Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8pll_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 ASN 50.A OD1 no hydrogen 2.282 N/A GLN 4.A N GLN 4.A OE1 no hydrogen 2.687 N/A TRP 5.A N GLY 1.A O no hydrogen 2.956 N/A TRP 5.A NE1 GLY 453.A O no hydrogen 3.014 N/A LEU 6.A N THR 2.A O no hydrogen 3.005 N/A ARG 7.A N SER 3.A O no hydrogen 3.146 N/A LYS 8.A N GLN 4.A O no hydrogen 3.153 N/A THR 9.A N TRP 5.A O no hydrogen 3.023 N/A THR 9.A OG1 TRP 5.A O no hydrogen 2.931 N/A VAL 10.A N LEU 6.A O no hydrogen 3.014 N/A ASP 11.A N ARG 7.A O no hydrogen 3.154 N/A SER 12.A N LYS 8.A O no hydrogen 3.298 N/A SER 12.A OG LYS 8.A O no hydrogen 3.359 N/A SER 12.A OG LEU 450.A O no hydrogen 2.521 N/A ALA 13.A N THR 9.A O no hydrogen 3.068 N/A ILE 16.A N PHE 71.A O no hydrogen 3.082 N/A LEU 17.A N ALA 41.A O no hydrogen 2.875 N/A PHE 18.A N GLN 69.A O no hydrogen 2.974 N/A SER 19.A N ILE 43.A O no hydrogen 3.004 N/A SER 19.A OG LYS 20.A O no hydrogen 3.336 N/A SER 19.A OG GLU 44.A OE1 no hydrogen 3.105 N/A LYS 20.A NZ GLN 55.A OE1 no hydrogen 3.037 N/A THR 21.A N ASP 46.A OD1 no hydrogen 3.022 N/A THR 21.A OG1 ASP 46.A OD2 no hydrogen 2.598 N/A CYS 23.A N LYS 20.A O no hydrogen 3.271 N/A LYS 27.A N CYS 23.A O no hydrogen 3.089 N/A LYS 27.A NZ ASP 31.A OD1 no hydrogen 2.917 N/A LYS 27.A NZ ASP 31.A OD2 no hydrogen 3.171 N/A LYS 28.A N PRO 24.A O no hydrogen 3.079 N/A VAL 29.A N TYR 25.A O no hydrogen 3.203 N/A LYS 30.A N CYS 26.A O no hydrogen 2.951 N/A LYS 30.A NZ SER 19.A OG no hydrogen 3.315 N/A LYS 30.A NZ GLU 44.A OE2 no hydrogen 2.797 N/A ASP 31.A N LYS 27.A O no hydrogen 2.938 N/A VAL 32.A N LYS 28.A O no hydrogen 3.069 N/A LEU 33.A N VAL 29.A O no hydrogen 2.964 N/A ALA 34.A N LYS 30.A O no hydrogen 2.830 N/A GLU 35.A N ASP 31.A O no hydrogen 2.900 N/A ALA 36.A N VAL 32.A O no hydrogen 3.037 N/A LYS 37.A N ALA 34.A O no hydrogen 3.392 N/A ILE 38.A N LEU 33.A O no hydrogen 3.003 N/A LYS 39.A NZ ALA 122.A O no hydrogen 3.149 N/A LYS 39.A NZ GLN 215.A OE1 no hydrogen 2.870 N/A HIS 40.A ND1 ALA 41.A O no hydrogen 3.100 N/A ALA 41.A N VAL 15.A O no hydrogen 2.947 N/A THR 42.A OG1 HIS 40.A ND1 no hydrogen 3.271 N/A ILE 43.A N LEU 17.A O no hydrogen 2.960 N/A LEU 45.A N SER 19.A O no hydrogen 2.774 N/A GLN 47.A N GLU 44.A O no hydrogen 3.039 N/A LEU 48.A N LEU 45.A O no hydrogen 3.414 N/A GLY 51.A N LEU 48.A O no hydrogen 2.975 N/A ILE 54.A N ASN 50.A O no hydrogen 3.109 N/A GLN 55.A N GLY 51.A O no hydrogen 2.901 N/A GLN 55.A NE2 GLU 65.A O no hydrogen 2.972 N/A LYS 56.A N SER 52.A O no hydrogen 3.323 N/A LYS 56.A NZ SER 52.A O no hydrogen 3.220 N/A CYS 57.A N ALA 53.A O no hydrogen 3.016 N/A CYS 57.A SG ALA 53.A O no hydrogen 3.584 N/A LEU 58.A N ILE 54.A O no hydrogen 3.030 N/A ALA 59.A N LYS 56.A O no hydrogen 3.198 N/A SER 60.A N CYS 57.A O no hydrogen 3.069 N/A SER 60.A OG CYS 57.A O no hydrogen 3.345 N/A PHE 61.A N LEU 58.A O no hydrogen 2.919 N/A SER 62.A N LEU 58.A O no hydrogen 3.181 N/A SER 62.A OG LEU 58.A O no hydrogen 3.264 N/A SER 62.A OG ILE 64.A O no hydrogen 3.128 N/A SER 62.A OG GLN 69.A OE1 no hydrogen 2.576 N/A LYS 63.A N ALA 59.A O no hydrogen 2.860 N/A ILE 64.A N SER 62.A OG no hydrogen 3.269 N/A GLN 69.A N PHE 18.A O no hydrogen 3.245 N/A GLN 69.A NE2 ILE 64.A O no hydrogen 3.327 N/A GLN 69.A NE2 THR 66.A O no hydrogen 2.835 N/A MET 70.A N GLY 78.A O no hydrogen 3.119 N/A PHE 71.A N ILE 16.A O no hydrogen 3.014 N/A VAL 72.A N LYS 75.A O no hydrogen 2.946 N/A ARG 73.A N ALA 14.A O no hydrogen 2.945 N/A ARG 73.A NE ASP 104.A OD1 no hydrogen 2.753 N/A ARG 73.A NE ASP 104.A OD2 no hydrogen 3.395 N/A ARG 73.A NH1 VAL 96.A O no hydrogen 3.138 N/A ARG 73.A NH1 GLU 98.A O no hydrogen 3.066 N/A ARG 73.A NH2 ASP 104.A OD2 no hydrogen 2.938 N/A LYS 75.A N VAL 72.A O no hydrogen 3.167 N/A ILE 77.A N MET 70.A O no hydrogen 2.782 N/A THR 82.A N ASP 79.A OD1 no hydrogen 3.166 N/A THR 82.A OG1 ASP 79.A OD1 no hydrogen 3.255 N/A VAL 83.A N ASP 79.A O no hydrogen 3.030 N/A LEU 84.A N SER 80.A O no hydrogen 3.126 N/A LYS 85.A N GLN 81.A O no hydrogen 2.934 N/A LYS 85.A NZ GLU 91.A OE1 no hydrogen 3.000 N/A TYR 86.A N THR 82.A O no hydrogen 3.023 N/A TYR 87.A N VAL 83.A O no hydrogen 2.990 N/A TYR 87.A OH GLU 35.A OE1 no hydrogen 2.399 N/A SER 88.A N LEU 84.A O no hydrogen 2.897 N/A SER 88.A OG LEU 84.A O no hydrogen 2.806 N/A ASN 89.A N LYS 85.A O no hydrogen 3.186 N/A ASN 89.A ND2 LYS 85.A O no hydrogen 2.752 N/A ASP 90.A N TYR 87.A O no hydrogen 3.144 N/A GLU 91.A N TYR 86.A O no hydrogen 2.753 N/A ILE 95.A N GLU 91.A O no hydrogen 3.280 N/A VAL 96.A N LEU 92.A O no hydrogen 3.029 N/A GLU 98.A N ILE 95.A O no hydrogen 3.276 N/A SER 99.A OG TYR 101.A O no hydrogen 3.196 N/A TYR 101.A N SER 99.A OG no hydrogen 2.842 N/A ASP 102.A N THR 244.A OG1 no hydrogen 3.117 N/A TYR 103.A N THR 244.A O no hydrogen 3.123 N/A ASP 104.A N LYS 127.A O no hydrogen 2.757 N/A LEU 105.A N LYS 127.A O no hydrogen 3.169 N/A ILE 106.A N LYS 247.A O no hydrogen 3.078 N/A VAL 107.A N ALA 129.A O no hydrogen 2.893 N/A ILE 108.A N ILE 249.A O no hydrogen 2.994 N/A GLY 109.A N LEU 131.A O no hydrogen 2.739 N/A GLY 110.A N ASP 132.A OD1 no hydrogen 2.858 N/A SER 112.A OG THR 436.A OG1 no hydrogen 3.148 N/A LEU 115.A N GLY 111.A O no hydrogen 2.886 N/A ALA 116.A N SER 112.A O no hydrogen 3.396 N/A ALA 117.A N GLY 113.A O no hydrogen 2.912 N/A GLY 118.A N GLY 114.A O no hydrogen 3.014 N/A LYS 119.A N LEU 115.A O no hydrogen 3.100 N/A GLU 120.A N ALA 116.A O no hydrogen 3.206 N/A ALA 121.A N ALA 117.A O no hydrogen 3.006 N/A ALA 122.A N GLY 118.A O no hydrogen 3.155 N/A LYS 123.A N GLU 120.A O no hydrogen 3.205 N/A LYS 123.A NZ ASN 214.A OD1 no hydrogen 3.353 N/A TYR 124.A N ALA 121.A O no hydrogen 3.080 N/A TYR 124.A OH GLU 120.A OE2 no hydrogen 3.211 N/A GLY 125.A N ALA 122.A O no hydrogen 3.131 N/A LYS 127.A N ASP 104.A OD2 no hydrogen 2.950 N/A THR 128.A OG1 ALA 126.A O no hydrogen 2.868 N/A ALA 129.A N LEU 105.A O no hydrogen 3.058 N/A VAL 130.A N THR 217.A O no hydrogen 2.880 N/A LEU 131.A N VAL 107.A O no hydrogen 2.857 N/A ASP 132.A N LEU 219.A O no hydrogen 3.112 N/A TYR 133.A OH GLU 135.A OE2 no hydrogen 2.993 N/A THR 137.A N THR 141.A O no hydrogen 3.011 N/A THR 137.A OG1 THR 141.A OG1 no hydrogen 3.368 N/A THR 137.A OG1 ASP 273.A OD1 no hydrogen 2.686 N/A GLY 140.A N THR 137.A O no hydrogen 2.873 N/A THR 141.A N THR 137.A OG1 no hydrogen 3.151 N/A THR 141.A OG1 THR 137.A OG1 no hydrogen 3.368 N/A THR 141.A OG1 ASP 273.A OD1 no hydrogen 2.678 N/A THR 142.A OG1 VAL 134.A O no hydrogen 3.506 N/A GLY 146.A N GLY 110.A O no hydrogen 3.201 N/A ASN 151.A N GLY 147.A O no hydrogen 3.252 N/A ASN 151.A ND2 GLY 144.A O no hydrogen 3.075 N/A ASN 151.A ND2 GLY 147.A O no hydrogen 2.929 N/A VAL 152.A N THR 148.A O no hydrogen 2.838 N/A CYS 154.A SG THR 436.A OG1 no hydrogen 3.692 N/A ILE 155.A N CYS 149.A O no hydrogen 3.159 N/A LYS 157.A N GLY 153.A O no hydrogen 3.013 N/A LYS 158.A N CYS 154.A O no hydrogen 2.953 N/A LEU 159.A N ILE 155.A O no hydrogen 3.148 N/A MET 160.A N PRO 156.A O no hydrogen 2.950 N/A HIS 161.A N LYS 157.A O no hydrogen 2.928 N/A HIS 161.A NE2 GLU 472.A OE2 no hydrogen 2.829 N/A GLN 162.A N LYS 158.A O no hydrogen 2.869 N/A ALA 163.A N LEU 159.A O no hydrogen 3.049 N/A GLY 164.A N MET 160.A O no hydrogen 3.058 N/A LEU 165.A N HIS 161.A O no hydrogen 2.873 N/A LEU 166.A N GLN 162.A O no hydrogen 3.014 N/A SER 167.A N GLY 164.A O no hydrogen 3.055 N/A SER 167.A OG SER 302.A O no hydrogen 3.454 N/A HIS 168.A N LEU 165.A O no hydrogen 3.011 N/A ALA 169.A N LEU 165.A O no hydrogen 3.120 N/A LEU 170.A N LEU 166.A O no hydrogen 2.887 N/A GLU 171.A N SER 167.A O no hydrogen 3.245 N/A ASP 172.A N HIS 168.A O no hydrogen 2.842 N/A ALA 173.A N ALA 169.A O no hydrogen 2.937 N/A PHE 176.A N ASP 172.A O no hydrogen 3.245 N/A GLY 177.A N GLU 174.A O no hydrogen 3.088 N/A TRP 178.A N ALA 173.A O no hydrogen 2.935 N/A ARG 182.A N GLU 174.A OE2 no hydrogen 2.702 N/A ARG 182.A NH1 ARG 182.A O no hydrogen 2.888 N/A SER 183.A N ASP 181.A OD1 no hydrogen 3.196 N/A SER 183.A OG ASP 181.A OD1 no hydrogen 2.939 N/A LYS 184.A N ASP 181.A O no hydrogen 2.975 N/A ILE 185.A N ARG 182.A O no hydrogen 3.118 N/A TRP 189.A NE1 LEU 277.A O no hydrogen 3.164 N/A SER 190.A OG ASN 188.A OD1 no hydrogen 2.995 N/A THR 191.A N ASN 188.A OD1 no hydrogen 3.142 N/A MET 192.A N ASN 188.A O no hydrogen 3.320 N/A VAL 193.A N TRP 189.A O no hydrogen 2.928 N/A GLU 194.A N SER 190.A O no hydrogen 2.908 N/A GLY 195.A N THR 191.A O no hydrogen 3.284 N/A VAL 196.A N MET 192.A O no hydrogen 2.953 N/A GLN 197.A N VAL 193.A O no hydrogen 2.871 N/A GLN 197.A NE2 PHE 275.A O no hydrogen 2.966 N/A SER 198.A N GLU 194.A O no hydrogen 2.952 N/A HIS 199.A N GLY 195.A O no hydrogen 3.255 N/A ILE 200.A N VAL 196.A O no hydrogen 3.019 N/A GLY 201.A N GLN 197.A O no hydrogen 2.876 N/A SER 202.A N SER 198.A O no hydrogen 3.141 N/A SER 202.A OG HIS 199.A O no hydrogen 2.698 N/A LEU 203.A N HIS 199.A O no hydrogen 3.092 N/A ASN 204.A N ILE 200.A O no hydrogen 2.871 N/A ASN 204.A ND2 LEU 145.A O no hydrogen 2.822 N/A ASN 204.A ND2 ASN 151.A OD1 no hydrogen 3.080 N/A TRP 205.A N GLY 201.A O no hydrogen 3.093 N/A GLY 206.A N SER 202.A O no hydrogen 2.927 N/A TYR 207.A N LEU 203.A O no hydrogen 2.974 N/A LYS 208.A N ASN 204.A O no hydrogen 3.271 N/A VAL 209.A N TRP 205.A O no hydrogen 2.942 N/A ALA 210.A N GLY 206.A O no hydrogen 2.872 N/A LEU 211.A N TYR 207.A O no hydrogen 2.973 N/A ARG 212.A N LYS 208.A O no hydrogen 3.083 N/A ARG 212.A NE ASP 213.A OD1 no hydrogen 2.930 N/A ARG 212.A NH2 ASP 213.A OD1 no hydrogen 3.197 N/A ASP 213.A N VAL 209.A O no hydrogen 2.894 N/A ASN 214.A N ALA 210.A O no hydrogen 3.034 N/A ASN 214.A N LEU 211.A O no hydrogen 3.156 N/A ASN 214.A ND2 ALA 210.A O no hydrogen 3.116 N/A GLN 215.A N ARG 212.A O no hydrogen 3.098 N/A GLN 215.A NE2 ASP 213.A O no hydrogen 3.308 N/A VAL 216.A N LEU 211.A O no hydrogen 2.954 N/A THR 217.A N THR 128.A O no hydrogen 3.063 N/A LEU 219.A N VAL 130.A O no hydrogen 3.049 N/A LYS 222.A N THR 234.A O no hydrogen 3.052 N/A ARG 224.A N GLN 232.A O no hydrogen 2.948 N/A ARG 224.A NH1 SER 392.A O no hydrogen 3.125 N/A LEU 225.A N VAL 394.A O no hydrogen 2.867 N/A ILE 226.A N GLU 230.A O no hydrogen 3.164 N/A SER 227.A OG GLU 230.A OE1 no hydrogen 2.727 N/A HIS 229.A ND1 GLY 245.A O no hydrogen 2.865 N/A GLU 230.A N SER 227.A O no hydrogen 3.389 N/A VAL 231.A N ILE 243.A O no hydrogen 2.808 N/A GLN 232.A N ARG 224.A O no hydrogen 2.877 N/A ILE 233.A N SER 241.A O no hydrogen 2.857 N/A THR 234.A N LYS 222.A O no hydrogen 3.076 N/A ASP 235.A N LYS 239.A O no hydrogen 3.129 N/A ASN 237.A N ASP 235.A OD1 no hydrogen 2.798 N/A GLN 238.A N ASP 235.A O no hydrogen 3.135 N/A LYS 239.A N ASP 235.A OD1 no hydrogen 2.884 N/A SER 241.A N ILE 233.A O no hydrogen 3.060 N/A ILE 243.A N VAL 231.A O no hydrogen 2.954 N/A THR 244.A N ASP 102.A OD2 no hydrogen 3.058 N/A GLY 245.A N HIS 229.A O no hydrogen 2.975 N/A ASN 246.A N TYR 103.A O no hydrogen 2.982 N/A LYS 247.A N ASP 104.A O no hydrogen 2.966 N/A ILE 248.A N ASN 421.A O no hydrogen 3.000 N/A ILE 249.A N ILE 106.A O no hydrogen 2.997 N/A LEU 250.A N TYR 423.A O no hydrogen 2.782 N/A ALA 251.A N ILE 108.A O no hydrogen 2.924 N/A ARG 255.A N GLU 388.A O no hydrogen 3.056 N/A ARG 255.A NE ASP 272.A OD2 no hydrogen 2.956 N/A ARG 255.A NH1 GLU 135.A O no hydrogen 2.847 N/A ARG 255.A NH2 GLU 135.A O no hydrogen 2.994 N/A ARG 255.A NH2 ASP 272.A OD2 no hydrogen 3.085 N/A LYS 257.A N GLY 386.A O no hydrogen 2.898 N/A ILE 261.A N PRO 259.A O no hydrogen 3.055 N/A ALA 264.A N ILE 261.A O no hydrogen 3.345 N/A GLU 266.A N GLU 266.A OE1 no hydrogen 2.670 N/A TYR 267.A N GLY 263.A O no hydrogen 2.962 N/A GLY 268.A N ALA 264.A O no hydrogen 3.055 N/A ILE 269.A N VAL 381.A O no hydrogen 2.904 N/A THR 270.A N ASP 273.A OD2 no hydrogen 3.308 N/A ASP 272.A N THR 270.A OG1 no hydrogen 3.127 N/A ASP 273.A N THR 270.A O no hydrogen 2.959 N/A LEU 274.A N THR 270.A O no hydrogen 3.112 N/A LEU 274.A N SER 271.A O no hydrogen 3.290 N/A SER 276.A N ASP 273.A O no hydrogen 3.420 N/A LEU 277.A N LEU 274.A O no hydrogen 3.206 N/A LYS 283.A N GLU 379.A OE1 no hydrogen 2.850 N/A LYS 283.A NZ GLU 376.A OE2 no hydrogen 2.923 N/A LYS 283.A NZ GLU 377.A O no hydrogen 2.893 N/A THR 284.A N ASP 306.A O no hydrogen 2.929 N/A THR 284.A OG1 GLY 282.A O no hydrogen 2.780 N/A LEU 285.A N THR 380.A O no hydrogen 3.017 N/A VAL 286.A N THR 308.A O no hydrogen 2.781 N/A ILE 287.A N ILE 382.A O no hydrogen 2.952 N/A GLY 288.A N MET 310.A O no hydrogen 3.248 N/A ALA 293.A N SER 290.A OG no hydrogen 3.271 N/A LEU 294.A N SER 290.A O no hydrogen 3.030 N/A GLU 295.A N TYR 291.A O no hydrogen 2.949 N/A CYS 296.A N VAL 292.A O no hydrogen 3.065 N/A CYS 296.A SG VAL 292.A O no hydrogen 3.419 N/A ALA 297.A N ALA 293.A O no hydrogen 2.989 N/A GLY 298.A N LEU 294.A O no hydrogen 2.908 N/A PHE 299.A N GLU 295.A O no hydrogen 3.153 N/A LEU 300.A N CYS 296.A O no hydrogen 3.170 N/A ALA 301.A N ALA 297.A O no hydrogen 3.155 N/A SER 302.A N GLY 298.A O no hydrogen 3.180 N/A SER 302.A OG GLY 298.A O no hydrogen 3.493 N/A LEU 303.A N PHE 299.A O no hydrogen 2.981 N/A GLY 304.A N ALA 301.A O no hydrogen 2.996 N/A GLY 305.A N LEU 300.A O no hydrogen 3.019 N/A THR 308.A N THR 284.A O no hydrogen 3.019 N/A VAL 309.A N LYS 337.A O no hydrogen 2.851 N/A MET 310.A N VAL 286.A O no hydrogen 2.803 N/A VAL 311.A N ALA 339.A O no hydrogen 2.909 N/A ILE 314.A N SER 313.A OG no hydrogen 2.703 N/A LEU 316.A N ALA 289.A O no hydrogen 2.938 N/A ARG 317.A NH2 SER 313.A OG no hydrogen 2.898 N/A PHE 319.A N LEU 316.A O no hydrogen 2.923 N/A GLN 321.A N GLU 481.A OE2 no hydrogen 2.966 N/A GLN 321.A NE2 LEU 315.A O no hydrogen 2.927 N/A GLN 321.A NE2 PHE 319.A O no hydrogen 3.215 N/A GLN 322.A NE2 TYR 515.A OH no hydrogen 3.154 N/A MET 323.A N ASP 320.A OD1 no hydrogen 2.994 N/A ALA 324.A N ASP 320.A O no hydrogen 2.954 N/A GLU 325.A N GLN 321.A O no hydrogen 2.985 N/A LYS 326.A N GLN 322.A O no hydrogen 3.151 N/A VAL 327.A N MET 323.A O no hydrogen 3.010 N/A GLY 328.A N ALA 324.A O no hydrogen 3.035 N/A ASP 329.A N GLU 325.A O no hydrogen 2.901 N/A TYR 330.A N LYS 326.A O no hydrogen 3.131 N/A MET 331.A N VAL 327.A O no hydrogen 3.241 N/A GLU 332.A N GLY 328.A O no hydrogen 3.003 N/A ASN 333.A N ASP 329.A O no hydrogen 3.073 N/A HIS 334.A N TYR 330.A O no hydrogen 3.112 N/A HIS 334.A N MET 331.A O no hydrogen 3.072 N/A HIS 334.A NE2 GLU 510.A OE2 no hydrogen 2.727 N/A VAL 336.A N MET 331.A O no hydrogen 3.117 N/A LYS 337.A N VAL 307.A O no hydrogen 3.039 N/A LYS 337.A NZ ASP 306.A OD1 no hydrogen 2.384 N/A ALA 339.A N VAL 309.A O no hydrogen 2.867 N/A LYS 340.A NZ GLU 332.A OE2 no hydrogen 3.194 N/A CYS 342.A N VAL 311.A O no hydrogen 3.014 N/A CYS 342.A SG HIS 367.A O no hydrogen 3.848 N/A VAL 343.A N HIS 367.A O no hydrogen 3.117 N/A ASP 345.A N LYS 365.A O no hydrogen 2.767 N/A ILE 346.A N PRO 262.A O no hydrogen 3.043 N/A LYS 347.A N LEU 363.A O no hydrogen 2.836 N/A LEU 349.A N LEU 361.A O no hydrogen 2.792 N/A LYS 350.A N LEU 361.A O no hydrogen 3.074 N/A ASP 353.A N LYS 358.A O no hydrogen 2.971 N/A GLU 355.A N ASP 353.A OD1 no hydrogen 3.066 N/A ASN 356.A N ASP 353.A OD1 no hydrogen 3.038 N/A ASN 356.A ND2 ASP 353.A OD2 no hydrogen 3.492 N/A LYS 358.A N ASP 353.A O no hydrogen 3.260 N/A LEU 361.A N LYS 350.A O no hydrogen 3.119 N/A LEU 362.A N PHE 378.A O no hydrogen 2.710 N/A LEU 363.A N LYS 347.A O no hydrogen 2.841 N/A VAL 364.A N GLU 376.A O no hydrogen 3.074 N/A GLY 366.A N PHE 374.A O no hydrogen 2.872 N/A HIS 367.A N VAL 343.A O no hydrogen 3.011 N/A HIS 367.A ND1 ASP 345.A OD2 no hydrogen 2.904 N/A TYR 368.A N LYS 372.A O no hydrogen 3.075 N/A THR 369.A N LEU 341.A O no hydrogen 2.999 N/A GLY 371.A N TYR 368.A O no hydrogen 3.059 N/A LYS 372.A N ASP 370.A OD1 no hydrogen 2.989 N/A LYS 372.A NZ ASP 370.A OD2 no hydrogen 3.052 N/A PHE 374.A N GLY 366.A O no hydrogen 2.829 N/A GLU 376.A N VAL 364.A O no hydrogen 3.216 N/A PHE 378.A N LEU 362.A O no hydrogen 2.951 N/A GLU 379.A N LYS 283.A O no hydrogen 2.785 N/A THR 380.A N LYS 283.A O no hydrogen 3.251 N/A THR 380.A OG1 PRO 281.A O no hydrogen 2.748 N/A ILE 382.A N LEU 285.A O no hydrogen 2.892 N/A PHE 383.A N ILE 269.A O no hydrogen 2.893 N/A ALA 384.A N ILE 287.A O no hydrogen 2.881 N/A GLU 388.A N ARG 255.A O no hydrogen 2.983 N/A LYS 393.A N GLN 390.A O no hydrogen 3.106 N/A LYS 393.A NZ GLN 390.A OE1 no hydrogen 3.379 N/A VAL 394.A N LEU 391.A O no hydrogen 2.940 N/A CYS 396.A N LEU 225.A O no hydrogen 3.042 N/A CYS 396.A SG THR 398.A OG1 no hydrogen 3.053 N/A VAL 399.A N CYS 396.A O no hydrogen 3.045 N/A LYS 402.A N THR 418.A OG1 no hydrogen 3.010 N/A ASP 404.A N ARG 408.A O no hydrogen 2.847 N/A GLY 407.A N ASP 404.A O no hydrogen 2.901 N/A ARG 408.A N ASP 404.A OD1 no hydrogen 2.910 N/A ARG 408.A NE GLU 254.A OE2 no hydrogen 2.751 N/A ARG 408.A NH2 GLU 254.A OE2 no hydrogen 2.551 N/A VAL 409.A N ILE 428.A O no hydrogen 2.789 N/A VAL 410.A N LYS 402.A O no hydrogen 3.099 N/A CYS 411.A SG VAL 409.A O no hydrogen 3.856 N/A CYS 411.A SG GLU 415.A O no hydrogen 3.907 N/A CYS 411.A SG ALA 424.A O no hydrogen 4.014 N/A THR 412.A N GLN 416.A O no hydrogen 3.026 N/A THR 412.A OG1 ASP 414.A OD1 no hydrogen 2.232 N/A ASP 414.A N THR 412.A OG1 no hydrogen 3.422 N/A GLU 415.A N THR 412.A O no hydrogen 2.899 N/A GLN 416.A N THR 412.A OG1 no hydrogen 3.396 N/A GLN 416.A NE2 SER 420.A O no hydrogen 2.972 N/A THR 417.A N VAL 422.A O no hydrogen 2.931 N/A THR 417.A OG1 VAL 419.A O no hydrogen 3.020 N/A THR 417.A OG1 VAL 422.A O no hydrogen 2.941 N/A THR 418.A OG1 GLY 400.A O no hydrogen 2.655 N/A VAL 419.A N THR 417.A OG1 no hydrogen 2.988 N/A ASN 421.A ND2 PRO 228.A O no hydrogen 2.851 N/A ASN 421.A ND2 ASN 246.A O no hydrogen 3.050 N/A VAL 422.A N VAL 419.A O no hydrogen 2.820 N/A TYR 423.A N ILE 248.A O no hydrogen 2.902 N/A ALA 424.A N GLU 415.A O no hydrogen 3.100 N/A ILE 425.A N LEU 250.A O no hydrogen 3.158 N/A ASN 429.A N GLY 426.A O no hydrogen 2.971 N/A ASN 429.A ND2 ALA 424.A O no hydrogen 3.304 N/A ALA 430.A N VAL 409.A O no hydrogen 2.897 N/A LYS 432.A N ASN 429.A O no hydrogen 3.385 N/A LYS 432.A NZ ASN 429.A OD1 no hydrogen 2.957 N/A LYS 432.A NZ ALA 430.A O no hydrogen 3.182 N/A GLN 434.A NE2 GLU 254.A OE2 no hydrogen 3.291 N/A GLN 434.A NE2 ASP 427.A O no hydrogen 2.778 N/A THR 436.A OG1 SER 112.A OG no hydrogen 3.148 N/A ALA 439.A N LEU 435.A O no hydrogen 3.194 N/A ILE 440.A N THR 436.A O no hydrogen 3.078 N/A GLN 441.A N PRO 437.A O no hydrogen 3.028 N/A ALA 442.A N VAL 438.A O no hydrogen 2.879 N/A GLY 443.A N ALA 439.A O no hydrogen 2.916 N/A ARG 444.A N ILE 440.A O no hydrogen 2.951 N/A TYR 445.A N GLN 441.A O no hydrogen 2.930 N/A LEU 446.A N ALA 442.A O no hydrogen 2.938 N/A ALA 447.A N GLY 443.A O no hydrogen 3.054 N/A ARG 448.A N ARG 444.A O no hydrogen 3.237 N/A ARG 448.A NE GLU 120.A OE2 no hydrogen 2.682 N/A ARG 448.A NH2 GLU 120.A OE2 no hydrogen 3.514 N/A ARG 449.A N TYR 445.A O no hydrogen 3.131 N/A ARG 449.A NH1 GLU 456.A O no hydrogen 3.030 N/A ARG 449.A NH2 ASP 414.A O no hydrogen 3.015 N/A ARG 449.A NH2 GLU 415.A OE1 no hydrogen 2.848 N/A LEU 450.A N LEU 446.A O no hydrogen 2.909 N/A PHE 451.A N ALA 447.A O no hydrogen 3.033 N/A ALA 452.A N ARG 448.A O no hydrogen 2.873 N/A ALA 454.A N ARG 448.A O no hydrogen 3.236 N/A TYR 460.A OH GLU 415.A OE2 no hydrogen 2.722 N/A SER 461.A N ASP 459.A OD1 no hydrogen 3.063 N/A SER 461.A OG ASP 459.A OD1 no hydrogen 2.837 N/A THR 465.A N ALA 475.A O no hydrogen 2.953 N/A THR 466.A OG1 THR 465.A O no hydrogen 2.901 N/A VAL 467.A N TYR 473.A O no hydrogen 2.871 N/A PHE 468.A N GLU 295.A OE2 no hydrogen 2.734 N/A THR 469.A OG1 LEU 471.A O no hydrogen 2.906 N/A TYR 473.A N VAL 467.A O no hydrogen 3.057 N/A TYR 473.A OH HIS 532.A ND1 no hydrogen 2.714 N/A GLY 474.A N VAL 533.A O no hydrogen 2.899 N/A ALA 475.A N THR 465.A O no hydrogen 3.083 N/A CYS 476.A N LEU 531.A O no hydrogen 2.922 N/A CYS 476.A SG ASN 462.A O no hydrogen 3.263 N/A LEU 478.A N LEU 529.A O no hydrogen 2.933 N/A GLU 480.A N ASP 320.A OD2 no hydrogen 2.998 N/A GLU 481.A N GLU 481.A OE1 no hydrogen 2.807 N/A ASP 482.A N SER 479.A OG no hydrogen 3.211 N/A ALA 483.A N SER 479.A O no hydrogen 3.033 N/A ILE 484.A N GLU 480.A O no hydrogen 3.070 N/A GLU 485.A N GLU 481.A O no hydrogen 2.966 N/A LYS 486.A N ASP 482.A O no hydrogen 3.063 N/A LYS 486.A N ALA 483.A O no hydrogen 3.255 N/A LYS 486.A NZ TYR 487.A OH no hydrogen 2.852 N/A TYR 487.A N ALA 483.A O no hydrogen 3.045 N/A GLY 488.A N ILE 484.A O no hydrogen 2.881 N/A ASP 491.A N GLY 488.A O no hydrogen 3.130 N/A ILE 492.A N ASP 489.A O no hydrogen 3.406 N/A GLU 493.A N CYS 520.A O no hydrogen 3.030 N/A TYR 495.A N LEU 518.A O no hydrogen 3.032 N/A HIS 496.A N VAL 577.A O no hydrogen 2.994 N/A HIS 496.A ND1 TYR 515.A OH no hydrogen 2.749 N/A SER 497.A N MET 516.A O no hydrogen 3.078 N/A SER 497.A OG ASN 498.A O no hydrogen 2.769 N/A ASN 498.A N PRO 585.A O no hydrogen 3.050 N/A ASN 498.A ND2 CYS 514.A O no hydrogen 2.905 N/A PHE 499.A N CYS 514.A O no hydrogen 3.189 N/A LYS 500.A NZ ARG 509.A O no hydrogen 3.184 N/A LYS 500.A NZ ASP 511.A OD1 no hydrogen 2.596 N/A TRP 504.A N PRO 501.A O no hydrogen 2.931 N/A THR 505.A N LEU 502.A O no hydrogen 3.063 N/A THR 505.A OG1 LEU 502.A O no hydrogen 2.694 N/A HIS 508.A N THR 505.A O no hydrogen 3.088 N/A ARG 509.A N TRP 504.A O no hydrogen 3.069 N/A ARG 509.A NE ASP 172.A OD1 no hydrogen 2.816 N/A ARG 509.A NE ASP 172.A OD2 no hydrogen 3.431 N/A ARG 509.A NH2 GLU 171.A OE2 no hydrogen 2.960 N/A ARG 509.A NH2 ASP 172.A OD1 no hydrogen 3.070 N/A GLU 510.A N GLU 510.A OE1 no hydrogen 2.821 N/A TYR 515.A N LEU 534.A O no hydrogen 3.155 N/A TYR 515.A OH HIS 496.A ND1 no hydrogen 2.749 N/A MET 516.A N SER 497.A O no hydrogen 2.989 N/A LYS 517.A N HIS 532.A O no hydrogen 2.970 N/A LYS 517.A NZ ASP 320.A OD1 no hydrogen 3.285 N/A LYS 517.A NZ ASP 320.A OD2 no hydrogen 2.900 N/A LYS 517.A NZ GLN 322.A OE1 no hydrogen 2.838 N/A LYS 517.A NZ GLU 480.A OE1 no hydrogen 2.768 N/A LEU 518.A N TYR 495.A O no hydrogen 2.877 N/A VAL 519.A N GLY 530.A O no hydrogen 2.984 N/A CYS 520.A N GLU 493.A O no hydrogen 2.831 N/A CYS 520.A SG LEU 518.A O no hydrogen 4.006 N/A CYS 520.A SG MET 526.A O no hydrogen 3.925 N/A ARG 521.A N ARG 527.A O no hydrogen 2.957 N/A ARG 521.A NE ASP 491.A OD2 no hydrogen 3.036 N/A LYS 522.A N ASP 491.A O no hydrogen 2.930 N/A SER 523.A N ASP 491.A OD1 no hydrogen 2.980 N/A SER 523.A OG ASP 491.A OD1 no hydrogen 3.111 N/A SER 523.A OG ASP 491.A OD2 no hydrogen 2.997 N/A ASP 524.A N ARG 521.A O no hydrogen 3.218 N/A ARG 527.A N ASP 524.A O no hydrogen 2.996 N/A ARG 527.A NE ASP 524.A OD2 no hydrogen 2.951 N/A ARG 527.A NH1 GLY 552.A O no hydrogen 2.968 N/A ARG 527.A NH2 ASP 524.A OD1 no hydrogen 2.965 N/A ARG 527.A NH2 ASP 524.A OD2 no hydrogen 3.514 N/A VAL 528.A N ALA 553.A O no hydrogen 3.005 N/A LEU 529.A N VAL 519.A O no hydrogen 2.782 N/A GLY 530.A N VAL 519.A O no hydrogen 3.298 N/A LEU 531.A N CYS 476.A O no hydrogen 2.824 N/A HIS 532.A N LYS 517.A O no hydrogen 3.119 N/A HIS 532.A ND1 TYR 473.A OH no hydrogen 2.714 N/A HIS 532.A NE2 LEU 478.A O no hydrogen 2.936 N/A VAL 533.A N GLY 474.A O no hydrogen 2.953 N/A LEU 534.A N TYR 515.A O no hydrogen 2.853 N/A GLY 535.A N GLU 472.A O no hydrogen 2.967 N/A ALA 538.A N GLU 472.A OE1 no hydrogen 2.999 N/A ILE 541.A N ASN 537.A O no hydrogen 2.992 N/A THR 542.A N ALA 538.A O no hydrogen 2.992 N/A THR 542.A OG1 ALA 538.A O no hydrogen 2.830 N/A GLN 543.A N GLY 539.A O no hydrogen 3.231 N/A GLN 543.A NE2 GLN 543.A O no hydrogen 3.065 N/A TYR 545.A OH SER 569.A O no hydrogen 2.994 N/A TYR 545.A OH SER 569.A OG no hydrogen 2.886 N/A ALA 546.A N GLN 543.A O no hydrogen 3.082 N/A VAL 547.A N GLY 544.A O no hydrogen 3.246 N/A ILE 549.A N TYR 545.A O no hydrogen 2.886 N/A LYS 550.A N ALA 546.A O no hydrogen 3.008 N/A LYS 550.A NZ ASP 459.A OD2 no hydrogen 2.811 N/A LYS 550.A NZ SER 461.A O no hydrogen 2.963 N/A MET 551.A N VAL 547.A O no hydrogen 3.099 N/A GLY 552.A N ILE 549.A O no hydrogen 2.879 N/A ALA 553.A N ALA 548.A O no hydrogen 3.013 N/A THR 554.A N ASP 557.A OD2 no hydrogen 2.936 N/A THR 554.A OG1 ASP 557.A OD2 no hydrogen 3.242 N/A LYS 555.A N MET 526.A O no hydrogen 2.984 N/A LYS 555.A NZ ASP 559.A OD1 no hydrogen 2.594 N/A LYS 555.A NZ ASP 559.A OD2 no hydrogen 3.271 N/A LYS 555.A NZ LEU 575.A O no hydrogen 2.869 N/A ASP 557.A N THR 554.A O no hydrogen 3.086 N/A ASP 557.A N THR 554.A OG1 no hydrogen 3.345 N/A PHE 558.A N THR 554.A O no hydrogen 3.332 N/A ASP 559.A N LYS 555.A O no hydrogen 2.914 N/A ARG 560.A N ALA 556.A O no hydrogen 3.035 N/A ARG 560.A NE ASP 557.A OD1 no hydrogen 3.040 N/A ARG 560.A NH2 ASP 557.A OD1 no hydrogen 3.004 N/A THR 561.A N ASP 557.A O no hydrogen 3.353 N/A THR 561.A OG1 ASP 557.A O no hydrogen 2.844 N/A HIS 565.A ND1 GLU 570.A OE2 no hydrogen 2.755 N/A THR 567.A N GLU 570.A OE2 no hydrogen 3.322 N/A THR 567.A OG1 ILE 564.A O no hydrogen 2.720 N/A SER 569.A OG TYR 545.A OH no hydrogen 2.886 N/A GLU 570.A N THR 567.A OG1 no hydrogen 3.115 N/A THR 571.A N CYS 568.A O no hydrogen 3.241 N/A THR 571.A OG1 CYS 568.A O no hydrogen 3.545 N/A PHE 572.A N SER 569.A O no hydrogen 3.125 N/A THR 573.A N GLU 570.A O no hydrogen 2.931 N/A THR 573.A OG1 GLU 570.A O no hydrogen 2.698 N/A THR 574.A N THR 571.A O no hydrogen 3.398 N/A LYS 579.A N VAL 494.A O no hydrogen 2.872 N/A LYS 579.A NZ GLN 322.A OE1 no hydrogen 2.793 N/A LYS 579.A NZ GLU 480.A OE1 no hydrogen 2.863 N/A SER 581.A N THR 578.A O no hydrogen 3.355 N/A SER 581.A N THR 578.A OG1 no hydrogen 3.171 N/A SER 581.A OG THR 578.A O no hydrogen 2.706 N/A SER 581.A OG THR 578.A OG1 no hydrogen 3.422 N/A GLY 582.A N LYS 579.A O no hydrogen 3.048 N/A VAL 583.A N SER 581.A OG no hydrogen 3.253 N/A ILE 586.A N SER 584.A OG no hydrogen 3.163 N/A VAL 587.A N ASN 512.A OD1 no hydrogen 3.033 N/A