Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6ys2_AAA.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N SER 1.A O no hydrogen 3.460 N/A GLN 6.A N VAL 3.A O no hydrogen 3.214 N/A LYS 7.A NZ LEU 250.A O no hydrogen 3.547 N/A TYR 8.A N GLU 249.A O no hydrogen 3.047 N/A ASP 9.A N ARG 33.A O no hydrogen 2.909 N/A TYR 10.A N ARG 33.A O no hydrogen 3.223 N/A ILE 11.A N GLU 255.A O no hydrogen 3.046 N/A LEU 12.A N LEU 35.A O no hydrogen 2.819 N/A VAL 13.A N ILE 257.A O no hydrogen 2.817 N/A GLY 14.A N LEU 37.A O no hydrogen 2.684 N/A GLY 15.A N GLU 38.A OE1 no hydrogen 2.858 N/A CYS 20.A N GLY 16.A O no hydrogen 2.847 N/A CYS 20.A SG GLY 15.A O no hydrogen 3.585 N/A CYS 20.A SG GLY 16.A O no hydrogen 3.342 N/A LEU 22.A N ALA 18.A O no hydrogen 3.024 N/A ALA 23.A N ALA 19.A O no hydrogen 2.778 N/A ASN 24.A N CYS 20.A O no hydrogen 3.238 N/A ASN 24.A ND2 TYR 204.A O no hydrogen 2.826 N/A ARG 25.A N VAL 21.A O no hydrogen 3.010 N/A ARG 25.A NE GLU 549.A OE1 no hydrogen 2.746 N/A ARG 25.A NH2 GLU 549.A OE1 no hydrogen 3.269 N/A ARG 25.A NH2 GLU 549.A OE2 no hydrogen 2.937 N/A LEU 26.A N LEU 22.A O no hydrogen 2.775 N/A SER 27.A OG ALA 23.A O no hydrogen 2.624 N/A SER 27.A OG ASN 24.A O no hydrogen 3.454 N/A ALA 28.A N ARG 25.A O no hydrogen 3.387 N/A SER 31.A N ASP 29.A OD1 no hydrogen 3.217 N/A SER 31.A OG ASP 29.A OD1 no hydrogen 2.550 N/A ARG 33.A N ASP 9.A OD2 no hydrogen 2.825 N/A ARG 33.A NH2 GLN 6.A OE1 no hydrogen 2.905 N/A VAL 34.A N ASN 213.A O no hydrogen 2.858 N/A LEU 35.A N TYR 10.A O no hydrogen 2.993 N/A VAL 36.A N GLN 215.A O no hydrogen 2.770 N/A LEU 37.A N LEU 12.A O no hydrogen 3.044 N/A GLU 38.A N LEU 217.A O no hydrogen 2.966 N/A GLY 40.A N GLU 38.A OE2 no hydrogen 2.894 N/A ASN 43.A N ASP 42.A OD1 no hydrogen 2.981 N/A ASN 43.A ND2 LEU 87.A O no hydrogen 3.023 N/A ASN 43.A ND2 ASP 199.A OD2 no hydrogen 3.066 N/A ASP 47.A N SER 45.A OG no hydrogen 2.927 N/A VAL 48.A N SER 45.A O no hydrogen 3.148 N/A LYS 49.A NZ THR 44.A O no hydrogen 3.370 N/A ILE 50.A N ARG 46.A O no hydrogen 3.112 N/A ALA 52.A N LEU 346.A O no hydrogen 3.067 N/A ALA 53.A N ILE 50.A O no hydrogen 2.979 N/A ILE 54.A N PRO 51.A O no hydrogen 2.970 N/A THR 55.A N ALA 52.A O no hydrogen 3.417 N/A THR 55.A OG1 ALA 52.A O no hydrogen 2.831 N/A ARG 56.A N ALA 53.A O no hydrogen 2.779 N/A ARG 56.A NH1 ASP 47.A OD1 no hydrogen 2.866 N/A ARG 56.A NH2 GLN 392.A OE1 no hydrogen 2.727 N/A LEU 57.A N ILE 54.A O no hydrogen 2.903 N/A PHE 58.A N ILE 54.A O no hydrogen 3.444 N/A ARG 59.A N TYR 80.A OH no hydrogen 3.009 N/A SER 60.A OG LEU 57.A O no hydrogen 2.705 N/A LEU 62.A N SER 60.A OG no hydrogen 2.911 N/A ASP 63.A N SER 60.A O no hydrogen 3.101 N/A TRP 64.A N ARG 83.A O no hydrogen 2.956 N/A ASN 65.A N ASP 63.A OD2 no hydrogen 2.857 N/A SER 68.A N ILE 79.A O no hydrogen 2.757 N/A SER 68.A OG GLU 69.A O no hydrogen 2.888 N/A SER 68.A OG ILE 79.A O no hydrogen 3.492 N/A GLU 69.A N LEU 430.A O no hydrogen 2.767 N/A GLN 71.A N ARG 77.A O no hydrogen 2.827 N/A GLN 73.A N GLN 73.A OE1 no hydrogen 2.727 N/A GLN 73.A NE2 TYR 434.A O no hydrogen 2.820 N/A LEU 74.A N GLN 71.A O no hydrogen 3.176 N/A ARG 77.A N GLN 71.A O no hydrogen 3.209 N/A ARG 77.A NE LEU 74.A O no hydrogen 3.011 N/A ARG 77.A NE ARG 487.A O no hydrogen 3.344 N/A ARG 77.A NH2 ARG 487.A O no hydrogen 2.918 N/A ARG 77.A NH2 ILE 490.A O no hydrogen 3.031 N/A GLN 78.A NE2 SER 68.A O no hydrogen 2.888 N/A ILE 79.A N SER 68.A OG no hydrogen 2.712 N/A TYR 80.A OH ASP 63.A OD2 no hydrogen 2.631 N/A MET 81.A N LEU 66.A O no hydrogen 2.944 N/A ARG 83.A N ASP 63.A OD1 no hydrogen 2.790 N/A ARG 83.A NE ALA 82.A O no hydrogen 2.731 N/A ARG 83.A NH1 ALA 495.A O no hydrogen 3.379 N/A ARG 83.A NH2 ALA 495.A O no hydrogen 3.253 N/A GLY 84.A N SER 90.A OG no hydrogen 3.104 N/A ARG 85.A N LEU 62.A O no hydrogen 2.862 N/A LEU 87.A N PRO 41.A O no hydrogen 3.179 N/A GLY 88.A N GLY 15.A O no hydrogen 2.892 N/A GLY 89.A N LEU 86.A O no hydrogen 2.898 N/A SER 91.A N GLY 88.A O no hydrogen 3.110 N/A SER 91.A OG GLY 88.A O no hydrogen 2.581 N/A ALA 92.A N GLY 89.A O no hydrogen 3.102 N/A THR 93.A N SER 90.A O no hydrogen 3.155 N/A THR 93.A OG1 SER 90.A O no hydrogen 3.525 N/A THR 96.A N ASN 94.A OD1 no hydrogen 2.883 N/A THR 96.A OG1 ALA 95.A O no hydrogen 2.642 N/A TYR 98.A N GLN 189.A O no hydrogen 2.783 N/A ARG 100.A NE TYR 98.A OH no hydrogen 3.021 N/A ARG 100.A NH1 TYR 137.A O no hydrogen 2.705 N/A ARG 100.A NH2 TYR 98.A OH no hydrogen 2.759 N/A ARG 100.A NH2 TYR 137.A O no hydrogen 2.804 N/A ALA 102.A N ASP 105.A OD2 no hydrogen 2.920 N/A ASP 105.A N ALA 102.A O no hydrogen 2.990 N/A TYR 106.A N ALA 103.A O no hydrogen 2.988 N/A TYR 106.A OH ARG 100.A O no hydrogen 2.720 N/A ASP 107.A N ALA 103.A O no hydrogen 3.130 N/A ALA 108.A N GLY 104.A O no hydrogen 2.923 N/A TRP 109.A N TYR 106.A O no hydrogen 2.945 N/A TRP 109.A NE1 LYS 534.A O no hydrogen 2.821 N/A GLY 110.A N ASP 107.A O no hydrogen 3.142 N/A TRP 114.A N VAL 111.A O no hydrogen 3.155 N/A TRP 114.A NE1 ASN 514.A O no hydrogen 2.979 N/A SER 115.A N ASP 118.A OD2 no hydrogen 3.045 N/A SER 115.A OG ASP 118.A OD2 no hydrogen 3.386 N/A SER 116.A N ASP 107.A OD1 no hydrogen 2.821 N/A SER 116.A OG ASP 107.A OD1 no hydrogen 2.798 N/A SER 116.A OG ASP 107.A OD2 no hydrogen 2.872 N/A ASP 118.A N SER 115.A O no hydrogen 2.987 N/A VAL 119.A N SER 115.A O no hydrogen 3.112 N/A VAL 119.A N SER 116.A O no hydrogen 3.270 N/A LEU 120.A N SER 116.A O no hydrogen 3.192 N/A TRP 122.A N VAL 119.A O no hydrogen 3.052 N/A PHE 123.A N VAL 119.A O no hydrogen 3.349 N/A PHE 123.A N LEU 120.A O no hydrogen 2.962 N/A VAL 124.A N LEU 120.A O no hydrogen 3.273 N/A GLN 125.A N SER 121.A O no hydrogen 2.907 N/A GLU 127.A N VAL 124.A O no hydrogen 3.253 N/A THR 128.A N MET 144.A O no hydrogen 2.982 N/A THR 128.A OG1 GLY 142.A O no hydrogen 2.660 N/A ASN 129.A N GLY 139.A O no hydrogen 3.188 N/A ASN 129.A ND2 GLU 127.A OE2 no hydrogen 2.649 N/A ASN 129.A ND2 GLN 189.A OE1 no hydrogen 2.803 N/A ALA 130.A N VAL 146.A O no hydrogen 2.743 N/A ASP 131.A N ASN 129.A OD1 no hydrogen 2.905 N/A PHE 132.A N ASN 129.A OD1 no hydrogen 2.968 N/A GLY 135.A N HIS 138.A O no hydrogen 2.970 N/A HIS 138.A N GLY 135.A O no hydrogen 3.398 N/A HIS 138.A ND1 GLU 127.A OE1 no hydrogen 3.206 N/A HIS 138.A ND1 GLU 127.A OE2 no hydrogen 2.658 N/A HIS 138.A NE2 ASP 174.A OD2 no hydrogen 2.585 N/A GLY 139.A N GLU 127.A OE1 no hydrogen 2.920 N/A GLY 142.A N GLU 127.A O no hydrogen 2.947 N/A MET 144.A N ALA 126.A O no hydrogen 2.826 N/A ARG 145.A NH1 MET 144.A O no hydrogen 3.385 N/A VAL 146.A N THR 128.A O no hydrogen 3.036 N/A GLU 147.A N VAL 190.A O no hydrogen 2.925 N/A ASN 148.A N ASP 131.A OD2 no hydrogen 2.726 N/A ARG 150.A NE GLY 342.A O no hydrogen 2.760 N/A ARG 150.A NH2 GLY 341.A O no hydrogen 2.876 N/A ARG 150.A NH2 GLY 342.A O no hydrogen 3.534 N/A TYR 151.A OH HIS 322.A ND1 no hydrogen 2.541 N/A ASN 153.A N HIS 157.A ND1 no hydrogen 3.022 N/A ASN 153.A ND2 TYR 151.A OH no hydrogen 2.917 N/A ASN 153.A ND2 ILE 317.A O no hydrogen 2.749 N/A LEU 156.A N ASN 153.A OD1 no hydrogen 3.030 N/A HIS 157.A N ASN 153.A O no hydrogen 2.864 N/A THR 158.A OG1 LYS 154.A O no hydrogen 2.592 N/A ALA 159.A N GLN 155.A O no hydrogen 2.998 N/A PHE 160.A N LEU 156.A O no hydrogen 2.869 N/A PHE 161.A N HIS 157.A O no hydrogen 3.152 N/A LYS 162.A N THR 158.A O no hydrogen 2.884 N/A ALA 163.A N ALA 159.A O no hydrogen 2.910 N/A ALA 164.A N PHE 160.A O no hydrogen 2.885 N/A GLU 165.A N PHE 161.A O no hydrogen 3.089 N/A GLU 166.A N LYS 162.A O no hydrogen 2.848 N/A VAL 167.A N ALA 163.A O no hydrogen 3.051 N/A GLY 168.A N GLU 165.A O no hydrogen 2.873 N/A LEU 169.A N ALA 164.A O no hydrogen 2.922 N/A ASN 172.A N TYR 185.A O no hydrogen 2.734 N/A ASN 172.A ND2 HIS 182.A O no hydrogen 3.138 N/A ASN 172.A ND2 ALA 183.A O no hydrogen 3.573 N/A ASP 174.A N ASN 172.A OD1 no hydrogen 2.874 N/A ASN 176.A N ASP 174.A OD1 no hydrogen 2.957 N/A ASP 177.A N ASP 174.A O no hydrogen 3.104 N/A TRP 178.A NE1 GLY 101.A O no hydrogen 2.993 N/A SER 179.A N ASP 177.A OD1 no hydrogen 2.976 N/A SER 179.A OG ASP 177.A OD1 no hydrogen 2.717 N/A HIS 180.A N ASP 177.A O no hydrogen 2.954 N/A HIS 180.A ND1 ASN 172.A OD1 no hydrogen 3.049 N/A ALA 183.A N ASP 181.A OD2 no hydrogen 3.075 N/A GLY 184.A N PHE 356.A O no hydrogen 2.953 N/A TYR 185.A N THR 170.A O no hydrogen 2.984 N/A GLY 186.A N GLY 354.A O no hydrogen 2.965 N/A PHE 188.A N ASP 352.A O no hydrogen 2.780 N/A GLN 189.A NE2 ASN 129.A OD1 no hydrogen 3.054 N/A GLN 189.A NE2 ASN 148.A OD1 no hydrogen 2.935 N/A VAL 190.A N GLU 147.A O no hydrogen 2.746 N/A MET 191.A N THR 96.A O no hydrogen 2.723 N/A GLN 192.A NE2 THR 96.A OG1 no hydrogen 3.200 N/A GLN 192.A NE2 THR 347.A O no hydrogen 3.159 N/A ASP 193.A N THR 196.A O no hydrogen 2.744 N/A LYS 194.A N GLU 147.A OE1 no hydrogen 2.880 N/A GLY 195.A N GLU 147.A OE2 no hydrogen 2.940 N/A THR 196.A N ASP 193.A O no hydrogen 3.186 N/A ARG 197.A N LYS 49.A O no hydrogen 2.907 N/A ARG 197.A NE VAL 48.A O no hydrogen 2.700 N/A ARG 197.A NH1 SER 91.A O no hydrogen 3.256 N/A ARG 197.A NH1 ASN 94.A O no hydrogen 2.819 N/A ARG 197.A NH1 ASN 94.A OD1 no hydrogen 3.237 N/A ARG 197.A NH2 ASN 94.A O no hydrogen 3.006 N/A ALA 198.A N MET 191.A O no hydrogen 2.906 N/A MET 200.A N SER 91.A OG no hydrogen 3.023 N/A ARG 202.A N ASP 199.A OD1 no hydrogen 2.763 N/A ARG 202.A NH1 ASP 193.A OD2 no hydrogen 3.035 N/A ARG 202.A NH1 GLN 203.A OE1 no hydrogen 2.738 N/A ARG 202.A NH2 ASP 193.A OD2 no hydrogen 3.196 N/A GLN 203.A N ASP 199.A O no hydrogen 3.024 N/A GLN 203.A NE2 PRO 143.A O no hydrogen 2.868 N/A TYR 204.A N MET 200.A O no hydrogen 2.919 N/A TYR 204.A OH GLU 549.A OE2 no hydrogen 2.435 N/A LEU 205.A N MET 200.A O no hydrogen 3.207 N/A LEU 205.A N TYR 201.A O no hydrogen 3.172 N/A LYS 206.A N TYR 201.A O no hydrogen 2.785 N/A VAL 208.A N LEU 205.A O no hydrogen 2.969 N/A ARG 211.A N VAL 208.A O no hydrogen 3.151 N/A ARG 211.A NH1 ASN 24.A O no hydrogen 2.724 N/A ARG 211.A NH1 SER 27.A OG no hydrogen 2.825 N/A ASN 213.A N ASN 213.A OD1 no hydrogen 2.585 N/A ASN 213.A ND2 SER 27.A O no hydrogen 2.795 N/A ASN 213.A ND2 LYS 32.A O no hydrogen 2.838 N/A LEU 214.A N ARG 211.A O no hydrogen 3.151 N/A GLN 215.A N VAL 34.A O no hydrogen 2.745 N/A GLN 215.A NE2 GLN 6.A OE1 no hydrogen 3.582 N/A LEU 217.A N VAL 36.A O no hydrogen 2.860 N/A GLY 219.A N GLY 40.A O no hydrogen 3.068 N/A ALA 220.A N GLU 38.A O no hydrogen 2.786 N/A ALA 221.A N SER 237.A O no hydrogen 3.072 N/A THR 223.A N GLU 235.A O no hydrogen 2.975 N/A THR 223.A OG1 GLU 235.A O no hydrogen 3.307 N/A THR 223.A OG1 GLU 235.A OE2 no hydrogen 3.134 N/A VAL 225.A N SER 272.A OG no hydrogen 2.544 N/A ASP 228.A N GLN 230.A O no hydrogen 2.781 N/A ALA 231.A N GLU 522.A O no hydrogen 3.113 N/A LEU 232.A N ASN 226.A O no hydrogen 2.684 N/A VAL 234.A N ALA 248.A O no hydrogen 3.118 N/A GLU 235.A N LYS 224.A O no hydrogen 2.936 N/A PHE 236.A N LEU 246.A O no hydrogen 3.138 N/A SER 237.A N ALA 221.A O no hydrogen 2.997 N/A SER 237.A OG GLY 240.A O no hydrogen 2.572 N/A ASP 239.A N SER 237.A OG no hydrogen 2.950 N/A GLY 243.A N GLY 240.A O no hydrogen 3.340 N/A ARG 245.A NH1 GLU 235.A OE2 no hydrogen 2.559 N/A LEU 246.A N PHE 236.A O no hydrogen 2.810 N/A SER 247.A OG VAL 234.A O no hydrogen 3.313 N/A ALA 248.A N VAL 234.A O no hydrogen 2.862 N/A LEU 250.A N LEU 232.A O no hydrogen 3.037 N/A ALA 251.A N TYR 8.A O no hydrogen 2.842 N/A GLY 254.A N ALA 251.A O no hydrogen 3.024 N/A GLU 255.A N ASP 9.A O no hydrogen 3.092 N/A VAL 256.A N GLY 523.A O no hydrogen 3.030 N/A ILE 257.A N ILE 11.A O no hydrogen 2.789 N/A MET 258.A N ARG 525.A O no hydrogen 2.756 N/A CYS 259.A N VAL 13.A O no hydrogen 2.803 N/A CYS 259.A SG ILE 257.A O no hydrogen 3.861 N/A CYS 259.A SG VAL 527.A O no hydrogen 3.535 N/A ALA 260.A N THR 265.A OG1 no hydrogen 3.001 N/A GLY 261.A N ASP 528.A OD2 no hydrogen 2.961 N/A THR 265.A N GLY 261.A O no hydrogen 2.806 N/A THR 265.A OG1 ASP 528.A OD2 no hydrogen 2.673 N/A LEU 268.A N HIS 264.A O no hydrogen 2.869 N/A LEU 269.A N THR 265.A O no hydrogen 2.834 N/A LYS 270.A N PRO 266.A O no hydrogen 2.961 N/A LYS 270.A NZ GLU 279.A OE1 no hydrogen 2.585 N/A LYS 270.A NZ GLU 279.A OE2 no hydrogen 3.342 N/A LYS 270.A NZ VAL 417.A O no hydrogen 2.674 N/A HIS 271.A N PHE 267.A O no hydrogen 3.084 N/A SER 272.A N LEU 269.A O no hydrogen 3.033 N/A SER 272.A OG VAL 225.A O no hydrogen 3.539 N/A SER 272.A OG LEU 268.A O no hydrogen 3.007 N/A GLY 273.A N LYS 270.A O no hydrogen 2.896 N/A VAL 274.A N LEU 269.A O no hydrogen 2.705 N/A GLY 275.A N SER 289.A O no hydrogen 2.978 N/A SER 277.A N ASN 290.A OD1 no hydrogen 2.811 N/A SER 277.A OG ASN 290.A OD1 no hydrogen 3.477 N/A LEU 280.A N PRO 276.A O no hydrogen 3.100 N/A LYS 281.A N SER 277.A O no hydrogen 2.639 N/A GLU 282.A N ALA 278.A O no hydrogen 2.916 N/A PHE 283.A N LEU 280.A O no hydrogen 3.014 N/A GLY 284.A N LYS 281.A O no hydrogen 2.881 N/A ILE 285.A N LEU 280.A O no hydrogen 3.096 N/A VAL 288.A N GLY 273.A O no hydrogen 2.742 N/A SER 289.A N GLY 273.A O no hydrogen 2.981 N/A SER 289.A OG HIS 519.A O no hydrogen 3.030 N/A GLY 295.A N THR 499.A O no hydrogen 2.970 N/A GLN 296.A N GLY 293.A O no hydrogen 3.099 N/A ASN 297.A ND2 GLY 498.A O no hydrogen 3.229 N/A ASN 297.A ND2 PRO 533.A O no hydrogen 3.135 N/A LEU 298.A N GLY 415.A O no hydrogen 3.145 N/A GLN 299.A N THR 497.A O no hydrogen 3.033 N/A GLN 301.A N ASP 300.A OD1 no hydrogen 2.977 N/A GLN 301.A NE2 CYS 409.A O no hydrogen 2.994 N/A GLN 301.A NE2 GLY 538.A O no hydrogen 3.101 N/A ALA 303.A N HIS 491.A O no hydrogen 2.830 N/A CYS 304.A N LEU 406.A O no hydrogen 2.896 N/A THR 306.A N MET 404.A O no hydrogen 2.878 N/A ALA 307.A N PHE 471.A O no hydrogen 2.955 N/A ALA 308.A N ILE 402.A O no hydrogen 3.045 N/A VAL 310.A N SER 400.A O no hydrogen 3.131 N/A LYS 311.A N TYR 465.A O no hydrogen 2.687 N/A LYS 311.A NZ SER 463.A O no hydrogen 2.972 N/A LYS 311.A NZ GLU 464.A O no hydrogen 2.749 N/A TYR 314.A N LYS 311.A O no hydrogen 2.926 N/A TYR 314.A OH GLU 464.A OE2 no hydrogen 2.681 N/A ASP 315.A N GLU 312.A O no hydrogen 3.005 N/A GLY 316.A N SER 400.A OG no hydrogen 3.098 N/A ILE 317.A N TYR 314.A O no hydrogen 3.224 N/A ALA 318.A N ASP 321.A OD2 no hydrogen 2.962 N/A ILE 319.A N PRO 373.A O no hydrogen 2.797 N/A ASP 321.A N ALA 318.A O no hydrogen 2.980 N/A HIS 322.A N ALA 318.A O no hydrogen 3.187 N/A HIS 322.A N ILE 319.A O no hydrogen 2.972 N/A HIS 322.A ND1 TYR 151.A OH no hydrogen 2.541 N/A ILE 323.A N ILE 319.A O no hydrogen 3.029 N/A TYR 324.A N SER 320.A O no hydrogen 3.012 N/A TYR 324.A OH PHE 388.A O no hydrogen 2.654 N/A ASN 325.A N GLN 329.A O no hydrogen 2.853 N/A GLU 326.A N GLU 326.A OE1 no hydrogen 3.028 N/A LYS 327.A N ASN 325.A OD1 no hydrogen 2.976 N/A GLY 328.A N ASN 325.A O no hydrogen 2.914 N/A GLN 329.A N ASN 325.A OD1 no hydrogen 2.935 N/A ARG 331.A N ILE 323.A O no hydrogen 2.706 N/A ARG 331.A NE ASP 321.A O no hydrogen 2.772 N/A ARG 331.A NH2 ASP 321.A O no hydrogen 3.257 N/A ILE 335.A N ARG 331.A O no hydrogen 3.048 N/A ALA 336.A N LYS 332.A O no hydrogen 3.089 N/A SER 337.A N ARG 333.A O no hydrogen 3.094 N/A SER 337.A OG ARG 333.A O no hydrogen 3.156 N/A TYR 338.A N ALA 334.A O no hydrogen 2.998 N/A TYR 338.A OH GLY 195.A O no hydrogen 3.104 N/A LEU 339.A N ILE 335.A O no hydrogen 2.931 N/A LEU 340.A N ALA 336.A O no hydrogen 2.914 N/A GLY 341.A N SER 337.A O no hydrogen 3.057 N/A GLY 342.A N TYR 338.A O no hydrogen 2.819 N/A ARG 343.A N SER 337.A O no hydrogen 2.953 N/A ARG 343.A NH1 ARG 150.A O no hydrogen 3.400 N/A THR 347.A N GLY 344.A O no hydrogen 3.007 N/A THR 347.A OG1 GLY 344.A O no hydrogen 2.697 N/A SER 348.A N GLY 345.A O no hydrogen 2.972 N/A THR 349.A OG1 ALA 95.A O no hydrogen 2.763 N/A GLY 350.A N SER 348.A OG no hydrogen 2.871 N/A CYS 351.A SG THR 349.A O no hydrogen 3.879 N/A ARG 353.A NH1 TYR 151.A O no hydrogen 2.897 N/A ARG 353.A NH1 ASP 352.A OD1 no hydrogen 2.931 N/A ARG 353.A NH2 TYR 151.A O no hydrogen 2.670 N/A GLY 354.A N GLY 186.A O no hydrogen 3.037 N/A ALA 355.A N VAL 369.A O no hydrogen 2.990 N/A PHE 356.A N GLY 184.A O no hydrogen 3.025 N/A VAL 357.A N LEU 367.A O no hydrogen 2.724 N/A ARG 358.A NE GLN 362.A O no hydrogen 2.867 N/A ARG 358.A NE ALA 363.A O no hydrogen 3.294 N/A ARG 358.A NH1 ASP 181.A OD1 no hydrogen 3.565 N/A ARG 358.A NH1 ASP 181.A OD2 no hydrogen 2.839 N/A ARG 358.A NH2 ASP 181.A OD1 no hydrogen 2.763 N/A ARG 358.A NH2 ASP 181.A OD2 no hydrogen 3.554 N/A ARG 358.A NH2 ALA 363.A O no hydrogen 2.833 N/A THR 359.A N ASP 366.A OD1 no hydrogen 2.800 N/A THR 359.A OG1 ASP 366.A OD1 no hydrogen 3.225 N/A THR 359.A OG1 ASP 366.A OD2 no hydrogen 2.471 N/A ALA 360.A N GLN 362.A OE1 no hydrogen 2.871 N/A GLN 362.A N GLN 362.A OE1 no hydrogen 2.642 N/A GLN 362.A NE2 THR 359.A OG1 no hydrogen 3.114 N/A LEU 367.A N VAL 357.A O no hydrogen 3.132 N/A GLN 368.A N ILE 407.A O no hydrogen 2.907 N/A GLN 368.A NE2 GLN 539.A OE1 no hydrogen 2.941 N/A VAL 369.A N ALA 355.A O no hydrogen 2.829 N/A ALA 370.A N GLN 405.A O no hydrogen 2.937 N/A PHE 371.A N ARG 353.A O no hydrogen 2.793 N/A VAL 372.A N THR 403.A O no hydrogen 2.878 N/A ALA 376.A N THR 403.A OG1 no hydrogen 2.936 N/A ASP 378.A N THR 384.A OG1 no hydrogen 3.127 N/A ASP 380.A N ASP 378.A OD1 no hydrogen 2.882 N/A SER 383.A N ASP 380.A OD1 no hydrogen 3.115 N/A THR 384.A N ASP 380.A O no hydrogen 3.003 N/A THR 384.A OG1 ASP 378.A O no hydrogen 2.875 N/A THR 384.A OG1 ASP 380.A O no hydrogen 3.332 N/A TYR 385.A N GLY 381.A O no hydrogen 3.103 N/A TYR 385.A OH THR 349.A O no hydrogen 2.634 N/A VAL 386.A N VAL 382.A O no hydrogen 3.110 N/A ARG 387.A N SER 383.A O no hydrogen 2.887 N/A ARG 387.A NE ASP 378.A OD2 no hydrogen 3.078 N/A ARG 387.A NH2 ASP 378.A OD2 no hydrogen 3.067 N/A PHE 388.A N THR 384.A O no hydrogen 2.782 N/A ALA 389.A N TYR 385.A O no hydrogen 3.046 N/A LYS 390.A N VAL 386.A O no hydrogen 2.980 N/A GLN 392.A N ALA 389.A O no hydrogen 3.250 N/A SER 393.A N GLY 328.A O no hydrogen 2.787 N/A SER 393.A OG GLN 329.A OE1 no hydrogen 2.975 N/A GLN 394.A N PHE 391.A O no hydrogen 3.296 N/A GLN 394.A NE2 GLN 392.A O no hydrogen 3.211 N/A GLY 395.A N LYS 327.A O no hydrogen 2.884 N/A LYS 397.A NZ ASP 321.A OD1 no hydrogen 2.859 N/A LYS 397.A NZ TRP 398.A O no hydrogen 3.230 N/A TRP 398.A NE1 MET 375.A O no hydrogen 2.895 N/A SER 400.A OG ASP 321.A OD1 no hydrogen 3.124 N/A SER 400.A OG ASP 321.A OD2 no hydrogen 2.534 N/A ILE 402.A N ALA 308.A O no hydrogen 2.850 N/A THR 403.A N VAL 372.A O no hydrogen 2.982 N/A THR 403.A OG1 GLY 374.A O no hydrogen 2.711 N/A MET 404.A N THR 306.A O no hydrogen 2.972 N/A GLN 405.A N ALA 370.A O no hydrogen 2.905 N/A GLN 405.A NE2 HIS 491.A NE2 no hydrogen 2.952 N/A LEU 406.A N CYS 304.A O no hydrogen 2.792 N/A ILE 407.A N GLN 368.A O no hydrogen 2.897 N/A ALA 408.A N PRO 302.A O no hydrogen 3.040 N/A CYS 409.A N ASP 366.A O no hydrogen 3.066 N/A CYS 409.A SG PRO 365.A O no hydrogen 3.503 N/A ARG 410.A NE ASP 105.A OD1 no hydrogen 2.702 N/A ARG 410.A NH1 PRO 365.A O no hydrogen 2.838 N/A ARG 410.A NH2 ASP 105.A OD1 no hydrogen 3.498 N/A ARG 410.A NH2 ASP 105.A OD2 no hydrogen 2.758 N/A GLN 412.A N ASP 442.A OD1 no hydrogen 2.830 N/A GLN 412.A N ASP 442.A OD2 no hydrogen 3.212 N/A SER 413.A N ASP 442.A OD2 no hydrogen 2.871 N/A SER 413.A OG ASP 437.A OD1 no hydrogen 3.199 N/A SER 413.A OG ASP 442.A OD2 no hydrogen 2.755 N/A GLY 415.A N LEU 298.A O no hydrogen 2.792 N/A SER 416.A N SER 431.A O no hydrogen 2.701 N/A VAL 417.A N GLY 295.A O no hydrogen 2.751 N/A GLY 418.A N LYS 429.A O no hydrogen 2.734 N/A ASP 423.A N SER 421.A OG no hydrogen 3.283 N/A PHE 425.A N ASP 423.A OD1 no hydrogen 3.028 N/A ALA 426.A N ASP 423.A O no hydrogen 3.072 N/A LYS 429.A N GLY 418.A O no hydrogen 2.595 N/A SER 431.A N SER 416.A O no hydrogen 2.757 N/A SER 431.A OG GLN 71.A OE1 no hydrogen 3.462 N/A TYR 434.A OH ASP 300.A OD2 no hydrogen 2.445 N/A THR 436.A N SER 413.A OG no hydrogen 3.078 N/A THR 436.A OG1 GLY 433.A O no hydrogen 2.709 N/A ASP 437.A N SER 413.A OG no hydrogen 2.975 N/A GLY 440.A N ASP 437.A O no hydrogen 3.093 N/A ALA 441.A N ASP 437.A OD2 no hydrogen 2.767 N/A ASP 442.A N ASP 437.A OD1 no hydrogen 3.181 N/A ALA 444.A N GLY 440.A O no hydrogen 3.044 N/A THR 445.A N ALA 441.A O no hydrogen 2.820 N/A THR 445.A OG1 ASP 366.A OD2 no hydrogen 2.658 N/A THR 445.A OG1 ALA 441.A O no hydrogen 3.091 N/A LEU 446.A N ASP 442.A O no hydrogen 3.086 N/A ARG 447.A N LEU 443.A O no hydrogen 2.801 N/A ARG 447.A NE ASP 483.A OD1 no hydrogen 2.760 N/A ARG 447.A NE ASP 483.A OD2 no hydrogen 3.481 N/A ARG 447.A NH2 ASP 483.A OD1 no hydrogen 3.417 N/A ARG 447.A NH2 ASP 483.A OD2 no hydrogen 3.096 N/A LYS 448.A N ALA 444.A O no hydrogen 2.874 N/A GLY 449.A N THR 445.A O no hydrogen 2.821 N/A ILE 450.A N LEU 446.A O no hydrogen 2.867 N/A HIS 451.A N ARG 447.A O no hydrogen 3.150 N/A HIS 451.A NE2 ASP 479.A OD1 no hydrogen 2.854 N/A TRP 452.A N LYS 448.A O no hydrogen 2.801 N/A ALA 453.A N GLY 449.A O no hydrogen 2.868 N/A ARG 454.A N ILE 450.A O no hydrogen 2.983 N/A ARG 454.A NE GLU 469.A OE2 no hydrogen 2.981 N/A ARG 454.A NH1 VAL 476.A O no hydrogen 2.955 N/A ARG 454.A NH2 GLU 469.A OE1 no hydrogen 2.744 N/A ARG 454.A NH2 VAL 476.A O no hydrogen 2.849 N/A ASP 455.A N HIS 451.A O no hydrogen 2.994 N/A VAL 456.A N TRP 452.A O no hydrogen 2.913 N/A ALA 457.A N ALA 453.A O no hydrogen 2.954 N/A ARG 458.A N ARG 454.A O no hydrogen 2.972 N/A ARG 458.A NH1 ASP 455.A OD1 no hydrogen 3.117 N/A SER 459.A N ASP 455.A O no hydrogen 2.970 N/A SER 459.A N VAL 456.A O no hydrogen 3.185 N/A SER 459.A OG VAL 456.A O no hydrogen 2.611 N/A SER 460.A N GLU 166.A OE1 no hydrogen 2.904 N/A SER 460.A OG GLU 166.A OE1 no hydrogen 2.810 N/A SER 460.A OG GLU 166.A OE2 no hydrogen 2.995 N/A ALA 461.A N GLU 166.A OE2 no hydrogen 3.039 N/A LEU 462.A N SER 459.A OG no hydrogen 3.172 N/A SER 463.A N SER 459.A O no hydrogen 2.792 N/A SER 463.A OG ARG 458.A O no hydrogen 2.867 N/A SER 463.A OG SER 459.A O no hydrogen 2.710 N/A GLU 464.A N SER 460.A O no hydrogen 3.258 N/A TYR 465.A N LEU 462.A O no hydrogen 2.786 N/A LEU 466.A N LEU 462.A O no hydrogen 2.986 N/A ASP 467.A N PRO 309.A O no hydrogen 2.877 N/A LEU 470.A N ALA 307.A O no hydrogen 2.720 N/A PHE 471.A N ALA 307.A O no hydrogen 3.108 N/A GLY 473.A N GLU 469.A OE1 no hydrogen 2.738 N/A VAL 476.A N GLY 473.A O no hydrogen 2.967 N/A VAL 477.A N GLN 481.A OE1 no hydrogen 2.892 N/A SER 478.A N GLN 481.A OE1 no hydrogen 2.957 N/A GLN 481.A N SER 478.A OG no hydrogen 3.081 N/A ILE 482.A N SER 478.A O no hydrogen 2.984 N/A ASP 483.A N ASP 479.A O no hydrogen 2.856 N/A GLU 484.A N ASP 480.A O no hydrogen 2.988 N/A TYR 485.A N GLN 481.A O no hydrogen 2.950 N/A TYR 485.A OH LEU 305.A O no hydrogen 2.742 N/A ILE 486.A N ILE 482.A O no hydrogen 2.933 N/A ARG 487.A N ASP 483.A O no hydrogen 2.966 N/A ARG 487.A NH1 GLU 484.A OE1 no hydrogen 3.505 N/A ARG 488.A N GLU 484.A O no hydrogen 3.049 N/A SER 489.A N ILE 486.A O no hydrogen 3.217 N/A SER 489.A OG TYR 485.A O no hydrogen 2.623 N/A ILE 490.A N ILE 486.A O no hydrogen 2.807 N/A HIS 491.A N ALA 303.A O no hydrogen 3.027 N/A HIS 491.A ND1 SER 489.A O no hydrogen 2.851 N/A SER 492.A OG ASP 300.A OD1 no hydrogen 3.415 N/A SER 492.A OG ASP 300.A OD2 no hydrogen 2.575 N/A SER 492.A OG TYR 434.A OH no hydrogen 3.394 N/A SER 492.A OG ASN 494.A OD1 no hydrogen 3.225 N/A SER 493.A N GLN 301.A O no hydrogen 2.987 N/A SER 493.A OG GLN 301.A O no hydrogen 2.917 N/A ASN 494.A N SER 492.A OG no hydrogen 2.801 N/A ALA 495.A N ASP 300.A OD1 no hydrogen 2.832 N/A THR 497.A N GLN 299.A O no hydrogen 2.898 N/A GLY 498.A N ALA 529.A O no hydrogen 3.069 N/A THR 499.A OG1 ALA 262.A O no hydrogen 2.611 N/A CYS 500.A N SER 530.A O no hydrogen 2.813 N/A LYS 501.A NZ SER 509.A OG no hydrogen 2.986 N/A MET 502.A N VAL 531.A O no hydrogen 2.910 N/A GLY 503.A N VAL 512.A O no hydrogen 3.006 N/A SER 509.A N ASP 507.A OD1 no hydrogen 2.842 N/A SER 509.A OG ASP 507.A OD1 no hydrogen 2.578 N/A SER 510.A N ASP 507.A O no hydrogen 3.236 N/A SER 510.A OG ASP 507.A O no hydrogen 3.108 N/A SER 510.A OG HIS 519.A NE2 no hydrogen 2.760 N/A VAL 511.A N LYS 501.A O no hydrogen 2.797 N/A VAL 512.A N LYS 501.A O no hydrogen 3.258 N/A ASP 513.A N ARG 517.A O no hydrogen 3.031 N/A ASN 514.A ND2 GLU 112.A O no hydrogen 3.071 N/A GLN 515.A N ASP 513.A OD1 no hydrogen 3.233 N/A GLN 515.A NE2 ASN 514.A OD1 no hydrogen 3.131 N/A LEU 516.A N ASP 513.A O no hydrogen 2.937 N/A ARG 517.A N ASP 513.A OD1 no hydrogen 2.637 N/A ARG 517.A NE ASP 513.A OD2 no hydrogen 3.045 N/A ARG 517.A NH2 ASP 513.A OD2 no hydrogen 3.302 N/A VAL 518.A N LEU 524.A O no hydrogen 2.991 N/A HIS 519.A N VAL 511.A O no hydrogen 3.165 N/A HIS 519.A NE2 SER 510.A OG no hydrogen 2.760 N/A VAL 521.A N VAL 518.A O no hydrogen 3.287 N/A GLU 522.A N ALA 229.A O no hydrogen 3.149 N/A ARG 525.A N VAL 256.A O no hydrogen 2.941 N/A ARG 525.A NE GLU 255.A OE1 no hydrogen 2.980 N/A ARG 525.A NH1 GLN 515.A O no hydrogen 2.984 N/A ARG 525.A NH2 GLU 255.A OE1 no hydrogen 3.467 N/A ARG 525.A NH2 GLU 255.A OE2 no hydrogen 2.846 N/A VAL 526.A N LEU 516.A O no hydrogen 3.009 N/A VAL 527.A N MET 258.A O no hydrogen 2.895 N/A SER 530.A N ASP 528.A OD1 no hydrogen 2.821 N/A SER 530.A OG ASP 528.A OD1 no hydrogen 2.587 N/A SER 530.A OG ASP 528.A OD2 no hydrogen 3.519 N/A VAL 531.A N ASP 528.A O no hydrogen 3.430 N/A VAL 532.A N ALA 529.A O no hydrogen 3.321 N/A ILE 535.A N GLN 299.A OE1 no hydrogen 2.760 N/A GLY 537.A N ASP 105.A OD2 no hydrogen 3.196 N/A GLN 539.A NE2 GLN 368.A OE1 no hydrogen 2.980 N/A VAL 544.A N THR 540.A O no hydrogen 3.179 N/A VAL 545.A N GLY 541.A O no hydrogen 3.187 N/A MET 546.A N ALA 542.A O no hydrogen 3.021 N/A ILE 547.A N PRO 543.A O no hydrogen 3.045 N/A ALA 548.A N VAL 544.A O no hydrogen 2.933 N/A GLU 549.A N VAL 545.A O no hydrogen 2.841 N/A ARG 550.A N MET 546.A O no hydrogen 3.049 N/A ARG 550.A NH1 GLY 113.A O no hydrogen 2.510 N/A ARG 550.A NH2 GLY 113.A O no hydrogen 2.607 N/A ALA 551.A N ILE 547.A O no hydrogen 2.780 N/A ALA 552.A N ALA 548.A O no hydrogen 3.019 N/A ALA 553.A N GLU 549.A O no hydrogen 3.055 N/A LEU 554.A N ARG 550.A O no hydrogen 3.049 N/A LEU 555.A N ALA 551.A O no hydrogen 2.858 N/A THR 556.A N ALA 552.A O no hydrogen 2.989 N/A THR 556.A OG1 ALA 552.A O no hydrogen 2.872 N/A GLY 557.A N LEU 554.A O no hydrogen 3.109 N/A LYS 558.A N ALA 553.A O no hydrogen 2.714 N/A ALA 559.A N ALA 553.A O no hydrogen 2.903 N/A