Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xta_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N LYS 1.A O no hydrogen 3.239 N/A ILE 6.A N ASN 2.A O no hydrogen 3.305 N/A GLU 7.A N ALA 3.A O no hydrogen 3.091 N/A LEU 8.A N ARG 4.A O no hydrogen 3.155 N/A ILE 9.A N VAL 5.A O no hydrogen 2.833 N/A ALA 10.A N ILE 6.A O no hydrogen 3.089 N/A ALA 11.A N GLU 7.A O no hydrogen 2.958 N/A TYR 12.A N LEU 8.A O no hydrogen 3.089 N/A TYR 12.A OH LEU 38.A O no hydrogen 3.090 N/A ARG 13.A N ILE 9.A O no hydrogen 3.068 N/A ARG 13.A NE GLU 97.A OE2 no hydrogen 2.702 N/A ARG 13.A NH2 GLU 97.A OE1 no hydrogen 2.895 N/A ARG 13.A NH2 GLU 97.A OE2 no hydrogen 3.479 N/A ASN 14.A N ALA 10.A O no hydrogen 2.765 N/A ARG 15.A N ALA 11.A O no hydrogen 2.805 N/A GLY 16.A N TYR 12.A O no hydrogen 2.910 N/A HIS 17.A ND1 TYR 309.A OH no hydrogen 2.623 N/A LEU 18.A N ARG 15.A O no hydrogen 2.971 N/A MET 19.A N GLY 16.A O no hydrogen 2.995 N/A ASP 21.A N ARG 74.A O no hydrogen 2.717 N/A LEU 25.A N ASP 23.A OD1 no hydrogen 3.028 N/A ARG 26.A N ASP 23.A O no hydrogen 3.216 N/A ARG 26.A NE ASP 21.A OD1 no hydrogen 3.048 N/A ARG 26.A NE ASP 21.A OD2 no hydrogen 3.398 N/A ARG 26.A NH2 ASP 21.A OD2 no hydrogen 2.824 N/A LEU 27.A N ASP 23.A OD2 no hydrogen 2.907 N/A THR 30.A N ASP 28.A OD1 no hydrogen 3.233 N/A THR 30.A OG1 ASP 28.A OD1 no hydrogen 2.536 N/A ARG 31.A NE ALA 20.A O no hydrogen 2.856 N/A ARG 31.A NH2 ALA 20.A O no hydrogen 3.047 N/A ASP 39.A N PRO 36.A O no hydrogen 3.091 N/A HIS 43.A N VAL 40.A O no hydrogen 3.206 N/A HIS 43.A NE2 ASP 37.A O no hydrogen 2.645 N/A LEU 45.A N VAL 40.A O no hydrogen 3.215 N/A THR 46.A N ASP 49.A OD2 no hydrogen 3.090 N/A THR 46.A OG1 ASP 49.A OD2 no hydrogen 2.700 N/A ASP 49.A N THR 46.A O no hydrogen 3.268 N/A ARG 52.A N ASP 49.A O no hydrogen 3.127 N/A PHE 54.A N LYS 59.A O no hydrogen 2.982 N/A VAL 56.A N GLN 57.A O no hydrogen 2.853 N/A LYS 59.A N PHE 54.A O no hydrogen 3.092 N/A LEU 61.A N ARG 52.A O no hydrogen 3.147 N/A ARG 62.A N LEU 50.A O no hydrogen 2.856 N/A ARG 62.A NH1 ASP 51.A OD1 no hydrogen 3.375 N/A ASP 63.A N LYS 60.A O no hydrogen 3.035 N/A ILE 64.A N LYS 60.A O no hydrogen 3.062 N/A LEU 65.A N LEU 61.A O no hydrogen 2.864 N/A SER 66.A N ARG 62.A O no hydrogen 3.016 N/A SER 66.A OG ASP 63.A O no hydrogen 3.025 N/A VAL 67.A N ASP 63.A O no hydrogen 3.041 N/A LEU 68.A N ILE 64.A O no hydrogen 2.875 N/A ARG 69.A N LEU 65.A O no hydrogen 2.993 N/A ASP 70.A N SER 66.A O no hydrogen 3.060 N/A ALA 71.A N VAL 67.A O no hydrogen 3.136 N/A TYR 72.A N LEU 68.A O no hydrogen 2.824 N/A TYR 72.A OH GLU 97.A OE2 no hydrogen 2.549 N/A CYS 73.A N ARG 69.A O no hydrogen 2.869 N/A CYS 73.A SG GLY 16.A O no hydrogen 3.479 N/A HIS 75.A ND1 ASP 328.A OD2 no hydrogen 2.693 N/A GLY 77.A N HIS 323.A O no hydrogen 2.705 N/A GLU 79.A N ILE 321.A O no hydrogen 2.871 N/A TYR 80.A OH TYR 72.A OH no hydrogen 2.858 N/A THR 81.A OG1 ASN 14.A OD1 no hydrogen 2.892 N/A HIS 82.A NE2 ALA 319.A O no hydrogen 2.801 N/A ILE 83.A N TYR 80.A O no hydrogen 3.138 N/A GLU 85.A N GLU 85.A OE2 no hydrogen 2.869 N/A GLU 87.A N GLU 87.A OE1 no hydrogen 2.867 N/A GLN 88.A N GLU 85.A O no hydrogen 3.203 N/A GLN 89.A N GLU 85.A O no hydrogen 3.336 N/A GLN 89.A NE2 ILE 83.A O no hydrogen 2.805 N/A ARG 90.A N PRO 86.A O no hydrogen 3.006 N/A TRP 91.A N GLU 87.A O no hydrogen 3.049 N/A ILE 92.A N GLN 88.A O no hydrogen 3.157 N/A GLN 93.A N GLN 89.A O no hydrogen 2.999 N/A GLN 93.A NE2 TYR 80.A OH no hydrogen 3.220 N/A GLU 94.A N ARG 90.A O no hydrogen 2.966 N/A ARG 95.A N TRP 91.A O no hydrogen 3.327 N/A ARG 95.A NH1 TRP 91.A O no hydrogen 2.799 N/A VAL 96.A N ILE 92.A O no hydrogen 2.859 N/A GLU 97.A N GLN 93.A O no hydrogen 2.920 N/A THR 98.A OG1 GLU 94.A O no hydrogen 3.196 N/A THR 98.A OG1 ARG 95.A O no hydrogen 3.529 N/A HIS 100.A NE2 ARG 95.A O no hydrogen 3.015 N/A THR 104.A N GLU 107.A OE2 no hydrogen 2.893 N/A GLU 107.A N THR 104.A OG1 no hydrogen 3.393 N/A GLN 108.A N THR 104.A O no hydrogen 2.871 N/A GLN 108.A NE2 GLU 330.A OE1 no hydrogen 2.919 N/A GLN 108.A NE2 ASP 398.A OD2 no hydrogen 2.693 N/A LYS 109.A N VAL 105.A O no hydrogen 2.767 N/A LYS 109.A NZ GLU 403.A OE2 no hydrogen 2.804 N/A TYR 110.A N ALA 106.A O no hydrogen 3.041 N/A TYR 110.A OH ASP 148.A OD1 no hydrogen 2.972 N/A TYR 110.A OH ASP 148.A OD2 no hydrogen 2.810 N/A TYR 110.A OH TYR 201.A OH no hydrogen 3.327 N/A ILE 111.A N GLU 107.A O no hydrogen 2.983 N/A LEU 112.A N GLN 108.A O no hydrogen 2.881 N/A SER 113.A N LYS 109.A O no hydrogen 2.780 N/A LYS 114.A N TYR 110.A O no hydrogen 3.079 N/A LYS 114.A NZ ASP 148.A OD2 no hydrogen 2.715 N/A LYS 114.A NZ ASN 177.A O no hydrogen 3.163 N/A LEU 115.A N ILE 111.A O no hydrogen 3.188 N/A ASN 116.A N LEU 112.A O no hydrogen 2.886 N/A ASN 116.A ND2 ASP 410.A OD1 no hydrogen 2.759 N/A ALA 117.A N SER 113.A O no hydrogen 3.030 N/A ALA 118.A N LYS 114.A O no hydrogen 3.080 N/A GLU 119.A N LEU 115.A O no hydrogen 2.924 N/A ALA 120.A N ASN 116.A O no hydrogen 3.039 N/A PHE 121.A N ALA 117.A O no hydrogen 3.149 N/A GLU 122.A N ALA 118.A O no hydrogen 3.008 N/A THR 123.A N GLU 119.A O no hydrogen 2.886 N/A THR 123.A OG1 GLU 119.A O no hydrogen 2.649 N/A THR 123.A OG1 TYR 411.A OH no hydrogen 3.208 N/A PHE 124.A N ALA 120.A O no hydrogen 3.164 N/A LEU 125.A N PHE 121.A O no hydrogen 3.028 N/A GLN 126.A N GLU 122.A O no hydrogen 3.271 N/A GLN 126.A NE2 GLN 132.A O no hydrogen 3.201 N/A THR 127.A N THR 123.A O no hydrogen 3.130 N/A THR 127.A OG1 THR 123.A O no hydrogen 2.626 N/A LYS 128.A N PHE 124.A O no hydrogen 2.736 N/A TYR 129.A N LEU 125.A O no hydrogen 3.403 N/A LYS 133.A N GLU 364.A OE2 no hydrogen 3.294 N/A PHE 135.A N GLN 132.A O no hydrogen 3.165 N/A SER 136.A N LYS 133.A O no hydrogen 3.172 N/A SER 136.A OG GLU 138.A OE2 no hydrogen 2.489 N/A LEU 137.A N GLU 122.A OE2 no hydrogen 2.630 N/A GLU 138.A N SER 136.A OG no hydrogen 3.142 N/A GLY 139.A N GLU 141.A OE1 no hydrogen 3.057 N/A ALA 140.A N LEU 137.A O no hydrogen 2.852 N/A GLU 141.A N GLU 141.A OE1 no hydrogen 3.056 N/A THR 142.A OG1 GLY 326.A O no hydrogen 2.659 N/A VAL 143.A N ALA 140.A O no hydrogen 3.070 N/A ILE 144.A N GLU 141.A O no hydrogen 3.061 N/A MET 146.A N THR 142.A O no hydrogen 3.073 N/A MET 147.A N VAL 143.A O no hydrogen 2.821 N/A ASP 148.A N ILE 144.A O no hydrogen 2.973 N/A ALA 149.A N PRO 145.A O no hydrogen 3.090 N/A VAL 150.A N MET 146.A O no hydrogen 3.150 N/A ILE 151.A N MET 147.A O no hydrogen 3.070 N/A ASP 152.A N ASP 148.A O no hydrogen 2.900 N/A GLN 153.A N ALA 149.A O no hydrogen 2.936 N/A GLN 153.A NE2 ASP 341.A OD1 no hydrogen 2.825 N/A CYS 154.A N VAL 150.A O no hydrogen 2.962 N/A CYS 154.A SG VAL 150.A O no hydrogen 3.222 N/A ALA 155.A N ILE 151.A O no hydrogen 2.922 N/A GLU 156.A N ASP 152.A O no hydrogen 2.984 N/A HIS 157.A N GLN 153.A O no hydrogen 3.143 N/A HIS 157.A N CYS 154.A O no hydrogen 3.286 N/A HIS 157.A NE2 ASP 341.A OD1 no hydrogen 2.809 N/A GLY 158.A N ALA 155.A O no hydrogen 3.014 N/A LEU 159.A N CYS 154.A O no hydrogen 3.104 N/A ASP 160.A N SER 251.A O no hydrogen 2.839 N/A GLU 161.A N SER 251.A O no hydrogen 3.229 N/A VAL 162.A N GLU 211.A O no hydrogen 2.909 N/A VAL 163.A N VAL 253.A O no hydrogen 2.833 N/A ILE 164.A N SER 213.A O no hydrogen 2.753 N/A ALA 165.A N LEU 255.A O no hydrogen 3.133 N/A ARG 169.A NH1 SER 136.A O no hydrogen 2.803 N/A GLY 170.A N PHE 135.A O no hydrogen 2.994 N/A ARG 171.A N HIS 168.A O no hydrogen 3.106 N/A ARG 171.A NH1 ASN 217.A OD1 no hydrogen 2.709 N/A ARG 171.A NH2 LEU 195.A O no hydrogen 2.929 N/A ARG 171.A NH2 THR 215.A O no hydrogen 2.841 N/A ARG 171.A NH2 ASN 217.A OD1 no hydrogen 3.344 N/A ASN 173.A ND2 ALA 118.A O no hydrogen 3.168 N/A ASN 173.A ND2 GLU 122.A OE1 no hydrogen 2.945 N/A VAL 174.A N GLY 170.A O no hydrogen 3.056 N/A LEU 175.A N ARG 171.A O no hydrogen 2.953 N/A ALA 176.A N LEU 172.A O no hydrogen 2.978 N/A ASN 177.A N ASN 173.A O no hydrogen 2.744 N/A ASN 177.A ND2 ALA 117.A O no hydrogen 3.475 N/A ASN 177.A ND2 ASN 173.A O no hydrogen 3.453 N/A ASN 177.A ND2 ASN 173.A OD1 no hydrogen 2.559 N/A ILE 178.A N VAL 174.A O no hydrogen 2.879 N/A VAL 179.A N VAL 174.A O no hydrogen 2.964 N/A LYS 181.A N LEU 175.A O no hydrogen 2.760 N/A LYS 181.A NZ THR 198.A O no hydrogen 3.061 N/A GLN 185.A N PRO 182.A O no hydrogen 3.112 N/A ILE 186.A N PRO 182.A O no hydrogen 3.086 N/A PHE 187.A N TYR 183.A O no hydrogen 2.828 N/A TYR 193.A OH GLN 132.A OE1 no hydrogen 2.923 N/A HIS 194.A N VAL 191.A O no hydrogen 2.782 N/A HIS 194.A ND1 ASN 217.A O no hydrogen 2.763 N/A ALA 197.A N LEU 214.A O no hydrogen 2.902 N/A GLY 199.A N VAL 212.A O no hydrogen 2.745 N/A THR 200.A OG1 GLU 211.A OE1 no hydrogen 2.817 N/A TYR 201.A N ILE 210.A O no hydrogen 2.748 N/A TYR 201.A OH TYR 110.A OH no hydrogen 3.327 N/A TYR 201.A OH ASP 148.A OD1 no hydrogen 3.303 N/A TYR 201.A OH ASP 148.A OD2 no hydrogen 2.755 N/A GLN 203.A N ASN 208.A O no hydrogen 3.087 N/A GLN 203.A NE2 ASP 152.A O no hydrogen 3.131 N/A GLN 203.A NE2 ASP 152.A OD1 no hydrogen 3.416 N/A GLN 203.A NE2 GLU 156.A OE1 no hydrogen 2.834 N/A ASN 208.A N GLN 203.A OE1 no hydrogen 3.047 N/A ASN 208.A ND2 GLN 203.A OE1 no hydrogen 3.260 N/A ILE 210.A N TYR 201.A O no hydrogen 2.940 N/A GLU 211.A N ASP 160.A O no hydrogen 3.235 N/A VAL 212.A N GLY 199.A O no hydrogen 2.883 N/A SER 213.A N VAL 162.A O no hydrogen 3.003 N/A SER 213.A OG GLU 161.A OE1 no hydrogen 2.649 N/A LEU 214.A N ALA 197.A O no hydrogen 2.803 N/A THR 215.A N ILE 164.A O no hydrogen 2.938 N/A ASN 217.A N HIS 194.A O no hydrogen 3.070 N/A ASN 217.A ND2 PRO 218.A O no hydrogen 2.929 N/A ALA 223.A N HIS 220.A O no hydrogen 3.431 N/A ASP 225.A N GLU 222.A O no hydrogen 3.043 N/A LEU 228.A N VAL 224.A O no hydrogen 2.925 N/A GLU 229.A N ASP 225.A O no hydrogen 3.447 N/A GLY 230.A N PRO 226.A O no hydrogen 3.010 N/A LEU 231.A N VAL 227.A O no hydrogen 2.951 N/A VAL 232.A N LEU 228.A O no hydrogen 2.867 N/A ARG 233.A N GLU 229.A O no hydrogen 2.800 N/A ARG 233.A NE ASP 237.A OD1 no hydrogen 3.175 N/A ARG 233.A NH1 ARG 279.A O no hydrogen 3.029 N/A ARG 233.A NH1 ARG 282.A O no hydrogen 3.042 N/A ARG 233.A NH2 ARG 279.A O no hydrogen 2.936 N/A ALA 234.A N GLY 230.A O no hydrogen 2.839 N/A LYS 235.A N LEU 231.A O no hydrogen 3.178 N/A LYS 235.A NZ GLU 161.A OE1 no hydrogen 3.396 N/A LYS 235.A NZ GLU 161.A OE2 no hydrogen 2.676 N/A GLN 236.A N VAL 232.A O no hydrogen 2.856 N/A GLN 236.A NE2 VAL 252.A O no hydrogen 2.781 N/A GLN 236.A NE2 THR 283.A O no hydrogen 2.889 N/A ASP 237.A N ARG 233.A O no hydrogen 2.919 N/A LEU 238.A N ALA 234.A O no hydrogen 3.189 N/A LEU 239.A N LYS 235.A O no hydrogen 3.018 N/A ASP 240.A N ASP 237.A O no hydrogen 3.371 N/A THR 241.A N GLN 236.A O no hydrogen 3.045 N/A THR 241.A OG1 ASP 247.A OD2 no hydrogen 2.865 N/A GLY 242.A N ASP 247.A O no hydrogen 2.927 N/A GLY 245.A N GLY 242.A O no hydrogen 3.107 N/A SER 246.A OG ASP 240.A OD2 no hydrogen 2.689 N/A ARG 249.A N ASP 247.A OD2 no hydrogen 3.008 N/A ARG 249.A NH1 GLY 158.A O no hydrogen 2.832 N/A SER 251.A N THR 241.A OG1 no hydrogen 3.064 N/A SER 251.A OG ASP 160.A OD2 no hydrogen 2.657 N/A VAL 253.A N GLU 161.A O no hydrogen 2.815 N/A LEU 255.A N VAL 163.A O no hydrogen 2.808 N/A MET 256.A N ILE 287.A O no hydrogen 2.911 N/A LEU 257.A N ALA 165.A O no hydrogen 2.783 N/A HIS 258.A N ILE 289.A O no hydrogen 2.872 N/A HIS 258.A ND1 GLU 222.A OE1 no hydrogen 2.591 N/A HIS 258.A NE2 HIS 288.A ND1 no hydrogen 2.969 N/A PHE 263.A N GLY 259.A O no hydrogen 3.029 N/A GLY 265.A N ALA 261.A O no hydrogen 3.125 N/A GLN 266.A N ALA 262.A O no hydrogen 3.094 N/A VAL 269.A N GLN 266.A O no hydrogen 3.154 N/A GLU 271.A N GLY 267.A O no hydrogen 3.183 N/A THR 272.A N VAL 268.A O no hydrogen 2.947 N/A THR 272.A OG1 VAL 268.A O no hydrogen 2.661 N/A LEU 273.A N VAL 269.A O no hydrogen 2.931 N/A ASN 274.A N ALA 270.A O no hydrogen 2.954 N/A LEU 275.A N THR 272.A O no hydrogen 3.089 N/A ALA 276.A N LEU 273.A O no hydrogen 3.152 N/A LEU 278.A N LEU 275.A O no hydrogen 3.101 N/A ARG 279.A NH1 GLU 522.A OE1 no hydrogen 3.054 N/A ARG 279.A NH2 GLU 522.A OE2 no hydrogen 3.082 N/A TYR 281.A N LEU 278.A O no hydrogen 3.117 N/A ARG 282.A N LEU 278.A O no hydrogen 2.714 N/A THR 283.A OG1 GLU 229.A OE2 no hydrogen 2.664 N/A THR 286.A N ASP 349.A OD2 no hydrogen 2.953 N/A THR 286.A OG1 GLU 229.A OE1 no hydrogen 2.617 N/A ILE 287.A N PRO 254.A O no hydrogen 2.995 N/A HIS 288.A N VAL 350.A O no hydrogen 2.858 N/A HIS 288.A ND1 HIS 258.A NE2 no hydrogen 2.969 N/A HIS 288.A NE2 ASP 349.A OD1 no hydrogen 2.782 N/A ILE 289.A N MET 256.A O no hydrogen 2.908 N/A VAL 290.A N ILE 352.A O no hydrogen 2.778 N/A VAL 291.A N HIS 258.A O no hydrogen 2.746 N/A ASN 292.A N MET 354.A O no hydrogen 2.931 N/A ASN 292.A ND2 ASP 353.A OD1 no hydrogen 2.813 N/A GLN 294.A N ASN 292.A OD1 no hydrogen 3.276 N/A GLN 294.A NE2 ASP 23.A OD1 no hydrogen 2.683 N/A GLN 294.A NE2 CYS 356.A O no hydrogen 3.149 N/A GLY 296.A N THR 299.A O no hydrogen 3.040 N/A THR 299.A N GLY 296.A O no hydrogen 2.906 N/A THR 299.A OG1 GLY 296.A O no hydrogen 3.387 N/A ASP 303.A N ALA 300.A O no hydrogen 2.990 N/A SER 304.A N PRO 301.A O no hydrogen 2.975 N/A SER 304.A OG ALA 300.A O no hydrogen 3.514 N/A ARG 305.A N PRO 301.A O no hydrogen 3.069 N/A ARG 305.A NE SER 307.A O no hydrogen 2.960 N/A ARG 305.A NE GLU 308.A O no hydrogen 3.441 N/A ARG 305.A NH2 GLU 308.A O no hydrogen 2.894 N/A SER 307.A OG TYR 309.A O no hydrogen 2.820 N/A SER 307.A OG ASP 312.A OD2 no hydrogen 3.213 N/A TYR 309.A N ASP 312.A OD2 no hydrogen 2.933 N/A TYR 309.A OH HIS 17.A ND1 no hydrogen 2.623 N/A CYS 310.A SG ASP 353.A OD1 no hydrogen 3.834 N/A ASP 312.A N TYR 309.A O no hydrogen 3.382 N/A ALA 314.A N THR 311.A O no hydrogen 2.939 N/A LYS 315.A N ASP 312.A O no hydrogen 3.133 N/A LYS 315.A NZ GLU 79.A OE2 no hydrogen 2.697 N/A LYS 315.A NZ ASP 312.A OD1 no hydrogen 2.925 N/A MET 316.A N VAL 313.A O no hydrogen 3.043 N/A ILE 317.A N ALA 314.A O no hydrogen 3.439 N/A GLY 318.A N LYS 315.A O no hydrogen 2.909 N/A ALA 319.A N ALA 314.A O no hydrogen 3.350 N/A ILE 321.A N GLU 79.A O no hydrogen 2.981 N/A PHE 322.A N VAL 351.A O no hydrogen 2.902 N/A HIS 323.A N GLY 77.A O no hydrogen 2.799 N/A HIS 323.A ND1 ASP 353.A OD2 no hydrogen 2.660 N/A HIS 323.A NE2 GLU 79.A OE1 no hydrogen 2.649 N/A VAL 324.A N ASP 353.A O no hydrogen 2.834 N/A ASN 325.A N HIS 75.A O no hydrogen 3.019 N/A ASN 325.A ND2 ASP 21.A O no hydrogen 2.962 N/A GLY 326.A N LEU 355.A O no hydrogen 2.742 N/A ASP 327.A N ASN 325.A OD1 no hydrogen 3.013 N/A ASP 328.A N ASN 325.A O no hydrogen 2.962 N/A ALA 331.A N ASP 328.A OD1 no hydrogen 3.402 N/A CYS 332.A N ASP 328.A O no hydrogen 3.119 N/A CYS 332.A SG ASN 325.A O no hydrogen 3.370 N/A CYS 332.A SG ASP 328.A O no hydrogen 3.249 N/A ALA 333.A N PRO 329.A O no hydrogen 2.959 N/A TRP 334.A N GLU 330.A O no hydrogen 2.928 N/A VAL 335.A N ALA 331.A O no hydrogen 2.937 N/A ALA 336.A N CYS 332.A O no hydrogen 3.180 N/A ARG 337.A N ALA 333.A O no hydrogen 3.188 N/A ARG 337.A NH1 ASP 152.A OD2 no hydrogen 2.683 N/A ARG 337.A NH1 GLN 153.A OE1 no hydrogen 3.531 N/A LEU 338.A N TRP 334.A O no hydrogen 3.066 N/A ALA 339.A N VAL 335.A O no hydrogen 2.927 N/A VAL 340.A N ALA 336.A O no hydrogen 3.247 N/A ASP 341.A N ARG 337.A O no hydrogen 3.109 N/A PHE 342.A N LEU 338.A O no hydrogen 2.956 N/A ARG 343.A N ALA 339.A O no hydrogen 3.036 N/A ARG 343.A NE GLY 285.A O no hydrogen 2.721 N/A ARG 343.A NH1 PHE 250.A O no hydrogen 2.827 N/A ARG 343.A NH1 GLN 344.A OE1 no hydrogen 2.770 N/A ARG 343.A NH2 PHE 250.A O no hydrogen 2.967 N/A ARG 343.A NH2 GLY 285.A O no hydrogen 3.515 N/A GLN 344.A N VAL 340.A O no hydrogen 2.913 N/A ALA 345.A N ASP 341.A O no hydrogen 2.904 N/A PHE 346.A N PHE 342.A O no hydrogen 2.845 N/A LYS 347.A N ARG 343.A O no hydrogen 2.769 N/A LYS 347.A NZ ASN 248.A O no hydrogen 3.156 N/A LYS 347.A NZ ARG 249.A O no hydrogen 3.208 N/A LYS 347.A NZ GLN 344.A O no hydrogen 3.253 N/A LYS 348.A NZ GLU 85.A OE2 no hydrogen 3.362 N/A LYS 348.A NZ GLN 88.A OE1 no hydrogen 2.741 N/A LYS 348.A NZ GLY 318.A O no hydrogen 2.770 N/A VAL 350.A N THR 286.A O no hydrogen 3.109 N/A VAL 351.A N PRO 320.A O no hydrogen 3.148 N/A ILE 352.A N HIS 288.A O no hydrogen 2.802 N/A ASP 353.A N PHE 322.A O no hydrogen 2.737 N/A MET 354.A N VAL 290.A O no hydrogen 2.842 N/A LEU 355.A N VAL 324.A O no hydrogen 2.840 N/A CYS 356.A N ASN 292.A O no hydrogen 2.919 N/A CYS 356.A SG MET 354.A O no hydrogen 3.620 N/A TYR 357.A N GLY 139.A O no hydrogen 3.440 N/A ARG 358.A NE ARG 360.A O no hydrogen 2.922 N/A ARG 358.A NH1 PHE 297.A O no hydrogen 2.883 N/A ARG 358.A NH2 ARG 360.A O no hydrogen 3.486 N/A ARG 359.A N GLU 138.A O no hydrogen 2.972 N/A ARG 359.A NH1 ARG 359.A O no hydrogen 3.239 N/A HIS 362.A N ASP 366.A OD2 no hydrogen 2.701 N/A ASP 366.A N ASN 363.A O no hydrogen 3.053 N/A SER 369.A N ASP 367.A OD1 no hydrogen 3.362 N/A SER 369.A OG ASP 367.A OD1 no hydrogen 2.893 N/A MET 370.A N ASP 367.A O no hydrogen 3.076 N/A GLN 372.A N PRO 368.A O no hydrogen 2.863 N/A GLN 372.A NE2 THR 298.A O no hydrogen 2.802 N/A TYR 374.A OH LEU 27.A O no hydrogen 3.251 N/A TYR 376.A N GLN 372.A O no hydrogen 3.149 N/A TYR 376.A OH ARG 358.A O no hydrogen 2.605 N/A TYR 376.A OH ARG 360.A O no hydrogen 3.307 N/A ASP 377.A N PRO 373.A O no hydrogen 2.958 N/A ASP 377.A N TYR 374.A O no hydrogen 3.183 N/A VAL 378.A N TYR 374.A O no hydrogen 3.174 N/A ILE 379.A N MET 375.A O no hydrogen 2.898 N/A ASP 380.A N TYR 376.A O no hydrogen 3.231 N/A THR 381.A N VAL 378.A O no hydrogen 3.119 N/A THR 381.A OG1 VAL 378.A O no hydrogen 3.094 N/A LYS 382.A N ILE 379.A O no hydrogen 3.045 N/A LYS 382.A NZ PRO 24.A O no hydrogen 2.806 N/A LYS 382.A NZ ASP 327.A OD2 no hydrogen 2.874 N/A SER 385.A OG THR 142.A OG1 no hydrogen 2.791 N/A SER 385.A OG GLY 326.A O no hydrogen 3.232 N/A ARG 386.A NE GLU 119.A OE1 no hydrogen 3.053 N/A ALA 388.A N GLY 384.A O no hydrogen 3.051 N/A TYR 389.A N SER 385.A O no hydrogen 2.905 N/A TYR 389.A OH GLU 330.A OE1 no hydrogen 2.690 N/A THR 390.A N ARG 386.A O no hydrogen 2.974 N/A THR 390.A OG1 ARG 386.A O no hydrogen 2.683 N/A GLU 391.A N LYS 387.A O no hydrogen 2.987 N/A ALA 392.A N ALA 388.A O no hydrogen 2.923 N/A LEU 393.A N TYR 389.A O no hydrogen 3.171 N/A ILE 394.A N THR 390.A O no hydrogen 3.390 N/A GLY 395.A N GLU 391.A O no hydrogen 3.215 N/A ARG 396.A N ALA 392.A O no hydrogen 2.979 N/A ARG 396.A NE ASP 398.A OD2 no hydrogen 3.377 N/A ARG 396.A NH2 GLU 330.A OE1 no hydrogen 2.744 N/A ARG 396.A NH2 ASP 398.A OD2 no hydrogen 3.476 N/A GLY 397.A N ILE 394.A O no hydrogen 3.044 N/A ILE 399.A N LEU 393.A O no hydrogen 3.265 N/A SER 400.A N GLU 403.A OE1 no hydrogen 2.777 N/A SER 400.A OG GLU 403.A OE1 no hydrogen 3.343 N/A GLU 403.A N SER 400.A OG no hydrogen 3.356 N/A ALA 404.A N SER 400.A O no hydrogen 2.962 N/A GLU 405.A N MET 401.A O no hydrogen 3.054 N/A ASP 406.A N LYS 402.A O no hydrogen 2.877 N/A ALA 407.A N GLU 403.A O no hydrogen 2.880 N/A LEU 408.A N ALA 404.A O no hydrogen 2.972 N/A ARG 409.A N GLU 405.A O no hydrogen 2.872 N/A ASP 410.A N ASP 406.A O no hydrogen 2.820 N/A TYR 411.A N ALA 407.A O no hydrogen 2.958 N/A TYR 411.A OH THR 123.A OG1 no hydrogen 3.208 N/A GLN 412.A N LEU 408.A O no hydrogen 3.027 N/A GLY 413.A N ARG 409.A O no hydrogen 2.830 N/A GLN 414.A N ASP 410.A O no hydrogen 2.928 N/A LEU 415.A N TYR 411.A O no hydrogen 2.917 N/A GLU 416.A N GLN 412.A O no hydrogen 2.815 N/A ARG 417.A N GLY 413.A O no hydrogen 2.922 N/A ARG 417.A NH1 GLU 421.A OE2 no hydrogen 3.242 N/A ARG 417.A NH2 GLN 414.A OE1 no hydrogen 3.253 N/A VAL 418.A N GLN 414.A O no hydrogen 3.338 N/A ASN 420.A N GLU 416.A O no hydrogen 2.800 N/A GLU 421.A N ARG 417.A O no hydrogen 2.869 N/A VAL 422.A N VAL 418.A O no hydrogen 3.003 N/A ARG 423.A N PHE 419.A O no hydrogen 2.875 N/A GLU 424.A N ASN 420.A O no hydrogen 2.953 N/A LEU 425.A N GLU 421.A O no hydrogen 3.118 N/A GLU 426.A N VAL 422.A O no hydrogen 2.807 N/A LYS 427.A N ARG 423.A O no hydrogen 3.077 N/A HIS 428.A N GLU 424.A O no hydrogen 3.251 N/A HIS 428.A ND1 GLU 424.A O no hydrogen 3.139 N/A THR 432.A OG1 HIS 649.A ND1 no hydrogen 2.699 N/A VAL 434.A N PHE 684.A O no hydrogen 3.201 N/A ALA 437.A N ASP 435.A OD2 no hydrogen 2.977 N/A MET 438.A N ASP 435.A O no hydrogen 2.895 N/A GLN 440.A N LYS 436.A O no hydrogen 2.956 N/A ARG 441.A N ALA 437.A O no hydrogen 2.971 N/A ARG 441.A NH2 THR 531.A O no hydrogen 2.704 N/A ILE 442.A N MET 438.A O no hydrogen 3.175 N/A GLY 443.A N LEU 439.A O no hydrogen 3.034 N/A ASP 444.A N GLN 440.A O no hydrogen 2.730 N/A ALA 445.A N ARG 441.A O no hydrogen 2.990 N/A HIS 446.A N GLY 443.A O no hydrogen 3.311 N/A HIS 446.A ND1 ILE 442.A O no hydrogen 2.798 N/A LEU 447.A N ASP 444.A O no hydrogen 2.998 N/A ALA 448.A N ALA 445.A O no hydrogen 3.279 N/A PHE 453.A N PRO 450.A O no hydrogen 3.111 N/A THR 454.A N ASP 516.A OD1 no hydrogen 2.860 N/A ARG 458.A N HIS 456.A ND1 no hydrogen 3.130 N/A VAL 459.A N HIS 456.A O no hydrogen 2.912 N/A ARG 460.A N HIS 456.A O no hydrogen 3.221 N/A VAL 462.A N VAL 459.A O no hydrogen 2.943 N/A LEU 463.A N VAL 459.A O no hydrogen 3.228 N/A GLU 464.A N ARG 460.A O no hydrogen 3.085 N/A LYS 465.A N PRO 461.A O no hydrogen 2.823 N/A ARG 466.A N VAL 462.A O no hydrogen 2.997 N/A ARG 466.A NH1 HIS 446.A NE2 no hydrogen 3.385 N/A ARG 466.A NH1 ARG 510.A O no hydrogen 2.744 N/A ARG 466.A NH2 ARG 510.A O no hydrogen 2.763 N/A ARG 467.A N LEU 463.A O no hydrogen 3.317 N/A GLU 468.A N GLU 464.A O no hydrogen 3.176 N/A MET 469.A N LYS 465.A O no hydrogen 2.870 N/A ALA 470.A N ARG 466.A O no hydrogen 2.983 N/A TYR 471.A N ARG 467.A O no hydrogen 3.309 N/A TYR 471.A N GLU 468.A O no hydrogen 3.211 N/A TYR 471.A OH ASP 444.A OD1 no hydrogen 2.902 N/A TYR 471.A OH ASP 444.A OD2 no hydrogen 3.100 N/A GLU 472.A N GLU 468.A O no hydrogen 2.707 N/A GLY 473.A N MET 469.A O no hydrogen 2.904 N/A ARG 474.A NH2 LYS 675.A O no hydrogen 2.738 N/A ILE 475.A N SER 679.A O no hydrogen 2.881 N/A PHE 479.A N ASP 476.A OD1 no hydrogen 3.073 N/A ALA 480.A N ASP 476.A O no hydrogen 3.109 N/A GLU 481.A N TRP 477.A O no hydrogen 3.128 N/A LEU 483.A N PHE 479.A O no hydrogen 2.790 N/A ALA 484.A N ALA 480.A O no hydrogen 2.966 N/A LEU 485.A N GLU 481.A O no hydrogen 3.041 N/A GLY 486.A N LEU 482.A O no hydrogen 2.773 N/A SER 487.A N LEU 483.A O no hydrogen 3.046 N/A SER 487.A OG LEU 483.A O no hydrogen 3.064 N/A SER 487.A OG ALA 484.A O no hydrogen 2.896 N/A LEU 488.A N ALA 484.A O no hydrogen 3.207 N/A ILE 489.A N LEU 485.A O no hydrogen 3.104 N/A ALA 490.A N GLY 486.A O no hydrogen 3.029 N/A GLU 491.A N SER 487.A O no hydrogen 3.117 N/A GLU 491.A N LEU 488.A O no hydrogen 3.130 N/A GLY 492.A N ILE 489.A O no hydrogen 2.863 N/A LYS 493.A N LEU 488.A O no hydrogen 2.906 N/A LYS 493.A NZ ASP 567.A O no hydrogen 2.780 N/A LYS 493.A NZ GLY 655.A O no hydrogen 3.101 N/A VAL 495.A N LYS 541.A O no hydrogen 2.843 N/A ARG 496.A N MET 569.A O no hydrogen 2.759 N/A ARG 496.A NE GLU 558.A OE1 no hydrogen 2.714 N/A ARG 496.A NH1 GLY 280.A O no hydrogen 3.015 N/A ARG 496.A NH1 GLU 558.A OE2 no hydrogen 2.896 N/A ARG 496.A NH2 GLY 280.A O no hydrogen 2.939 N/A LEU 497.A N LEU 543.A O no hydrogen 2.798 N/A SER 498.A N LEU 571.A O no hydrogen 3.147 N/A GLN 500.A NE2 SER 550.A O no hydrogen 3.504 N/A GLN 500.A NE2 GLU 551.A OE1 no hydrogen 2.747 N/A THR 502.A N GLY 499.A O no hydrogen 3.368 N/A THR 502.A OG1 GLU 573.A OE1 no hydrogen 2.956 N/A GLN 503.A N ASN 546.A OD1 no hydrogen 3.124 N/A GLN 503.A NE2 VAL 544.A O no hydrogen 3.167 N/A ARG 504.A NE GLY 505.A O no hydrogen 2.837 N/A ARG 504.A NH2 GLY 505.A O no hydrogen 2.882 N/A GLY 505.A N ASP 501.A O no hydrogen 2.846 N/A PHE 507.A N GLN 509.A OE1 no hydrogen 2.997 N/A THR 508.A N GLY 505.A O no hydrogen 3.159 N/A GLN 509.A N GLN 509.A OE1 no hydrogen 2.834 N/A ARG 510.A N ARG 504.A O no hydrogen 2.947 N/A ARG 510.A NE GLU 481.A OE2 no hydrogen 2.729 N/A ARG 510.A NH1 THR 502.A O no hydrogen 3.048 N/A ARG 510.A NH1 GLU 573.A OE1 no hydrogen 2.856 N/A ARG 510.A NH1 GLU 573.A OE2 no hydrogen 3.523 N/A ARG 510.A NH2 GLU 481.A OE1 no hydrogen 3.429 N/A ARG 510.A NH2 GLU 481.A OE2 no hydrogen 2.934 N/A ARG 510.A NH2 GLU 573.A OE2 no hydrogen 2.728 N/A HIS 511.A N ARG 504.A O no hydrogen 2.923 N/A HIS 511.A NE2 THR 508.A O no hydrogen 3.078 N/A ALA 512.A N GLN 503.A O no hydrogen 2.778 N/A ILE 514.A N PHE 523.A O no hydrogen 2.844 N/A ASP 516.A N GLU 521.A O no hydrogen 2.800 N/A ARG 517.A N THR 454.A O no hydrogen 2.816 N/A ARG 517.A NH1 ARG 517.A O no hydrogen 2.945 N/A LYS 518.A N ASP 516.A OD2 no hydrogen 2.920 N/A THR 519.A N ASP 516.A OD2 no hydrogen 2.770 N/A THR 519.A OG1 GLU 521.A OE2 no hydrogen 3.273 N/A GLY 520.A N ASP 516.A O no hydrogen 2.869 N/A GLU 521.A N THR 519.A OG1 no hydrogen 3.196 N/A PHE 523.A N ILE 514.A O no hydrogen 2.897 N/A GLN 527.A N THR 524.A O no hydrogen 3.076 N/A LEU 528.A N PRO 525.A O no hydrogen 3.210 N/A LEU 529.A N LEU 526.A O no hydrogen 3.138 N/A ALA 530.A N GLN 527.A O no hydrogen 3.307 N/A THR 531.A N LEU 528.A O no hydrogen 3.436 N/A ASN 532.A N THR 536.A O no hydrogen 2.808 N/A GLY 535.A N ASN 532.A O no hydrogen 2.830 N/A THR 536.A OG1 ASP 534.A OD2 no hydrogen 3.250 N/A THR 538.A N ALA 530.A O no hydrogen 2.807 N/A THR 538.A OG1 ILE 489.A O no hydrogen 2.832 N/A THR 538.A OG1 ALA 530.A O no hydrogen 3.222 N/A GLY 540.A N THR 538.A OG1 no hydrogen 3.019 N/A LYS 541.A N LYS 493.A O no hydrogen 3.282 N/A PHE 542.A N GLN 527.A OE1 no hydrogen 2.775 N/A LEU 543.A N VAL 495.A O no hydrogen 2.760 N/A TYR 545.A N LEU 497.A O no hydrogen 3.019 N/A SER 547.A N GLY 499.A O no hydrogen 2.911 N/A SER 547.A OG ALA 548.A O no hydrogen 2.763 N/A SER 550.A N ALA 548.A O no hydrogen 2.809 N/A ALA 553.A N GLU 271.A OE1 no hydrogen 2.930 N/A VAL 555.A N GLU 551.A O no hydrogen 2.859 N/A GLY 556.A N PHE 552.A O no hydrogen 3.089 N/A PHE 557.A N ALA 553.A O no hydrogen 2.892 N/A GLU 558.A N ALA 554.A O no hydrogen 3.125 N/A TYR 559.A N VAL 555.A O no hydrogen 2.941 N/A GLY 560.A N GLY 556.A O no hydrogen 3.009 N/A TYR 561.A N PHE 557.A O no hydrogen 2.818 N/A TYR 561.A OH ASP 237.A OD2 no hydrogen 2.564 N/A SER 562.A N GLU 558.A O no hydrogen 3.064 N/A SER 562.A OG TYR 559.A O no hydrogen 2.583 N/A SER 562.A OG SER 602.A OG no hydrogen 2.581 N/A VAL 563.A N TYR 559.A O no hydrogen 3.138 N/A GLY 564.A N GLY 560.A O no hydrogen 2.854 N/A ASN 565.A N TYR 561.A O no hydrogen 2.959 N/A ASP 567.A N ASN 565.A OD1 no hydrogen 3.135 N/A ALA 568.A N ASN 565.A O no hydrogen 3.123 N/A MET 569.A N LEU 494.A O no hydrogen 2.754 N/A LEU 571.A N ARG 496.A O no hydrogen 2.820 N/A TRP 572.A N VAL 605.A O no hydrogen 2.845 N/A GLU 573.A N SER 498.A O no hydrogen 2.963 N/A ALA 574.A N LEU 607.A O no hydrogen 2.958 N/A GLN 575.A NE2 ASP 501.A OD2 no hydrogen 2.996 N/A GLN 575.A NE2 THR 506.A OG1 no hydrogen 2.965 N/A GLY 577.A N PRO 609.A O no hydrogen 2.789 N/A PHE 579.A N PHE 576.A O no hydrogen 3.162 N/A VAL 580.A N GLY 577.A O no hydrogen 3.116 N/A GLY 582.A N PHE 579.A O no hydrogen 3.114 N/A ALA 583.A N VAL 580.A O no hydrogen 2.715 N/A GLN 584.A N ASN 581.A O no hydrogen 3.215 N/A GLN 584.A NE2 ASP 588.A OD1 no hydrogen 2.945 N/A ILE 587.A N ALA 583.A O no hydrogen 3.101 N/A ASP 588.A N GLN 584.A O no hydrogen 2.739 N/A GLU 589.A N SER 585.A O no hydrogen 2.780 N/A PHE 590.A N ILE 586.A O no hydrogen 2.942 N/A ILE 591.A N ILE 586.A O no hydrogen 3.021 N/A SER 592.A N ILE 587.A O no hydrogen 3.062 N/A SER 592.A OG ILE 587.A O no hydrogen 2.770 N/A SER 593.A OG ASP 588.A O no hydrogen 2.685 N/A GLY 594.A N PHE 590.A O no hydrogen 2.796 N/A LYS 597.A N SER 593.A O no hydrogen 3.135 N/A LYS 597.A NZ GLU 589.A O no hydrogen 2.828 N/A LYS 597.A NZ SER 593.A OG no hydrogen 3.239 N/A TRP 598.A N GLY 594.A O no hydrogen 3.011 N/A GLY 599.A N GLU 595.A O no hydrogen 2.914 N/A GLN 600.A NE2 TYR 559.A OH no hydrogen 2.800 N/A SER 602.A OG SER 562.A OG no hydrogen 2.581 N/A VAL 604.A N SER 602.A OG no hydrogen 3.257 N/A VAL 605.A N VAL 570.A O no hydrogen 2.895 N/A LEU 606.A N LEU 663.A O no hydrogen 2.916 N/A LEU 607.A N TRP 572.A O no hydrogen 2.823 N/A LEU 608.A N VAL 665.A O no hydrogen 2.760 N/A HIS 610.A N THR 667.A O no hydrogen 2.806 N/A HIS 610.A NE2 GLU 769.A OE1 no hydrogen 2.768 N/A GLY 611.A N THR 620.A O no hydrogen 2.854 N/A HIS 612.A N GLU 768.A OE1 no hydrogen 3.218 N/A HIS 619.A N GLY 616.A O no hydrogen 3.203 N/A THR 620.A N ASP 578.A OD1 no hydrogen 2.900 N/A THR 620.A OG1 GLY 616.A O no hydrogen 2.685 N/A SER 621.A N ASP 578.A OD1 no hydrogen 2.774 N/A GLY 622.A N HIS 610.A ND1 no hydrogen 2.887 N/A ARG 623.A N SER 621.A OG no hydrogen 2.881 N/A GLU 625.A N GLU 625.A OE1 no hydrogen 2.892 N/A ARG 626.A N ARG 623.A O no hydrogen 3.002 N/A ARG 626.A NH1 GLN 584.A OE1 no hydrogen 3.004 N/A PHE 627.A N ARG 623.A O no hydrogen 3.437 N/A LEU 628.A N ILE 624.A O no hydrogen 2.947 N/A GLN 629.A N GLU 625.A O no hydrogen 3.069 N/A LEU 630.A N ARG 626.A O no hydrogen 3.086 N/A TRP 631.A N PHE 627.A O no hydrogen 3.080 N/A TRP 631.A NE1 MET 636.A O no hydrogen 2.907 N/A ALA 632.A N SER 635.A OG no hydrogen 3.390 N/A SER 635.A N ALA 632.A O no hydrogen 2.997 N/A SER 635.A OG ALA 632.A O no hydrogen 3.097 N/A THR 637.A N PRO 662.A O no hydrogen 2.869 N/A ILE 638.A N ALA 743.A O no hydrogen 2.810 N/A ALA 639.A N ILE 664.A O no hydrogen 2.801 N/A MET 640.A N GLU 740.A O no hydrogen 2.906 N/A SER 642.A N GLU 740.A OE1 no hydrogen 3.038 N/A SER 642.A OG GLU 740.A OE1 no hydrogen 3.447 N/A SER 642.A OG GLU 740.A OE2 no hydrogen 2.714 N/A ALA 645.A N SER 679.A OG no hydrogen 3.071 N/A ASN 646.A ND2 ARG 690.A O no hydrogen 2.764 N/A ASN 646.A ND2 GLU 740.A OE1 no hydrogen 2.741 N/A TYR 647.A N THR 643.A O no hydrogen 3.079 N/A TYR 647.A OH GLU 481.A OE1 no hydrogen 2.727 N/A PHE 648.A N PRO 644.A O no hydrogen 2.941 N/A HIS 649.A N ALA 645.A O no hydrogen 2.973 N/A HIS 649.A ND1 THR 432.A OG1 no hydrogen 2.699 N/A HIS 649.A NE2 ASP 683.A O no hydrogen 2.731 N/A LEU 650.A N ASN 646.A O no hydrogen 2.994 N/A LEU 651.A N TYR 647.A O no hydrogen 3.007 N/A ARG 652.A N PHE 648.A O no hydrogen 3.077 N/A ARG 652.A NE THR 432.A O no hydrogen 2.604 N/A ARG 652.A NH1 GLU 491.A OE1 no hydrogen 3.296 N/A ARG 652.A NH1 GLU 491.A OE2 no hydrogen 3.239 N/A ARG 652.A NH2 THR 432.A O no hydrogen 3.408 N/A ARG 652.A NH2 GLU 491.A OE2 no hydrogen 2.939 N/A ARG 653.A N HIS 649.A O no hydrogen 2.912 N/A ARG 653.A NH1 GLN 741.A OE1 no hydrogen 3.445 N/A ARG 653.A NH2 GLN 741.A OE1 no hydrogen 2.757 N/A HIS 654.A N LEU 650.A O no hydrogen 3.123 N/A HIS 654.A NE2 ASP 603.A O no hydrogen 2.666 N/A GLY 655.A N LEU 651.A O no hydrogen 2.909 N/A LYS 656.A N ARG 653.A O no hydrogen 3.117 N/A LYS 656.A NZ GLU 491.A OE1 no hydrogen 2.934 N/A ASP 657.A N ARG 653.A O no hydrogen 2.753 N/A ILE 659.A N ASP 657.A OD1 no hydrogen 2.972 N/A GLN 660.A NE2 PRO 566.A O no hydrogen 3.056 N/A ARG 661.A N ILE 659.A O no hydrogen 2.996 N/A ARG 661.A NE GLU 595.A OE1 no hydrogen 2.790 N/A ARG 661.A NE GLU 595.A OE2 no hydrogen 3.345 N/A ARG 661.A NH2 GLU 595.A OE2 no hydrogen 2.835 N/A LEU 663.A N VAL 604.A O no hydrogen 2.986 N/A ILE 664.A N THR 637.A O no hydrogen 2.736 N/A VAL 665.A N LEU 606.A O no hydrogen 2.871 N/A PHE 666.A N ALA 639.A O no hydrogen 2.987 N/A THR 667.A N LEU 608.A O no hydrogen 3.115 N/A LYS 669.A NZ GLY 611.A O no hydrogen 2.732 N/A LYS 669.A NZ HIS 619.A O no hydrogen 2.894 N/A SER 670.A N GLU 613.A OE2 no hydrogen 2.892 N/A SER 670.A OG GLU 613.A OE2 no hydrogen 2.909 N/A LEU 672.A N LYS 669.A O no hydrogen 3.361 N/A ARG 673.A N SER 670.A O no hydrogen 2.941 N/A ARG 673.A NH1 PHE 507.A O no hydrogen 2.873 N/A ARG 673.A NH1 THR 508.A O no hydrogen 3.476 N/A ARG 673.A NH2 PHE 507.A O no hydrogen 2.844 N/A ASN 674.A N MET 671.A O no hydrogen 3.274 N/A ALA 676.A N ASN 674.A OD1 no hydrogen 2.916 N/A ALA 677.A N ASN 674.A O no hydrogen 3.069 N/A SER 679.A N ILE 475.A O no hydrogen 2.890 N/A ASP 680.A N ASP 683.A OD2 no hydrogen 2.935 N/A ASP 683.A N ASP 680.A O no hydrogen 3.044 N/A PHE 684.A N ILE 681.A O no hydrogen 2.964 N/A THR 685.A N ILE 681.A O no hydrogen 3.159 N/A THR 685.A OG1 ILE 681.A O no hydrogen 3.344 N/A THR 685.A OG1 GLU 686.A OE1 no hydrogen 3.067 N/A GLU 686.A N ARG 682.A O no hydrogen 2.830 N/A SER 687.A OG LYS 688.A O no hydrogen 3.394 N/A LYS 688.A N SER 687.A OG no hydrogen 2.778 N/A ARG 690.A N ASN 646.A OD1 no hydrogen 2.857 N/A LEU 693.A N ARG 738.A O no hydrogen 2.907 N/A TYR 698.A N GLU 695.A O no hydrogen 3.067 N/A THR 699.A OG1 PRO 696.A O no hydrogen 3.555 N/A THR 699.A OG1 ASP 700.A OD2 no hydrogen 2.781 N/A ASP 700.A N PRO 696.A O no hydrogen 2.743 N/A GLY 701.A N PRO 696.A O no hydrogen 2.930 N/A GLY 703.A N MET 697.A O no hydrogen 2.800 N/A ARG 705.A NE GLU 694.A OE1 no hydrogen 2.844 N/A ARG 705.A NH2 GLU 694.A OE1 no hydrogen 3.127 N/A ARG 705.A NH2 GLU 694.A OE2 no hydrogen 3.278 N/A ASN 706.A N ASP 704.A OD1 no hydrogen 3.034 N/A LYS 707.A N ASP 704.A O no hydrogen 3.339 N/A VAL 708.A N ARG 705.A O no hydrogen 3.396 N/A THR 709.A N ASP 733.A O no hydrogen 2.869 N/A THR 709.A OG1 ASP 733.A O no hydrogen 3.452 N/A ARG 710.A N ASP 733.A O no hydrogen 2.966 N/A ARG 710.A NE GLU 762.A OE1 no hydrogen 2.824 N/A ARG 710.A NH1 ALA 824.A O no hydrogen 2.767 N/A ARG 710.A NH1 GLY 826.A O no hydrogen 2.893 N/A ARG 710.A NH2 GLU 762.A OE1 no hydrogen 3.106 N/A ARG 710.A NH2 GLY 826.A O no hydrogen 2.850 N/A LEU 711.A N GLU 762.A O no hydrogen 2.971 N/A LEU 712.A N ALA 735.A O no hydrogen 2.910 N/A LEU 713.A N PHE 764.A O no hydrogen 2.731 N/A THR 714.A N VAL 737.A O no hydrogen 2.964 N/A THR 714.A OG1 VAL 766.A O no hydrogen 2.805 N/A SER 715.A N THR 714.A OG1 no hydrogen 2.819 N/A SER 715.A OG ILE 739.A O no hydrogen 2.809 N/A LYS 717.A NZ HIS 612.A O no hydrogen 2.628 N/A LYS 717.A NZ GLU 768.A OE1 no hydrogen 3.308 N/A LYS 717.A NZ GLU 768.A OE2 no hydrogen 2.627 N/A TYR 719.A N GLY 716.A O no hydrogen 3.255 N/A TYR 720.A N LYS 717.A O no hydrogen 3.162 N/A TYR 720.A OH SER 642.A O no hydrogen 2.603 N/A LEU 722.A N ILE 718.A O no hydrogen 3.015 N/A ALA 723.A N TYR 719.A O no hydrogen 2.769 N/A ALA 724.A N TYR 720.A O no hydrogen 2.902 N/A ARG 725.A N GLU 721.A O no hydrogen 3.113 N/A ARG 725.A NE GLU 729.A OE2 no hydrogen 2.600 N/A ARG 725.A NH1 ASP 822.A OD1 no hydrogen 2.713 N/A ARG 725.A NH2 ASP 822.A OD1 no hydrogen 3.003 N/A LYS 726.A N LEU 722.A O no hydrogen 2.956 N/A LYS 726.A NZ GLU 695.A OE1 no hydrogen 3.166 N/A LYS 726.A NZ GLU 695.A OE2 no hydrogen 2.957 N/A LYS 726.A NZ TYR 698.A OH no hydrogen 2.760 N/A LYS 726.A NZ VAL 734.A O no hydrogen 2.787 N/A ALA 727.A N ALA 723.A O no hydrogen 2.954 N/A LYS 728.A N ALA 724.A O no hydrogen 2.901 N/A GLU 729.A N ARG 725.A O no hydrogen 3.231 N/A ASN 730.A N ALA 727.A O no hydrogen 3.347 N/A ARG 731.A N LYS 726.A O no hydrogen 2.981 N/A ARG 731.A NE ASP 733.A OD1 no hydrogen 3.008 N/A ARG 731.A NE ASP 733.A OD2 no hydrogen 3.367 N/A ARG 731.A NH2 ASP 733.A OD2 no hydrogen 2.452 N/A VAL 734.A N ARG 731.A O no hydrogen 3.429 N/A ALA 735.A N ARG 710.A O no hydrogen 3.131 N/A ILE 736.A N GLU 695.A OE2 no hydrogen 2.766 N/A VAL 737.A N LEU 712.A O no hydrogen 2.822 N/A ARG 738.A N LEU 693.A O no hydrogen 2.857 N/A ARG 738.A NH1 GLU 694.A O no hydrogen 3.223 N/A ARG 738.A NH2 SER 642.A OG no hydrogen 2.828 N/A ILE 739.A N THR 714.A O no hydrogen 2.831 N/A GLU 740.A N SER 691.A O no hydrogen 2.846 N/A GLN 741.A N SER 691.A O no hydrogen 3.324 N/A GLN 741.A NE2 PRO 744.A O no hydrogen 2.910 N/A LEU 742.A N ILE 638.A O no hydrogen 2.774 N/A ALA 743.A N ILE 638.A O no hydrogen 3.151 N/A ARG 747.A N LEU 745.A O no hydrogen 2.861 N/A ARG 747.A NE ILE 786.A O no hydrogen 3.134 N/A ARG 747.A NH2 ILE 786.A O no hydrogen 3.323 N/A ARG 749.A NH2 SER 691.A OG no hydrogen 3.198 N/A LEU 750.A N PRO 746.A O no hydrogen 2.831 N/A ALA 751.A N ARG 747.A O no hydrogen 2.976 N/A GLU 752.A N ARG 748.A O no hydrogen 2.913 N/A THR 753.A N ARG 749.A O no hydrogen 3.135 N/A THR 753.A OG1 ARG 749.A O no hydrogen 3.067 N/A THR 753.A OG1 LEU 750.A O no hydrogen 2.624 N/A LEU 754.A N LEU 750.A O no hydrogen 3.099 N/A ASP 755.A N ALA 751.A O no hydrogen 3.126 N/A ARG 756.A N THR 753.A O no hydrogen 3.074 N/A TYR 757.A N LEU 754.A O no hydrogen 3.207 N/A TYR 757.A OH GLU 694.A OE1 no hydrogen 2.633 N/A ASN 759.A ND2 ASN 706.A O no hydrogen 2.752 N/A LYS 761.A N THR 709.A O no hydrogen 2.720 N/A GLU 762.A N THR 709.A O no hydrogen 3.274 N/A LYS 763.A NZ HIS 790.A O no hydrogen 2.878 N/A PHE 764.A N LEU 711.A O no hydrogen 2.935 N/A TRP 765.A N LYS 795.A O no hydrogen 2.816 N/A TRP 765.A NE1 GLN 767.A OE1 no hydrogen 2.841 N/A VAL 766.A N LEU 713.A O no hydrogen 2.731 N/A GLN 767.A N ILE 797.A O no hydrogen 2.939 N/A GLN 767.A NE2 GLU 769.A O no hydrogen 2.959 N/A GLN 767.A NE2 GLN 773.A O no hydrogen 2.803 N/A ALA 771.A N ARG 799.A O no hydrogen 2.787 N/A ASN 772.A ND2 MET 802.A O no hydrogen 2.970 N/A GLN 773.A N PRO 770.A O no hydrogen 2.808 N/A GLN 773.A NE2 ASN 772.A OD1 no hydrogen 3.379 N/A GLN 773.A NE2 MET 802.A O no hydrogen 3.008 N/A GLN 773.A NE2 ALA 804.A O no hydrogen 3.126 N/A GLY 774.A N GLU 625.A OE1 no hydrogen 2.847 N/A TRP 776.A N GLN 767.A OE1 no hydrogen 3.008 N/A SER 778.A N ALA 775.A O no hydrogen 3.256 N/A SER 778.A OG ALA 775.A O no hydrogen 3.203 N/A PHE 779.A N ALA 775.A O no hydrogen 2.817 N/A GLY 780.A N TRP 776.A O no hydrogen 2.734 N/A LEU 781.A N SER 778.A O no hydrogen 3.217 N/A THR 782.A N SER 778.A O no hydrogen 2.809 N/A THR 782.A OG1 SER 778.A O no hydrogen 2.943 N/A LEU 783.A N PHE 779.A O no hydrogen 2.937 N/A GLU 785.A N THR 782.A O no hydrogen 2.923 N/A ILE 786.A N THR 782.A O no hydrogen 2.821 N/A LEU 787.A N LEU 783.A O no hydrogen 2.956 N/A HIS 790.A N LEU 787.A O no hydrogen 3.163 N/A HIS 790.A NE2 ASP 755.A OD1 no hydrogen 2.727 N/A PHE 791.A N LEU 787.A O no hydrogen 2.903 N/A THR 792.A OG1 PRO 788.A O no hydrogen 2.746 N/A LEU 794.A N PHE 791.A O no hydrogen 3.158 N/A LYS 795.A N LYS 763.A O no hydrogen 3.210 N/A ARG 796.A NH1 SER 798.A OG no hydrogen 2.802 N/A ILE 797.A N TRP 765.A O no hydrogen 2.851 N/A SER 798.A OG ARG 799.A O no hydrogen 2.811 N/A ARG 799.A NE GLU 816.A OE1 no hydrogen 2.943 N/A ARG 799.A NH1 GLU 768.A O no hydrogen 2.661 N/A ARG 799.A NH1 GLN 817.A OE1 no hydrogen 3.145 N/A ARG 799.A NH2 HIS 813.A O no hydrogen 3.070 N/A ARG 799.A NH2 GLN 817.A OE1 no hydrogen 2.891 N/A MET 802.A N ASN 772.A OD1 no hydrogen 3.131 N/A SER 806.A OG SER 807.A O no hydrogen 3.164 N/A SER 809.A N SER 807.A OG no hydrogen 3.134 N/A LYS 811.A N SER 809.A OG no hydrogen 3.092 N/A VAL 812.A N SER 809.A OG no hydrogen 3.085 N/A HIS 813.A N SER 809.A O no hydrogen 3.059 N/A ALA 814.A N SER 810.A O no hydrogen 3.131 N/A VAL 815.A N LYS 811.A O no hydrogen 3.206 N/A GLU 816.A N VAL 812.A O no hydrogen 2.993 N/A GLN 817.A N HIS 813.A O no hydrogen 2.811 N/A GLN 817.A NE2 GLU 721.A OE1 no hydrogen 2.898 N/A GLN 817.A NE2 GLU 721.A OE2 no hydrogen 3.503 N/A GLN 817.A NE2 GLU 768.A OE2 no hydrogen 2.970 N/A GLN 818.A N ALA 814.A O no hydrogen 3.136 N/A GLU 819.A N VAL 815.A O no hydrogen 2.947 N/A ILE 820.A N GLU 816.A O no hydrogen 3.167 N/A LEU 821.A N GLN 817.A O no hydrogen 3.287 N/A ASP 822.A N GLN 818.A O no hydrogen 2.849 N/A THR 823.A N GLU 819.A O no hydrogen 2.959 N/A THR 823.A OG1 GLU 819.A O no hydrogen 2.591 N/A ALA 824.A N ILE 820.A O no hydrogen 3.018 N/A PHE 825.A N LEU 821.A O no hydrogen 3.314 N/A GLY 826.A N THR 823.A O no hydrogen 3.360 N/A