogen 2.867 N/A ALA 221.A N LYS 217.A O no hydrogen 3.159 N/A THR 222.A N GLN 218.A O no hydrogen 3.078 N/A THR 222.A OG1 GLN 218.A O no hydrogen 2.905 N/A HIS 223.A N PHE 219.A O no hydrogen 3.127 N/A HIS 223.A N HIS 220.A O no hydrogen 3.348 N/A HIS 223.A ND1 PHE 219.A O no hydrogen 2.628 N/A TYR 224.A N HIS 220.A O no hydrogen 2.885 N/A TYR 224.A OH TYR 113.A OH no hydrogen 2.588 N/A SER 227.A N HIS 225.A ND1 no hydrogen 3.071 N/A SER 227.A OG THR 41.A O no hydrogen 2.931 N/A SER 227.A OG ILE 255.A O no hydrogen 3.551 N/A ASN 228.A N HIS 225.A O no hydrogen 2.600 N/A ASN 228.A ND2 ARG 62.A O no hydrogen 2.727 N/A ASN 228.A ND2 HIS 223.A O no hydrogen 3.021 N/A ALA 229.A N PRO 226.A O no hydrogen 3.161 N/A ARG 230.A N GLN 60.A O no hydrogen 2.862 N/A ARG 230.A NE TRP 413.A O no hydrogen 3.020 N/A ARG 230.A NH2 TRP 413.A O no hydrogen 3.364 N/A PHE 231.A N ARG 44.A O no hydrogen 2.906 N/A PHE 232.A N SER 58.A O no hydrogen 2.943 N/A THR 233.A N LEU 46.A O no hydrogen 2.968 N/A THR 233.A OG1 TYR 45.A OH no hydrogen 2.492 N/A THR 233.A OG1 HIS 47.A ND1 no hydrogen 2.919 N/A TYR 234.A N LEU 56.A O no hydrogen 2.879 N/A TYR 234.A OH ASP 52.A OD2 no hydrogen 2.598 N/A GLY 235.A N LEU 48.A O no hydrogen 2.929 N/A ASN 236.A N ASP 52.A O no hydrogen 3.327 N/A PHE 237.A N ASN 55.A OD1 no hydrogen 2.768 N/A GLU 240.A N GLU 240.A OE1 no hydrogen 2.680 N/A GLN 241.A NE2 GLN 245.A OE1 no hydrogen 3.310 N/A LEU 243.A N LEU 239.A O no hydrogen 3.014 N/A LYS 244.A N GLU 240.A O no hydrogen 2.880 N/A LYS 244.A NZ GLU 248.A OE1 no hydrogen 2.692 N/A LYS 244.A NZ GLU 248.A OE2 no hydrogen 2.505 N/A GLN 245.A N GLN 241.A O no hydrogen 3.154 N/A GLN 245.A NE2 GLN 124.A O no hydrogen 2.492 N/A GLN 245.A NE2 SER 128.A OG no hydrogen 2.948 N/A ILE 246.A N HIS 242.A O no hydrogen 2.903 N/A HIS 247.A N LEU 243.A O no hydrogen 2.995 N/A HIS 247.A ND1 HIS 38.A NE2 no hydrogen 2.927 N/A GLU 248.A N LYS 244.A O no hydrogen 3.071 N/A GLU 249.A N GLN 245.A O no hydrogen 3.031 N/A LEU 251.A N ILE 246.A O no hydrogen 3.130 N/A SER 252.A N HIS 247.A O no hydrogen 2.965 N/A SER 252.A OG HIS 247.A O no hydrogen 2.853 N/A THR 259.A OG1 ASN 228.A OD1 no hydrogen 2.498 N/A GLN 264.A N GLU 344.A OE2 no hydrogen 2.699 N/A THR 265.A OG1 ASP 194.A OD2 no hydrogen 2.792 N/A TRP 267.A N HIS 455.A ND1 no hydrogen 3.056 N/A ARG 271.A N LYS 456.A O no hydrogen 3.009 N/A PHE 273.A N THR 458.A O no hydrogen 2.934 N/A ILE 275.A N SER 460.A O no hydrogen 2.954 N/A CYS 277.A N ARG 462.A O no hydrogen 3.257 N/A CYS 277.A SG GLY 278.A O no hydrogen 3.606 N/A GLY 278.A N ASN 179.A OD1 no hydrogen 3.058 N/A LYS 283.A NZ GLY 353.A O no hydrogen 2.498 N/A THR 285.A N ILE 354.A O no hydrogen 2.960 N/A THR 286.A N MET 461.A O no hydrogen 2.842 N/A VAL 287.A N LEU 351.A O no hydrogen 3.016 N/A SER 288.A N LEU 459.A O no hydrogen 2.834 N/A VAL 289.A N VAL 349.A O no hydrogen 2.848 N/A SER 290.A N LEU 457.A O no hydrogen 2.814 N/A SER 290.A OG SER 348.A OG no hydrogen 3.175 N/A PHE 291.A N PHE 347.A O no hydrogen 2.907 N/A LEU 292.A N HIS 455.A O no hydrogen 3.338 N/A LEU 293.A N ALA 345.A O no hydrogen 2.791 N/A ILE 296.A N ARG 343.A O no hydrogen 3.058 N/A ASP 298.A N ASP 295.A O no hydrogen 3.269 N/A ALA 302.A N ASP 298.A O no hydrogen 2.782 N/A PHE 303.A N THR 299.A O no hydrogen 2.792 N/A THR 304.A N PHE 300.A O no hydrogen 2.848 N/A THR 304.A OG1 PHE 300.A O no hydrogen 2.878 N/A LEU 305.A N GLU 301.A O no hydrogen 3.161 N/A SER 306.A N ALA 302.A O no hydrogen 3.102 N/A LEU 307.A N PHE 303.A O no hydrogen 3.268 N/A LEU 308.A N THR 304.A O no hydrogen 2.811 N/A SER 309.A N LEU 305.A O no hydrogen 2.802 N/A SER 310.A N SER 306.A O no hydrogen 3.294 N/A SER 310.A N LEU 307.A O no hydrogen 3.070 N/A LEU 311.A N LEU 307.A O no hydrogen 3.112 N/A LEU 312.A N LEU 308.A O no hydrogen 3.289 N/A THR 313.A N SER 310.A O no hydrogen 3.200 N/A THR 313.A OG1 SER 309.A O no hydrogen 2.792 N/A SER 314.A N SER 310.A O no hydrogen 2.681 N/A ASN 317.A ND2 ARG 586.A O no hydrogen 3.174 N/A SER 318.A N GLY 315.A O no hydrogen 3.195 N/A SER 318.A OG GLY 315.A O no hydrogen 2.336 N/A PHE 320.A N LEU 312.A O no hydrogen 3.249 N/A LEU 323.A N PHE 320.A O no hydrogen 2.889 N/A GLU 325.A N TYR 321.A O no hydrogen 3.054 N/A SER 326.A OG LEU 323.A O no hydrogen 2.617 N/A GLY 327.A N ILE 324.A O no hydrogen 3.272 N/A LEU 328.A N SER 326.A OG no hydrogen 3.269 N/A THR 330.A N GLN 352.A O no hydrogen 2.774 N/A THR 330.A OG1 GLN 352.A O no hydrogen 2.921 N/A PHE 332.A N ASP 331.A OD1 no hydrogen 2.394 N/A SER 333.A N GLY 350.A O no hydrogen 2.915 N/A GLY 337.A N SER 348.A O no hydrogen 2.762 N/A ASN 339.A N TYR 346.A O no hydrogen 2.805 N/A ASN 339.A ND2 ASP 335.A O no hydrogen 3.183 N/A ASN 339.A ND2 TYR 346.A O no hydrogen 3.345 N/A THR 342.A OG1 GLU 344.A O no hydrogen 2.480 N/A ARG 343.A N TYR 197.A OH no hydrogen 2.953 N/A GLU 344.A N GLU 344.A OE1 no hydrogen 2.844 N/A ALA 345.A N PRO 294.A O no hydrogen 3.345 N/A TYR 346.A N ASN 339.A O no hydrogen 3.038 N/A PHE 347.A N PHE 291.A O no hydrogen 3.114 N/A SER 348.A N GLY 337.A O no hydrogen 3.090 N/A SER 348.A OG SER 290.A OG no hydrogen 3.175 N/A VAL 349.A N VAL 289.A O no hydrogen 3.169 N/A LEU 351.A N VAL 287.A O no hydrogen 3.063 N/A GLN 352.A N ASP 331.A O no hydrogen 2.979 N/A GLN 352.A NE2 GLU 180.A OE2 no hydrogen 3.566 N/A GLN 352.A NE2 PHE 332.A O no hydrogen 2.737 N/A GLY 353.A N THR 285.A O no hydrogen 3.246 N/A ILE 354.A N THR 285.A O no hydrogen 3.199 N/A ASP 358.A N VAL 355.A O no hydrogen 2.826 N/A ILE 359.A N GLU 356.A O no hydrogen 3.276 N/A VAL 362.A N ASP 358.A O no hydrogen 3.103 N/A ARG 363.A N ILE 359.A O no hydrogen 3.060 N/A ARG 363.A NH1 GLU 272.A OE1 no hydrogen 3.034 N/A SER 364.A N GLU 360.A O no hydrogen 2.923 N/A LEU 365.A N THR 361.A O no hydrogen 2.884 N/A ILE 366.A N VAL 362.A O no hydrogen 3.111 N/A ASP 367.A N ARG 363.A O no hydrogen 3.316 N/A ARG 368.A N SER 364.A O no hydrogen 2.914 N/A THR 369.A N LEU 365.A O no hydrogen 2.870 N/A THR 369.A OG1 LEU 365.A O no hydrogen 2.684 N/A ILE 370.A N ILE 366.A O no hydrogen 3.127 N/A ASP 371.A N ASP 367.A O no hydrogen 3.178 N/A GLU 372.A N ARG 368.A O no hydrogen 3.025 N/A VAL 373.A N THR 369.A O no hydrogen 3.036 N/A VAL 374.A N ILE 370.A O no hydrogen 3.121 N/A GLU 375.A N ASP 371.A O no hydrogen 3.239 N/A LYS 376.A N GLU 372.A O no hydrogen 2.866 N/A GLY 377.A N VAL 373.A O no hydrogen 2.623 N/A ARG 382.A NH1 LEU 311.A O no hydrogen 2.774 N/A ARG 382.A NH2 LEU 311.A O no hydrogen 3.336 N/A GLU 384.A N ASP 380.A O no hydrogen 3.348 N/A ALA 385.A N ASP 381.A O no hydrogen 3.104 N/A LEU 386.A N ARG 382.A O no hydrogen 3.091 N/A LEU 387.A N ILE 383.A O no hydrogen 3.021 N/A HIS 388.A N GLU 384.A O no hydrogen 2.928 N/A HIS 388.A ND1 GLU 593.A O no hydrogen 3.276 N/A LYS 389.A N ALA 385.A O no hydrogen 2.943 N/A ILE 390.A N LEU 386.A O no hydrogen 3.005 N/A GLU 391.A N LEU 387.A O no hydrogen 3.158 N/A ILE 392.A N HIS 388.A O no hydrogen 3.115 N/A GLN 393.A N LYS 389.A O no hydrogen 3.234 N/A MET 394.A N ILE 390.A O no hydrogen 3.127 N/A LYS 395.A N GLU 391.A O no hydrogen 3.154 N/A HIS 396.A N ILE 392.A O no hydrogen 2.936 N/A HIS 396.A ND1 TYR 551.A OH no hydrogen 2.510 N/A GLN 397.A NE2 LYS 395.A O no hydrogen 2.957 N/A MET 404.A N SER 400.A O no hydrogen 3.127 N/A LEU 405.A N PHE 401.A O no hydrogen 2.987 N/A THR 406.A N GLY 402.A O no hydrogen 3.197 N/A THR 406.A OG1 SER 58.A OG no hydrogen 2.777 N/A SER 407.A N LEU 403.A O no hydrogen 3.167 N/A SER 407.A OG LEU 403.A O no hydrogen 2.726 N/A TYR 408.A N MET 404.A O no hydrogen 2.832 N/A TYR 408.A N LEU 405.A O no hydrogen 3.152 N/A ILE 409.A N LEU 405.A O no hydrogen 3.066 N/A SER 411.A OG GLY 340.A O no hydrogen 3.322 N/A CYS 412.A SG ILE 296.A O no hydrogen 3.963 N/A TRP 413.A N ILE 409.A O no hydrogen 2.921 N/A ASN 414.A N ALA 410.A O no hydrogen 2.831 N/A ASN 414.A ND2 ASP 109.A O no hydrogen 2.999 N/A ASN 414.A ND2 HIS 415.A NE2 no hydrogen 3.682 N/A HIS 415.A N CYS 412.A O no hydrogen 3.314 N/A ASP 416.A N TRP 413.A O no hydrogen 3.134 N/A GLY 417.A N CYS 412.A O no hydrogen 2.897 N/A VAL 420.A N ASP 418.A OD1 no hydrogen 3.119 N/A GLU 421.A N ASP 418.A O no hydrogen 3.207 N/A LEU 423.A N VAL 420.A O no hydrogen 2.921 N/A LYS 424.A NZ GLU 421.A OE2 no hydrogen 3.212 N/A GLY 426.A N GLU 28.A OE2 no hydrogen 3.176 N/A GLN 428.A N LYS 424.A O no hydrogen 3.237 N/A LEU 429.A N LEU 425.A O no hydrogen 2.954 N/A ALA 430.A N GLY 426.A O no hydrogen 3.095 N/A LYS 431.A N ASN 427.A O no hydrogen 2.849 N/A PHE 432.A N GLN 428.A O no hydrogen 2.895 N/A ARG 433.A N LEU 429.A O no hydrogen 2.840 N/A ARG 433.A NH1 GLU 384.A OE2 no hydrogen 3.467 N/A ARG 433.A NH2 GLU 384.A OE1 no hydrogen 3.472 N/A GLN 434.A N ALA 430.A O no hydrogen 2.939 N/A GLN 434.A NE2 GLU 438.A OE2 no hydrogen 3.006 N/A CYS 435.A N LYS 431.A O no hydrogen 2.794 N/A CYS 435.A SG LYS 431.A O no hydrogen 3.193 N/A LEU 436.A N PHE 432.A O no hydrogen 3.266 N/A LEU 436.A N ARG 433.A O no hydrogen 3.196 N/A GLN 437.A N ARG 433.A O no hydrogen 3.084 N/A GLU 438.A N GLN 434.A O no hydrogen 2.962 N/A ASN 439.A N CYS 435.A O no hydrogen 3.281 N/A LYS 441.A N ASN 439.A OD1 no hydrogen 2.933 N/A PHE 442.A N ASN 439.A O no hydrogen 3.248 N/A GLN 444.A NE2 VAL 374.A O no hydrogen 2.930 N/A GLU 445.A N LYS 441.A O no hydrogen 3.119 N/A LYS 447.A N GLN 444.A O no hydrogen 2.981 N/A GLN 448.A N GLU 445.A O no hydrogen 2.850 N/A TYR 449.A OH GLU 301.A OE2 no hydrogen 3.091 N/A PHE 450.A N VAL 446.A O no hydrogen 3.012 N/A ASN 452.A N LYS 447.A O no hydrogen 3.206 N/A ASN 453.A ND2 LEU 292.A O no hydrogen 2.655 N/A ASN 453.A ND2 TYR 449.A O no hydrogen 3.553 N/A HIS 455.A N ASN 453.A OD1 no hydrogen 3.111 N/A HIS 455.A NE2 LEU 191.A O no hydrogen 3.062 N/A LEU 457.A N SER 290.A O no hydrogen 2.868 N/A THR 458.A N ARG 271.A O no hydrogen 2.937 N/A LEU 459.A N SER 288.A O no hydrogen 2.911 N/A SER 460.A N PHE 273.A O no hydrogen 3.018 N/A SER 460.A OG PHE 273.A O no hydrogen 3.473 N/A MET 461.A N THR 286.A O no hydrogen 2.540 N/A ARG 462.A N ILE 275.A O no hydrogen 3.072 N/A ARG 462.A NH1 THR 285.A OG1 no hydrogen 3.035 N/A ASP 464.A N CYS 277.A O no hydrogen 2.612 N/A LYS 466.A N ASP 464.A OD1 no hydrogen 2.921 N/A TYR 467.A N ASP 464.A O no hydrogen 3.125 N/A GLU 469.A N GLU 469.A OE1 no hydrogen 2.576 N/A LYS 470.A N LYS 466.A O no hydrogen 2.820 N/A LYS 470.A NZ ASP 464.A OD1 no hydrogen 2.689 N/A LYS 470.A NZ ASP 464.A OD2 no hydrogen 2.453 N/A GLN 471.A N TYR 467.A O no hydrogen 3.084 N/A ALA 472.A N HIS 468.A O no hydrogen 2.756 N/A GLN 473.A N GLU 469.A O no hydrogen 2.793 N/A VAL 474.A N LYS 470.A O no hydrogen 3.301 N/A GLU 475.A N GLN 471.A O no hydrogen 2.947 N/A ALA 476.A N ALA 472.A O no hydrogen 2.748 N/A THR 477.A N GLN 473.A O no hydrogen 2.767 N/A THR 477.A OG1 GLN 473.A O no hydrogen 2.870 N/A LYS 478.A N VAL 474.A O no hydrogen 2.547 N/A LEU 479.A N GLU 475.A O no hydrogen 2.791 N/A LYS 480.A N ALA 476.A O no hydrogen 3.191 N/A GLN 481.A N THR 477.A O no hydrogen 3.287 N/A GLU 483.A N LYS 480.A O no hydrogen 2.858 N/A LEU 485.A N VAL 482.A O no hydrogen 3.122 N/A SER 486.A OG ASP 489.A OD2 no hydrogen 2.912 N/A ASP 489.A N SER 486.A OG no hydrogen 3.245 N/A ARG 490.A N SER 486.A O no hydrogen 2.862 N/A GLN 491.A N PRO 487.A O no hydrogen 3.104 N/A GLN 492.A N GLY 488.A O no hydrogen 3.191 N/A ILE 493.A N ASP 489.A O no hydrogen 3.136 N/A TYR 494.A N ARG 490.A O no hydrogen 3.094 N/A TYR 494.A OH SER 157.A O no hydrogen 3.317 N/A GLU 495.A N GLN 491.A O no hydrogen 2.885 N/A LEU 497.A N TYR 494.A O no hydrogen 3.026 N/A GLU 498.A N GLU 495.A O no hydrogen 2.989 N/A ARG 500.A N GLY 496.A O no hydrogen 3.119 N/A SER 501.A N LEU 497.A O no hydrogen 3.114 N/A GLN 502.A N GLU 498.A O no hydrogen 2.849 N/A GLN 503.A N LEU 499.A O no hydrogen 2.927 N/A GLN 503.A NE2 GLN 146.A OE1 no hydrogen 2.921 N/A GLN 503.A NE2 GLU 833.A O no hydrogen 3.235 N/A SER 504.A N SER 501.A O no hydrogen 2.976 N/A SER 504.A OG ARG 500.A O no hydrogen 2.465 N/A LYS 505.A N SER 501.A O no hydrogen 2.727 N/A GLN 507.A NE2 GLN 502.A O no hydrogen 3.529 N/A GLN 507.A NE2 GLN 502.A OE1 no hydrogen 2.766 N/A SER 510.A N ASP 508.A OD1 no hydrogen 3.238 N/A SER 510.A OG ASP 508.A OD1 no hydrogen 3.235 N/A SER 510.A OG ASP 508.A OD2 no hydrogen 2.565 N/A LEU 514.A N ARG 96.A O no hydrogen 3.089 N/A LYS 515.A N ASP 518.A OD2 no hydrogen 3.032 N/A ASP 518.A N LYS 515.A O no hydrogen 2.929 N/A ILE 519.A N VAL 516.A O no hydrogen 3.109 N/A THR 526.A N ASP 911.A OD2 no hydrogen 3.359 N/A ASP 529.A N TYR 541.A O no hydrogen 2.986 N/A VAL 531.A N VAL 539.A O no hydrogen 2.921 N/A THR 533.A N ILE 537.A O no hydrogen 2.626 N/A THR 533.A OG1 VAL 531.A O no hydrogen 3.034 N/A ILE 537.A N THR 533.A O no hydrogen 2.875 N/A VAL 539.A N VAL 531.A O no hydrogen 2.980 N/A GLN 540.A N CYS 729.A O no hydrogen 2.644 N/A GLN 540.A NE2 GLY 901.A O no hydrogen 2.987 N/A TYR 541.A N ASP 529.A O no hydrogen 2.778 N/A CYS 542.A N VAL 731.A O no hydrogen 2.953 N/A CYS 542.A SG GLU 527.A O no hydrogen 3.873 N/A GLN 544.A N ALA 733.A O no hydrogen 2.860 N/A THR 546.A N GLN 544.A O no hydrogen 2.860 N/A THR 546.A OG1 MET 549.A O no hydrogen 2.400 N/A ASN 547.A ND2 LYS 395.A O no hydrogen 3.392 N/A MET 549.A N THR 546.A OG1 no hydrogen 3.289 N/A VAL 550.A N CYS 624.A O no hydrogen 2.782 N/A TYR 551.A N ASN 732.A O no hydrogen 2.850 N/A TYR 551.A OH HIS 396.A ND1 no hydrogen 2.510 N/A PHE 552.A N SER 622.A O no hydrogen 2.939 N/A ARG 553.A N SER 730.A O no hydrogen 3.154 N/A ARG 553.A NH1 SER 899.A O no hydrogen 2.925 N/A ARG 553.A NH2 SER 899.A O no hydrogen 2.931 N/A ALA 554.A N PHE 620.A O no hydrogen 2.788 N/A PHE 555.A N ARG 728.A O no hydrogen 2.906 N/A SER 556.A N VAL 618.A O no hydrogen 3.160 N/A SER 556.A OG LEU 721.A O no hydrogen 2.801 N/A SER 557.A N ASN 726.A O no hydrogen 2.895 N/A LEU 558.A N GLN 616.A O no hydrogen 3.011 N/A ASN 559.A N SER 557.A OG no hydrogen 2.984 N/A ASN 559.A ND2 LYS 775.A O no hydrogen 3.277 N/A LEU 561.A N LEU 558.A O no hydrogen 3.176 N/A GLU 564.A N GLU 564.A OE1 no hydrogen 2.577 N/A LEU 565.A N PRO 562.A O no hydrogen 2.954 N/A ARG 566.A N GLU 563.A O no hydrogen 3.181 N/A TYR 568.A N LEU 565.A O no hydrogen 3.228 N/A VAL 569.A N ARG 566.A O no hydrogen 3.245 N/A PHE 572.A N TYR 568.A O no hydrogen 2.919 N/A CYS 573.A N VAL 569.A O no hydrogen 2.796 N/A CYS 573.A SG VAL 569.A O no hydrogen 3.209 N/A SER 574.A N PRO 570.A O no hydrogen 3.029 N/A SER 574.A N LEU 571.A O no hydrogen 3.262 N/A SER 574.A OG PRO 570.A O no hydrogen 3.322 N/A SER 574.A OG LEU 571.A O no hydrogen 2.833 N/A VAL 575.A N PHE 572.A O no hydrogen 3.331 N/A LEU 576.A N PHE 572.A O no hydrogen 2.964 N/A THR 577.A OG1 MET 598.A O no hydrogen 3.107 N/A GLY 579.A N GLN 588.A OE1 no hydrogen 2.791 N/A CYS 580.A N LEU 583.A O no hydrogen 3.048 N/A GLY 581.A N ASN 642.A O no hydrogen 2.882 N/A LEU 583.A N CYS 580.A O no hydrogen 3.043 N/A ASP 584.A N GLU 587.A OE1 no hydrogen 3.192 N/A TYR 585.A OH GLU 325.A OE2 no hydrogen 2.711 N/A ARG 586.A NH2 GLU 325.A OE2 no hydrogen 3.331 N/A GLU 587.A N ASP 584.A OD1 no hydrogen 2.765 N/A GLN 588.A N ASP 584.A O no hydrogen 2.883 N/A ALA 589.A N TYR 585.A O no hydrogen 3.093 N/A GLN 590.A N ARG 586.A O no hydrogen 3.226 N/A GLN 590.A NE2 ASP 381.A O no hydrogen 2.822 N/A GLN 591.A N GLU 587.A O no hydrogen 3.160 N/A ILE 592.A N GLN 588.A O no hydrogen 3.044 N/A GLU 593.A N ALA 589.A O no hydrogen 2.850 N/A LEU 594.A N GLN 590.A O no hydrogen 2.911 N/A THR 595.A OG1 ILE 592.A O no hydrogen 2.689 N/A GLY 596.A N LEU 623.A O no hydrogen 2.788 N/A GLY 597.A N THR 595.A OG1 no hydrogen 3.211 N/A SER 599.A N SER 621.A O.A no hydrogen 3.121 N/A SER 599.A N SER 621.A O.B no hydrogen 3.126 N/A SER 601.A N LEU 619.A O no hydrogen 3.099 N/A SER 601.A OG HIS 603.A NE2 no hydrogen 2.866 N/A HIS 603.A N GLY 617.A O no hydrogen 2.876 N/A HIS 603.A NE2 SER 601.A OG no hydrogen 2.866 N/A LEU 605.A N GLU 615.A O no hydrogen 2.690 N/A ASP 607.A N THR 613.A O no hydrogen 2.959 N/A SER 609.A N ASP 607.A OD1 no hydrogen 2.623 N/A SER 609.A OG ASP 607.A OD1 no hydrogen 2.835 N/A SER 609.A OG ASP 608.A OD1 no hydrogen 3.451 N/A ASP 612.A N HIS 610.A ND1 no hydrogen 3.263 N/A THR 613.A N HIS 610.A O no hydrogen 3.258 N/A THR 613.A OG1 HIS 610.A ND1 no hydrogen 2.608 N/A TYR 614.A N VAL 777.A O no hydrogen 3.000 N/A TYR 614.A OH GLU 779.A OE2 no hydrogen 2.970 N/A GLU 615.A N LEU 605.A O no hydrogen 2.638 N/A GLN 616.A NE2 ASN 559.A OD1 no hydrogen 3.232 N/A GLY 617.A N HIS 603.A O no hydrogen 3.242 N/A VAL 618.A N SER 556.A O no hydrogen 2.917 N/A LEU 619.A N SER 601.A O no hydrogen 2.767 N/A PHE 620.A N ALA 554.A O no hydrogen 2.728 N/A SER 621.A N.A SER 599.A O no hydrogen 3.016 N/A SER 621.A N.B SER 599.A O no hydrogen 3.018 N/A SER 622.A N PHE 552.A O no hydrogen 2.824 N/A SER 622.A OG PHE 552.A O no hydrogen 3.479 N/A CYS 624.A N VAL 550.A O no hydrogen 2.964 N/A CYS 624.A SG LEU 625.A O no hydrogen 3.324 N/A ASP 626.A N GLY 548.A O no hydrogen 2.902 N/A ARG 627.A NH1 GLU 391.A OE2 no hydrogen 3.161 N/A ARG 627.A NH2 GLU 391.A OE1 no hydrogen 2.893 N/A ARG 627.A NH2 GLU 391.A OE2 no hydrogen 3.257 N/A ASN 628.A N LEU 625.A O no hydrogen 3.204 N/A ASN 628.A ND2 HIS 388.A NE2 no hydrogen 3.535 N/A LEU 629.A N ASP 626.A O no hydrogen 3.405 N/A MET 632.A N ASN 628.A O no hydrogen 3.083 N/A MET 633.A N LEU 629.A O no hydrogen 3.273 N/A GLN 634.A N PRO 630.A O no hydrogen 3.102 N/A LEU 635.A N ASP 631.A O no hydrogen 3.063 N/A TRP 636.A N MET 632.A O no hydrogen 3.027 N/A TRP 636.A NE1 SER 622.A OG no hydrogen 2.903 N/A SER 637.A N MET 633.A O no hydrogen 3.045 N/A SER 637.A OG SER 750.A OG no hydrogen 2.845 N/A GLU 638.A N GLN 634.A O no hydrogen 3.356 N/A ILE 639.A N LEU 635.A O no hydrogen 3.147 N/A PHE 640.A N TRP 636.A O no hydrogen 2.939 N/A ASN 641.A N SER 637.A O no hydrogen 2.978 N/A ASN 641.A ND2 SER 750.A O no hydrogen 2.451 N/A ASN 642.A N GLU 638.A O no hydrogen 2.669 N/A ASN 642.A ND2 GLU 638.A OE2 no hydrogen 2.074 N/A CYS 644.A N GLY 579.A O no hydrogen 2.853 N/A CYS 644.A SG GLY 581.A O no hydrogen 3.829 N/A PHE 645.A N PRO 643.A O no hydrogen 3.136 N/A LYS 652.A N GLU 648.A O no hydrogen 3.019 N/A VAL 653.A N GLU 649.A O no hydrogen 3.319 N/A LEU 654.A N HIS 650.A O no hydrogen 2.894 N/A VAL 655.A N PHE 651.A O no hydrogen 2.978 N/A THR 657.A N LEU 654.A O no hydrogen 2.913 N/A THR 657.A OG1 LEU 654.A O no hydrogen 2.876 N/A ALA 658.A N VAL 655.A O no hydrogen 2.971 N/A GLN 659.A NE2 THR 330.A OG1 no hydrogen 2.802 N/A GLU 660.A N MET 656.A O no hydrogen 3.086 N/A LEU 661.A N THR 657.A O no hydrogen 3.004 N/A ALA 662.A N ALA 658.A O no hydrogen 3.123 N/A ASN 663.A N GLN 659.A O no hydrogen 3.141 N/A ASN 663.A ND2 GLN 352.A OE1 no hydrogen 2.992 N/A GLY 664.A N LEU 661.A O no hydrogen 3.359 N/A SER 668.A N GLY 664.A O no hydrogen 3.238 N/A GLY 669.A N PRO 666.A O no hydrogen 3.252 N/A LEU 671.A N SER 668.A O no hydrogen 2.888 N/A TYR 672.A N SER 668.A O no hydrogen 3.174 N/A ALA 673.A N GLY 669.A O no hydrogen 3.068 N/A SER 674.A N HIS 670.A O no hydrogen 2.961 N/A SER 674.A OG HIS 670.A O no hydrogen 2.675 N/A ILE 675.A N LEU 671.A O no hydrogen 2.870 N/A ARG 676.A N TYR 672.A O no hydrogen 3.276 N/A ARG 676.A NE GLU 689.A OE1 no hydrogen 3.045 N/A ARG 676.A NH2 GLU 689.A OE2 no hydrogen 3.204 N/A ALA 677.A N ALA 673.A O no hydrogen 2.979 N/A GLY 678.A N SER 674.A O no hydrogen 3.043 N/A ARG 679.A N ARG 676.A O no hydrogen 3.236 N/A ARG 679.A NH1 ASP 686.A OD1 no hydrogen 3.211 N/A ARG 679.A NH2 ASP 695.A OD2 no hydrogen 2.780 N/A THR 680.A OG1 TRP 785.A O no hydrogen 2.768 N/A LEU 681.A N GLY 678.A O no hydrogen 3.444 N/A GLY 685.A N THR 682.A OG1 no hydrogen 2.932 N/A ASP 686.A N THR 682.A O no hydrogen 3.247 N/A LEU 687.A N PRO 683.A O no hydrogen 3.369 N/A GLN 688.A N ALA 684.A O no hydrogen 2.906 N/A GLU 689.A N GLY 685.A O no hydrogen 3.165 N/A THR 690.A N ASP 686.A O no hydrogen 3.316 N/A THR 690.A OG1 ASP 686.A O no hydrogen 3.135 N/A PHE 691.A N LEU 687.A O no hydrogen 2.892 N/A SER 692.A N GLN 688.A O no hydrogen 2.901 N/A SER 692.A OG GLN 688.A O no hydrogen 3.148 N/A SER 692.A OG GLN 688.A OE1 no hydrogen 2.849 N/A GLY 693.A N GLU 689.A O no hydrogen 2.941 N/A ASP 695.A N GLU 689.A OE2 no hydrogen 2.809 N/A GLN 696.A N GLY 693.A O no hydrogen 3.127 N/A VAL 697.A N GLY 693.A O no hydrogen 3.351 N/A ARG 698.A N MET 694.A O no hydrogen 2.965 N/A LEU 699.A N ASP 695.A O no hydrogen 2.999 N/A MET 700.A N GLN 696.A O no hydrogen 3.057 N/A LYS 701.A N VAL 697.A O no hydrogen 3.011 N/A ARG 702.A N ARG 698.A O no hydrogen 2.931 N/A ILE 703.A N LEU 699.A O no hydrogen 3.043 N/A ALA 704.A N MET 700.A O no hydrogen 2.908 N/A GLU 705.A N ARG 702.A O no hydrogen 3.092 N/A MET 706.A N ILE 703.A O no hydrogen 3.142 N/A LYS 710.A N ASP 708.A OD1 no hydrogen 3.178 N/A LYS 710.A NZ GLU 648.A OE1 no hydrogen 3.506 N/A ILE 712.A N ILE 709.A O no hydrogen 3.126 N/A LEU 713.A N ILE 709.A O no hydrogen 3.148 N/A ARG 714.A N LYS 710.A O no hydrogen 3.132 N/A HIS 720.A N ILE 718.A O no hydrogen 3.289 N/A HIS 720.A ND1 ARG 717.A O no hydrogen 2.942 N/A LEU 721.A N ILE 718.A O no hydrogen 3.125 N/A ASN 723.A N LEU 721.A O no hydrogen 2.717 N/A ASN 723.A ND2 LYS 719.A O no hydrogen 3.209 N/A GLY 724.A N GLY 752.A O no hydrogen 3.155 N/A ASP 725.A N ASN 723.A OD1 no hydrogen 2.802 N/A ARG 728.A N PHE 555.A O no hydrogen 3.138 N/A ARG 728.A NE PHE 905.A O no hydrogen 3.006 N/A ARG 728.A NH1 GLU 615.A OE2 no hydrogen 2.570 N/A ARG 728.A NH2 GLU 615.A OE1 no hydrogen 3.320 N/A ARG 728.A NH2 GLU 615.A OE2 no hydrogen 2.883 N/A ARG 728.A NH2 PHE 905.A O no hydrogen 3.297 N/A CYS 729.A N PRO 538.A O no hydrogen 2.986 N/A SER 730.A N ARG 553.A O no hydrogen 2.966 N/A VAL 731.A N GLN 540.A O no hydrogen 2.561 N/A ASN 732.A N TYR 551.A O no hydrogen 2.932 N/A ASN 732.A ND2 PRO 898.A O no hydrogen 3.184 N/A GLN 737.A N THR 734.A O no hydrogen 2.832 N/A GLN 737.A NE2 GLN 740.A OE1 no hydrogen 3.038 N/A GLN 740.A N GLN 737.A O no hydrogen 3.152 N/A THR 741.A N GLN 737.A O no hydrogen 3.277 N/A THR 741.A OG1 MET 738.A O no hydrogen 2.846 N/A GLU 742.A N MET 738.A O no hydrogen 3.096 N/A VAL 744.A N THR 741.A O no hydrogen 2.771 N/A GLU 745.A N GLU 742.A O no hydrogen 3.151 N/A PHE 747.A N ALA 743.A O no hydrogen 3.178 N/A LEU 748.A N VAL 744.A O no hydrogen 2.899 N/A ARG 749.A N GLU 745.A O no hydrogen 3.045 N/A ARG 749.A NE GLU 745.A OE2 no hydrogen 3.516 N/A SER 750.A N PHE 747.A O no hydrogen 3.300 N/A SER 750.A OG SER 637.A OG no hydrogen 2.845 N/A SER 750.A OG ASP 746.A O no hydrogen 3.300 N/A SER 750.A OG PHE 747.A O no hydrogen 2.971 N/A ARG 753.A NH1 ASP 536.A OD1 no hydrogen 2.972 N/A ARG 753.A NH1 ASP 536.A OD2 no hydrogen 3.486 N/A ARG 753.A NH2 ALA 534.A O no hydrogen 3.366 N/A ARG 753.A NH2 ASP 536.A OD1 no hydrogen 3.296 N/A SER 754.A OG ASP 725.A OD2 no hydrogen 3.134 N/A ARG 758.A NH1 ASP 725.A OD2 no hydrogen 3.075 N/A VAL 761.A N ASN 559.A O no hydrogen 2.983 N/A ARG 762.A NH2 GLU 563.A OE2 no hydrogen 2.121 N/A VAL 766.A N LEU 776.A O no hydrogen 2.984 N/A LYS 768.A N ARG 774.A O no hydrogen 2.942 N/A LYS 768.A NZ ASP 608.A OD2 no hydrogen 2.967 N/A LYS 768.A NZ TYR 907.A O no hydrogen 3.457 N/A VAL 770.A N VAL 772.A O no hydrogen 3.293 N/A ARG 774.A N LYS 768.A O no hydrogen 3.036 N/A ARG 774.A NH2 HIS 904.A O no hydrogen 2.680 N/A LYS 775.A NZ ASN 726.A OD1 no hydrogen 2.870 N/A LEU 776.A N VAL 766.A O no hydrogen 3.042 N/A VAL 777.A N TYR 614.A O no hydrogen 2.861 N/A MET 778.A N HIS 764.A O no hydrogen 2.989 N/A GLU 779.A N ASP 612.A O no hydrogen 3.083 N/A PHE 782.A N GLU 779.A O no hydrogen 3.109 N/A TRP 785.A N THR 680.A O no hydrogen 3.052 N/A HIS 789.A N ILE 963.A O no hydrogen 2.771 N/A HIS 789.A NE2 GLY 950.A O no hydrogen 3.126 N/A PHE 790.A N ILE 948.A O no hydrogen 2.619 N/A LEU 791.A N ARG 965.A OXT no hydrogen 2.680 N/A MET 792.A N GLY 950.A O no hydrogen 3.026 N/A ASN 797.A N ASP 857.A O no hydrogen 2.656 N/A ASN 797.A ND2 ASP 857.A O no hydrogen 3.051 N/A TYR 798.A N LEU 949.A O no hydrogen 2.888 N/A VAL 799.A N SER 854.A O no hydrogen 3.280 N/A VAL 799.A N SER 854.A OG no hydrogen 3.281 N/A GLY 800.A N ALA 947.A O no hydrogen 3.023 N/A GLU 801.A N LEU 852.A O no hydrogen 2.744 N/A CYS 802.A N GLY 945.A O no hydrogen 2.922 N/A CYS 802.A SG SER 674.A O no hydrogen 3.221 N/A CYS 802.A SG THR 851.A OG1 no hydrogen 3.421 N/A ILE 803.A N PHE 850.A O no hydrogen 2.827 N/A ARG 804.A N THR 943.A O no hydrogen 3.168 N/A ARG 804.A NH1 ASP 612.A OD1 no hydrogen 3.017 N/A ARG 804.A NH1 LEU 681.A O no hydrogen 2.733 N/A ARG 804.A NH2 ASP 612.A OD1 no hydrogen 3.466 N/A ARG 804.A NH2 ASP 612.A OD2 no hydrogen 3.464 N/A THR 805.A N GLY 848.A O no hydrogen 3.023 N/A THR 805.A OG1 VAL 806.A O no hydrogen 3.543 N/A THR 805.A OG1 GLY 848.A O no hydrogen 2.358 N/A THR 809.A N ASP 608.A O no hydrogen 2.998 N/A THR 809.A OG1 ASP 608.A O no hydrogen 3.155 N/A ASP 810.A N PRO 807.A O no hydrogen 3.208 N/A ASP 812.A N ASP 810.A OD1 no hydrogen 2.966 N/A HIS 813.A N ASP 810.A O no hydrogen 2.952 N/A HIS 813.A ND1 HIS 917.A NE2 no hydrogen 3.324 N/A HIS 813.A NE2 SER 845.A O no hydrogen 3.324 N/A LEU 816.A N ASP 812.A O no hydrogen 2.975 N/A LEU 818.A N SER 815.A O no hydrogen 2.859 N/A ALA 819.A N LEU 816.A O no hydrogen 3.056 N/A ARG 820.A NH1 THR 891.A OG1 no hydrogen 3.280 N/A LEU 821.A N ILE 817.A O no hydrogen 2.892 N/A MET 822.A N LEU 818.A O no hydrogen 2.840 N/A THR 823.A N ALA 819.A O no hydrogen 3.021 N/A THR 823.A OG1 ALA 819.A O no hydrogen 2.716 N/A THR 823.A OG1 ALA 842.A O no hydrogen 3.187 N/A ALA 824.A N ARG 820.A O no hydrogen 2.698 N/A LYS 825.A N LEU 821.A O no hydrogen 2.923 N/A PHE 826.A N MET 822.A O no hydrogen 3.096 N/A LEU 827.A N MET 822.A O no hydrogen 2.783 N/A HIS 828.A N THR 823.A O no hydrogen 3.206 N/A GLU 830.A N PHE 826.A O no hydrogen 3.065 N/A ILE 831.A N LEU 827.A O no hydrogen 2.875 N/A ARG 832.A N HIS 828.A O no hydrogen 3.045 N/A ARG 832.A NH1 TYR 838.A O no hydrogen 2.639 N/A ARG 832.A NH2 GLU 147.A OE1 no hydrogen 3.288 N/A GLU 833.A N HIS 828.A O no hydrogen 3.131 N/A LYS 834.A N THR 829.A O no hydrogen 2.882 N/A LYS 834.A NZ GLU 830.A OE2 no hydrogen 2.854 N/A GLY 835.A N GLU 830.A O no hydrogen 3.056 N/A GLY 836.A N ARG 832.A O no hydrogen 2.744 N/A ALA 837.A N ILE 831.A O no hydrogen 3.139 N/A TYR 838.A N TYR 855.A O no hydrogen 3.235 N/A TYR 838.A N ARG 856.A O no hydrogen 3.440 N/A GLY 839.A N TYR 855.A O no hydrogen 3.066 N/A GLY 841.A N TYR 853.A O no hydrogen 3.232 N/A ALA 842.A N THR 823.A OG1 no hydrogen 2.771 N/A LYS 843.A N THR 851.A O no hydrogen 2.883 N/A SER 845.A N ILE 849.A O no hydrogen 3.179 N/A SER 845.A OG ASN 847.A OD1 no hydrogen 2.110 N/A SER 845.A OG ILE 849.A O no hydrogen 3.391 N/A GLY 848.A N SER 845.A O no hydrogen 3.091 N/A ILE 849.A N SER 845.A OG no hydrogen 3.287 N/A ILE 849.A N ASN 847.A OD1 no hydrogen 3.394 N/A PHE 850.A N ILE 803.A O no hydrogen 2.958 N/A THR 851.A N LYS 843.A O no hydrogen 2.815 N/A LEU 852.A N GLU 801.A O no hydrogen 2.793 N/A TYR 853.A N GLY 841.A O no hydrogen 3.076 N/A SER 854.A N VAL 799.A O no hydrogen 2.866 N/A SER 854.A OG ASP 857.A OD2 no hydrogen 3.122 N/A TYR 855.A N GLY 839.A O no hydrogen 2.692 N/A TYR 855.A OH ASP 667.A O no hydrogen 2.797 N/A ARG 856.A NH1 GLU 172.A O no hydrogen 2.916 N/A ARG 856.A NH2 TYR 855.A OH no hydrogen 3.025 N/A ASP 857.A N ASN 797.A O no hydrogen 2.816 N/A ASN 859.A N ASP 857.A OD1 no hydrogen 2.922 N/A GLU 862.A N GLU 862.A OE1 no hydrogen 2.468 N/A THR 863.A OG1 ASP 857.A OD2 no hydrogen 2.012 N/A LEU 864.A N THR 860.A O no hydrogen 3.028 N/A GLN 865.A N ILE 861.A O no hydrogen 2.908 N/A SER 866.A N GLU 862.A O no hydrogen 2.986 N/A SER 866.A OG GLU 862.A O no hydrogen 3.096 N/A PHE 867.A N THR 863.A O no hydrogen 3.098 N/A GLY 868.A N LEU 864.A O no hydrogen 3.323 N/A VAL 870.A N PHE 867.A O no hydrogen 3.383 N/A ASP 871.A N GLY 868.A O no hydrogen 3.184 N/A ALA 873.A N ALA 869.A O no hydrogen 3.009 N/A SER 874.A OG TRP 872.A O no hydrogen 2.522 N/A GLY 875.A N ALA 873.A O no hydrogen 3.320 N/A THR 877.A N ASP 880.A OD2 no hydrogen 3.371 N/A GLN 878.A NE2 ASP 882.A OD1 no hydrogen 3.195 N/A GLN 879.A NE2 GLU 883.A OE2 no hydrogen 3.204 N/A ASP 880.A N THR 877.A OG1 no hydrogen 2.963 N/A ILE 881.A N THR 877.A O no hydrogen 3.257 N/A ASP 882.A N GLN 878.A O no hydrogen 2.898 N/A GLU 883.A N GLN 879.A O no hydrogen 2.806 N/A ALA 884.A N ASP 880.A O no hydrogen 3.065 N/A LYS 885.A N ILE 881.A O no hydrogen 2.998 N/A LYS 885.A NZ PHE 922.A O no hydrogen 2.745 N/A LYS 885.A NZ VAL 924.A O no hydrogen 3.036 N/A LEU 886.A N ASP 882.A O no hydrogen 3.108 N/A SER 887.A N GLU 883.A O no hydrogen 3.118 N/A SER 887.A OG ASN 95.A OD1 no hydrogen 3.205 N/A VAL 888.A N ALA 884.A O no hydrogen 2.961 N/A PHE 889.A N LYS 885.A O no hydrogen 2.926 N/A SER 890.A N LEU 886.A O no hydrogen 2.814 N/A SER 890.A OG SER 99.A O no hydrogen 2.642 N/A THR 891.A N VAL 888.A O no hydrogen 2.862 N/A THR 891.A OG1 SER 887.A O no hydrogen 3.331 N/A VAL 892.A N VAL 888.A O no hydrogen 2.991 N/A ASP 893.A N PHE 889.A O no hydrogen 3.126 N/A ALA 894.A N THR 891.A O no hydrogen 3.343 N/A SER 899.A OG ASP 900.A OD1 no hydrogen 3.458 N/A ASP 900.A N ALA 897.A O no hydrogen 2.865 N/A PHE 905.A N GLY 901.A O no hydrogen 2.903 N/A LEU 906.A N MET 902.A O no hydrogen 2.793 N/A TYR 907.A N ASP 903.A O no hydrogen 3.107 N/A GLY 908.A N HIS 904.A O no hydrogen 3.165 N/A SER 910.A OG GLU 912.A OE1 no hydrogen 3.493 N/A GLU 912.A N GLU 912.A OE1 no hydrogen 2.825 N/A MET 913.A N SER 910.A OG no hydrogen 3.423 N/A LYS 914.A N SER 910.A O no hydrogen 3.343 N/A GLN 915.A N ASP 911.A O no hydrogen 3.073 N/A GLN 915.A NE2 PRO 521.A O no hydrogen 2.859 N/A GLN 915.A NE2 GLU 919.A OE2 no hydrogen 3.280 N/A ALA 916.A N GLU 912.A O no hydrogen 3.071 N/A HIS 917.A N MET 913.A O no hydrogen 3.112 N/A ARG 918.A N LYS 914.A O no hydrogen 2.817 N/A ARG 918.A NE GLU 520.A O no hydrogen 3.176 N/A ARG 918.A NH1 ASP 893.A OD1 no hydrogen 2.608 N/A ARG 918.A NH1 ASP 893.A OD2 no hydrogen 3.181 N/A ARG 918.A NH2 GLU 520.A O no hydrogen 2.461 N/A ARG 918.A NH2 ASP 893.A OD2 no hydrogen 2.945 N/A GLU 919.A N GLN 915.A O no hydrogen 2.890 N/A GLN 920.A N ALA 916.A O no hydrogen 3.158 N/A LEU 921.A N HIS 917.A O no hydrogen 3.095 N/A PHE 922.A N ARG 918.A O no hydrogen 3.299 N/A ALA 923.A N GLU 919.A O no hydrogen 3.181 N/A SER 925.A OG ASP 927.A OD1 no hydrogen 2.265 N/A HIS 926.A NE2 GLY 875.A O no hydrogen 2.863 N/A HIS 926.A NE2 PHE 876.A O no hydrogen 3.085 N/A ASP 927.A N ASP 927.A OD1 no hydrogen 2.529 N/A LEU 929.A N SER 925.A O no hydrogen 3.206 N/A LEU 930.A N HIS 926.A O no hydrogen 3.440 N/A ALA 931.A N ASP 927.A O no hydrogen 3.187 N/A VAL 932.A N LYS 928.A O no hydrogen 3.163 N/A SER 933.A N LEU 929.A O no hydrogen 3.212 N/A ASP 934.A N LEU 930.A O no hydrogen 3.084 N/A ARG 935.A N ALA 931.A O no hydrogen 2.998 N/A ARG 935.A NH1 ASP 812.A OD2 no hydrogen 3.133 N/A TYR 936.A N VAL 932.A O no hydrogen 3.187 N/A TYR 936.A OH ASP 812.A OD2 no hydrogen 2.484 N/A LEU 937.A N SER 933.A O no hydrogen 3.315 N/A LYS 941.A N GLY 938.A O no hydrogen 3.335 N/A SER 942.A OG ARG 804.A O no hydrogen 3.317 N/A SER 942.A OG TYR 936.A O no hydrogen 3.052 N/A HIS 944.A ND1 GLU 801.A OE2 no hydrogen 2.786 N/A GLY 945.A N CYS 802.A O no hydrogen 2.815 N/A LEU 946.A N MET 787.A O no hydrogen 2.931 N/A ALA 947.A N GLY 800.A O no hydrogen 3.038 N/A ILE 948.A N THR 788.A O no hydrogen 2.859 N/A LEU 949.A N TYR 798.A O no hydrogen 2.961 N/A GLY 950.A N PHE 790.A O no hydrogen 3.056 N/A ALA 957.A N ASN 953.A O no hydrogen 2.855 N/A ASP 959.A N ILE 956.A O no hydrogen 3.070 N/A SER 961.A N ASP 959.A OD1 no hydrogen 3.103 N/A SER 961.A OG ASP 959.A OD1 no hydrogen 2.625 N/A TRP 962.A N ASP 959.A O no hydrogen 3.147 N/A ARG 965.A N HIS 789.A O no hydrogen 2.840 N/A