Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kre_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 8.A NH1 GLY 121.A O no hydrogen 3.201 N/A ARG 8.A NH2 GLY 121.A O no hydrogen 2.726 N/A ARG 9.A N PHE 701.A O no hydrogen 2.828 N/A ARG 9.A NH1 ASP 704.A O no hydrogen 2.785 N/A ARG 9.A NH2 HIS 699.A O no hydrogen 3.456 N/A ARG 9.A NH2 ASP 704.A O no hydrogen 3.210 N/A ARG 9.A NH2 ASP 704.A OD1 no hydrogen 2.904 N/A GLY 13.A N ASP 694.A OD2 no hydrogen 2.846 N/A THR 14.A N ASP 734.A OD1 no hydrogen 3.042 N/A THR 14.A N ASP 734.A OD2 no hydrogen 2.883 N/A THR 14.A OG1 ASP 734.A OD2 no hydrogen 3.042 N/A VAL 15.A N ASP 734.A OD1 no hydrogen 2.881 N/A LYS 17.A N VAL 373.A O no hydrogen 3.066 N/A ILE 19.A N GLY 371.A O no hydrogen 2.856 N/A LEU 21.A N VAL 369.A O no hydrogen 2.779 N/A LEU 22.A N PHE 673.A O no hydrogen 2.834 N/A ALA 23.A N THR 367.A O no hydrogen 3.064 N/A ASN 24.A N ARG 671.A O no hydrogen 3.306 N/A ASN 24.A ND2 ILE 188.A O no hydrogen 2.983 N/A ASN 24.A ND2 HIS 669.A O no hydrogen 2.879 N/A TYR 25.A OH THR 670.A OG1 no hydrogen 2.797 N/A PHE 26.A N LEU 186.A O no hydrogen 2.824 N/A VAL 28.A N MET 184.A O no hydrogen 2.803 N/A ASP 29.A N LYS 361.A O no hydrogen 2.813 N/A VAL 35.A N VAL 109.A O no hydrogen 2.842 N/A TYR 36.A N THR 81.A O no hydrogen 2.904 N/A HIS 37.A N ALA 107.A O no hydrogen 2.879 N/A HIS 37.A NE2 ASN 78.A OD1 no hydrogen 2.807 N/A TYR 38.A N ILE 79.A O no hydrogen 2.803 N/A GLU 39.A N LYS 104.A O no hydrogen 2.847 N/A VAL 40.A N LYS 77.A O no hydrogen 2.780 N/A ASP 41.A N SER 102.A O no hydrogen 2.837 N/A LYS 43.A N LYS 100.A O no hydrogen 2.733 N/A CYS 47.A SG PRO 44.A O no hydrogen 3.732 N/A ASN 52.A N PRO 48.A O no hydrogen 3.049 N/A ASN 52.A ND2 GLY 75.A O no hydrogen 2.938 N/A ARG 53.A N ARG 49.A O no hydrogen 2.861 N/A ARG 53.A NH1 TYR 73.A O no hydrogen 2.809 N/A ARG 53.A NH2 TYR 73.A O no hydrogen 3.503 N/A GLU 54.A N ARG 50.A O no hydrogen 3.128 N/A VAL 55.A N VAL 51.A O no hydrogen 3.033 N/A VAL 56.A N ASN 52.A O no hydrogen 3.029 N/A GLU 57.A N ARG 53.A O no hydrogen 2.859 N/A TYR 58.A N GLU 54.A O no hydrogen 3.041 N/A MET 59.A N VAL 55.A O no hydrogen 3.050 N/A VAL 60.A N VAL 56.A O no hydrogen 2.877 N/A GLN 61.A N GLU 57.A O no hydrogen 3.121 N/A GLN 61.A NE2 GLU 57.A OE2 no hydrogen 3.266 N/A HIS 62.A N TYR 58.A O no hydrogen 3.040 N/A HIS 62.A ND1 TYR 58.A O no hydrogen 2.916 N/A LYS 64.A NZ VAL 60.A O no hydrogen 3.014 N/A PHE 66.A N PHE 63.A O no hydrogen 3.041 N/A GLY 67.A N LYS 64.A O no hydrogen 2.819 N/A ARG 69.A N PHE 66.A O no hydrogen 2.997 N/A ARG 69.A NE THR 83.A OG1 no hydrogen 2.923 N/A ARG 69.A NH1 PHE 66.A O no hydrogen 3.175 N/A LYS 70.A N GLU 357.A OE2 no hydrogen 2.846 N/A VAL 72.A N TYR 80.A O no hydrogen 2.966 N/A TYR 73.A N HIS 139.A ND1 no hydrogen 3.072 N/A TYR 73.A OH LYS 76.A O no hydrogen 2.671 N/A ASP 74.A N ASN 78.A O no hydrogen 3.121 N/A LYS 76.A N ASP 74.A OD1 no hydrogen 2.912 N/A ASN 78.A N ASP 74.A OD1 no hydrogen 2.965 N/A ASN 78.A ND2 ASP 74.A OD2 no hydrogen 2.692 N/A ILE 79.A N TYR 38.A O no hydrogen 2.946 N/A TYR 80.A N VAL 72.A O no hydrogen 2.863 N/A THR 81.A N TYR 36.A O no hydrogen 2.934 N/A THR 81.A OG1 THR 83.A O no hydrogen 2.806 N/A LEU 85.A N TYR 38.A OH no hydrogen 2.701 N/A ILE 87.A N LEU 85.A O no hydrogen 2.585 N/A ARG 90.A N ILE 103.A O no hydrogen 2.784 N/A ASP 92.A N VAL 101.A O no hydrogen 2.528 N/A GLU 94.A N PHE 99.A O no hydrogen 2.731 N/A THR 96.A N ARG 97.A O no hydrogen 2.936 N/A THR 96.A OG1 ARG 97.A O no hydrogen 3.518 N/A PHE 99.A N GLU 94.A O no hydrogen 2.658 N/A LYS 100.A N LYS 43.A O no hydrogen 2.712 N/A VAL 101.A N ASP 92.A O no hydrogen 2.889 N/A SER 102.A N ASP 41.A O no hydrogen 2.914 N/A ILE 103.A N ARG 90.A O no hydrogen 2.891 N/A LYS 104.A N GLU 39.A O no hydrogen 3.120 N/A LYS 104.A NZ GLU 39.A OE1 no hydrogen 2.529 N/A LEU 106.A N HIS 37.A O no hydrogen 2.784 N/A ALA 107.A N HIS 37.A O no hydrogen 3.118 N/A VAL 109.A N VAL 35.A O no hydrogen 2.836 N/A TRP 111.A N ILE 33.A O no hydrogen 2.907 N/A TRP 111.A NE1 SER 129.A O no hydrogen 3.058 N/A MET 113.A N SER 110.A OG no hydrogen 2.900 N/A LEU 114.A N SER 110.A O no hydrogen 3.309 N/A HIS 115.A N TRP 111.A O no hydrogen 2.998 N/A GLU 116.A N ARG 112.A O no hydrogen 2.907 N/A ALA 117.A N MET 113.A O no hydrogen 3.015 N/A LEU 118.A N LEU 114.A O no hydrogen 3.150 N/A LEU 118.A N HIS 115.A O no hydrogen 3.035 N/A VAL 119.A N HIS 115.A O no hydrogen 2.978 N/A SER 120.A N GLU 116.A O no hydrogen 2.991 N/A SER 120.A OG GLU 116.A O no hydrogen 2.407 N/A GLY 121.A N ALA 117.A O no hydrogen 3.340 N/A GLU 128.A N GLU 128.A OE1 no hydrogen 2.784 N/A SER 129.A N PRO 126.A O no hydrogen 3.001 N/A SER 129.A OG SER 110.A O no hydrogen 2.821 N/A VAL 130.A N PRO 126.A O no hydrogen 3.260 N/A GLN 131.A N LEU 127.A O no hydrogen 2.906 N/A GLN 131.A NE2 TYR 80.A OH no hydrogen 2.970 N/A ALA 132.A N GLU 128.A O no hydrogen 3.203 N/A LEU 133.A N SER 129.A O no hydrogen 3.132 N/A ASP 134.A N VAL 130.A O no hydrogen 2.853 N/A VAL 135.A N GLN 131.A O no hydrogen 2.887 N/A ALA 136.A N ALA 132.A O no hydrogen 3.002 N/A MET 137.A N LEU 133.A O no hydrogen 2.979 N/A ARG 138.A N ASP 134.A O no hydrogen 3.138 N/A ARG 138.A NH1 ASP 134.A OD1 no hydrogen 2.904 N/A ARG 138.A NH1 GLN 175.A O no hydrogen 2.939 N/A ARG 138.A NH2 ARG 150.A O no hydrogen 3.021 N/A ARG 138.A NH2 GLN 175.A O no hydrogen 3.232 N/A SER 142.A N ARG 138.A O no hydrogen 2.988 N/A SER 142.A OG ARG 138.A O no hydrogen 2.874 N/A MET 143.A N HIS 139.A O no hydrogen 3.233 N/A MET 143.A N LEU 140.A O no hydrogen 2.987 N/A ARG 144.A N LEU 140.A O no hydrogen 3.019 N/A ARG 144.A N ALA 141.A O no hydrogen 3.220 N/A TYR 145.A N ALA 141.A O no hydrogen 2.912 N/A THR 146.A N PHE 153.A O no hydrogen 2.851 N/A VAL 148.A N SER 151.A O no hydrogen 2.898 N/A ARG 150.A NH1 GLU 630.A OE2 no hydrogen 3.376 N/A SER 151.A N VAL 148.A O no hydrogen 2.884 N/A PHE 152.A N PHE 173.A O no hydrogen 2.772 N/A PHE 153.A N THR 146.A O no hydrogen 2.828 N/A LEU 163.A N ARG 167.A O no hydrogen 2.753 N/A GLY 166.A N GLU 207.A OE1 no hydrogen 2.751 N/A ARG 167.A N GLY 164.A O no hydrogen 3.271 N/A ARG 167.A NH1 LYS 316.A O no hydrogen 3.510 N/A ARG 167.A NH1 GLN 321.A OE1 no hydrogen 2.869 N/A GLU 168.A N PHE 195.A O no hydrogen 2.831 N/A VAL 169.A N HIS 161.A O no hydrogen 3.031 N/A TRP 170.A N THR 193.A O no hydrogen 2.891 N/A TRP 170.A NE1 GLU 168.A OE1 no hydrogen 3.041 N/A PHE 171.A N TYR 159.A OH no hydrogen 2.807 N/A GLY 172.A N SER 191.A O.A no hydrogen 3.047 N/A GLY 172.A N SER 191.A O.B no hydrogen 2.837 N/A PHE 173.A N PHE 152.A O no hydrogen 2.958 N/A HIS 174.A N ASP 189.A O no hydrogen 2.823 N/A HIS 174.A NE2 SER 176.A OG no hydrogen 2.798 N/A GLN 175.A N ARG 150.A O no hydrogen 2.996 N/A GLN 175.A NE2 MET 137.A O no hydrogen 2.992 N/A SER 176.A N ASN 187.A O no hydrogen 3.044 N/A SER 176.A OG HIS 174.A NE2 no hydrogen 2.798 N/A ARG 178.A N MET 185.A O no hydrogen 2.881 N/A ARG 178.A NH1 SER 176.A OG no hydrogen 3.290 N/A ARG 178.A NH1 ASN 187.A OD1 no hydrogen 3.398 N/A ARG 178.A NH2 SER 176.A OG no hydrogen 3.141 N/A TRP 182.A N LEU 118.A O no hydrogen 2.874 N/A LYS 183.A N MET 181.A O no hydrogen 2.858 N/A LYS 183.A NZ ASP 29.A OD1 no hydrogen 2.642 N/A MET 185.A N ARG 178.A O no hydrogen 2.865 N/A LEU 186.A N PHE 26.A O no hydrogen 2.807 N/A ASN 187.A N SER 176.A O no hydrogen 2.779 N/A ASN 187.A ND2 ASN 24.A O no hydrogen 3.085 N/A ASN 187.A ND2 HIS 669.A O no hydrogen 3.143 N/A ILE 188.A N ASN 24.A O no hydrogen 3.186 N/A ASP 189.A N HIS 174.A O no hydrogen 3.206 N/A SER 191.A N.A GLY 172.A O no hydrogen 2.987 N/A SER 191.A N.B GLY 172.A O no hydrogen 2.992 N/A THR 193.A N TRP 170.A O no hydrogen 3.057 N/A PHE 195.A N GLU 168.A O no hydrogen 2.815 N/A TYR 196.A N GLN 311.A O no hydrogen 2.909 N/A LYS 197.A N GLY 166.A O no hydrogen 2.885 N/A LYS 197.A NZ TYR 160.A OH no hydrogen 2.791 N/A LYS 197.A NZ GLU 207.A OE2 no hydrogen 2.782 N/A VAL 201.A N CYS 305.A O no hydrogen 2.865 N/A PHE 204.A N PRO 200.A O no hydrogen 3.013 N/A MET 205.A N VAL 201.A O no hydrogen 2.765 N/A CYS 206.A N ILE 202.A O no hydrogen 2.967 N/A CYS 206.A SG ILE 202.A O no hydrogen 3.338 N/A GLU 207.A N GLU 203.A O no hydrogen 2.972 N/A VAL 208.A N PHE 204.A O no hydrogen 2.968 N/A LEU 209.A N MET 205.A O no hydrogen 2.866 N/A ASP 210.A N GLU 207.A O no hydrogen 3.281 N/A ILE 211.A N CYS 206.A O no hydrogen 2.853 N/A THR 218.A N GLN 221.A OE1 no hydrogen 2.940 N/A THR 218.A OG1 SER 220.A OG no hydrogen 2.940 N/A THR 218.A OG1 GLN 221.A OE1 no hydrogen 3.389 N/A SER 220.A OG THR 218.A OG1 no hydrogen 2.940 N/A GLN 221.A N THR 218.A OG1 no hydrogen 3.103 N/A ARG 222.A N THR 218.A O no hydrogen 2.951 N/A ARG 222.A NH2 ASP 219.A OD1 no hydrogen 2.364 N/A VAL 223.A N ASP 219.A O no hydrogen 3.121 N/A ARG 224.A N SER 220.A O no hydrogen 2.986 N/A ARG 224.A NH2 ASP 210.A OD2 no hydrogen 3.026 N/A PHE 225.A N GLN 221.A O no hydrogen 2.919 N/A THR 226.A N ARG 222.A O no hydrogen 2.809 N/A THR 226.A OG1 ARG 222.A O no hydrogen 2.617 N/A LYS 227.A N VAL 223.A O no hydrogen 3.068 N/A GLU 228.A N ARG 224.A O no hydrogen 3.379 N/A GLU 228.A N PHE 225.A O no hydrogen 3.203 N/A ILE 229.A N PHE 225.A O no hydrogen 3.027 N/A LYS 230.A N THR 226.A O no hydrogen 2.866 N/A GLY 231.A N VAL 246.A O no hydrogen 2.785 N/A LEU 232.A N ILE 229.A O no hydrogen 3.082 N/A LYS 233.A N GLN 311.A OE1 no hydrogen 2.847 N/A VAL 234.A N TYR 244.A O no hydrogen 2.857 N/A GLU 235.A N ASN 306.A O no hydrogen 2.902 N/A VAL 236.A N ARG 242.A O no hydrogen 2.992 N/A THR 237.A N VAL 304.A O no hydrogen 2.831 N/A THR 237.A OG1 VAL 304.A O no hydrogen 3.406 N/A CYS 239.A SG TYR 281.A OH no hydrogen 3.881 N/A TYR 244.A N VAL 234.A O no hydrogen 2.744 N/A ARG 245.A NH1 GLY 231.A O no hydrogen 2.909 N/A VAL 246.A N LEU 232.A O no hydrogen 2.864 N/A CYS 247.A N GLN 294.A O no hydrogen 2.812 N/A CYS 247.A SG GLN 294.A O no hydrogen 3.346 N/A CYS 247.A SG GLY 296.A O no hydrogen 3.533 N/A ASN 248.A N GLN 294.A O no hydrogen 3.246 N/A VAL 249.A N ASN 248.A OD1 no hydrogen 2.908 N/A THR 250.A N CYS 292.A O no hydrogen 2.883 N/A THR 250.A OG1 ARG 252.A O no hydrogen 2.683 N/A THR 250.A OG1 CYS 292.A O no hydrogen 3.428 N/A ALA 254.A N LEU 290.A O no hydrogen 2.868 N/A SER 255.A N PRO 288.A O no hydrogen 3.011 N/A SER 255.A OG HIS 256.A ND1 no hydrogen 2.669 N/A SER 255.A OG PRO 288.A O no hydrogen 3.472 N/A HIS 256.A N PRO 253.A O no hydrogen 2.848 N/A HIS 256.A ND1 SER 255.A OG no hydrogen 2.669 N/A GLN 257.A N PRO 253.A O no hydrogen 2.848 N/A GLN 257.A NE2 THR 258.A O no hydrogen 3.225 N/A THR 258.A OG1 GLU 270.A OE1 no hydrogen 3.087 N/A PHE 259.A N CYS 271.A O no hydrogen 2.901 N/A LEU 261.A N VAL 269.A O no hydrogen 2.782 N/A GLN 262.A NE2 GLY 266.A O no hydrogen 3.158 N/A LEU 263.A N GLN 267.A O no hydrogen 2.787 N/A GLY 266.A N LEU 263.A O no hydrogen 3.037 N/A GLN 267.A N SER 265.A OG no hydrogen 3.090 N/A VAL 269.A N LEU 261.A O no hydrogen 2.819 N/A CYS 271.A N PHE 259.A O no hydrogen 2.973 N/A CYS 271.A SG THR 272.A O no hydrogen 3.417 N/A CYS 271.A SG GLN 275.A OE1 no hydrogen 4.012 N/A THR 272.A N GLN 275.A OE1 no hydrogen 3.104 N/A VAL 273.A N GLN 257.A O no hydrogen 2.936 N/A ALA 274.A N ALA 254.A O no hydrogen 3.157 N/A GLN 275.A N THR 272.A OG1 no hydrogen 3.007 N/A TYR 276.A N THR 272.A O no hydrogen 3.032 N/A PHE 277.A N VAL 273.A O no hydrogen 2.997 N/A LYS 278.A N ALA 274.A O no hydrogen 3.029 N/A LYS 278.A NZ ASN 282.A OD1 no hydrogen 3.356 N/A GLN 279.A N GLN 275.A O no hydrogen 3.024 N/A LYS 280.A N TYR 276.A O no hydrogen 2.908 N/A TYR 281.A N PHE 277.A O no hydrogen 3.106 N/A LEU 283.A N PHE 277.A O no hydrogen 3.039 N/A LYS 286.A N GLU 303.A OE2 no hydrogen 2.696 N/A TYR 287.A N GLU 303.A OE1 no hydrogen 2.818 N/A LEU 290.A N TYR 287.A O no hydrogen 3.066 N/A CYS 292.A N THR 250.A OG1 no hydrogen 2.788 N/A LEU 293.A N LEU 300.A O no hydrogen 2.751 N/A GLN 294.A N ASN 248.A O no hydrogen 2.855 N/A VAL 295.A N THR 298.A O no hydrogen 3.013 N/A GLY 296.A N ARG 245.A O no hydrogen 3.421 N/A HIS 297.A ND1 HIS 297.A O no hydrogen 2.964 N/A LEU 300.A N LEU 293.A O no hydrogen 2.758 N/A VAL 304.A N PRO 301.A O no hydrogen 3.170 N/A CYS 305.A N LEU 302.A O no hydrogen 3.091 N/A CYS 305.A SG PRO 301.A O no hydrogen 3.584 N/A ASN 306.A N GLU 235.A O no hydrogen 2.864 N/A ASN 306.A ND2 GLU 235.A OE2 no hydrogen 3.411 N/A ILE 307.A N GLN 199.A O no hydrogen 2.780 N/A VAL 308.A N LYS 233.A O no hydrogen 3.160 N/A GLN 311.A NE2 LYS 233.A O no hydrogen 2.960 N/A GLN 311.A NE2 VAL 308.A O no hydrogen 2.825 N/A CYS 313.A N ALA 194.A O no hydrogen 2.850 N/A CYS 313.A SG TYR 196.A OH no hydrogen 3.701 N/A CYS 313.A SG LYS 315.A O no hydrogen 3.506 N/A LYS 315.A NZ LYS 227.A O no hydrogen 2.834 N/A THR 318.A N GLN 321.A OE1 no hydrogen 2.952 N/A GLN 321.A N THR 318.A OG1 no hydrogen 3.226 N/A GLN 321.A NE2 GLY 164.A O no hydrogen 3.067 N/A THR 322.A N THR 318.A O no hydrogen 2.837 N/A THR 322.A OG1 THR 318.A O no hydrogen 3.173 N/A SER 323.A N ASP 319.A O no hydrogen 2.901 N/A THR 324.A N ASN 320.A O no hydrogen 2.768 N/A THR 324.A OG1 ASN 320.A O no hydrogen 2.829 N/A MET 325.A N GLN 321.A O no hydrogen 2.901 N/A ILE 326.A N THR 322.A O no hydrogen 3.008 N/A LYS 327.A N SER 323.A O no hydrogen 3.122 N/A ALA 328.A N THR 324.A O no hydrogen 3.010 N/A THR 329.A N MET 325.A O no hydrogen 3.059 N/A THR 329.A N ILE 326.A O no hydrogen 3.305 N/A THR 329.A OG1 MET 325.A O no hydrogen 2.727 N/A THR 329.A OG1 ILE 326.A O no hydrogen 3.329 N/A ALA 330.A N ILE 326.A O no hydrogen 2.881 N/A ARG 331.A NE GLU 339.A OE1 no hydrogen 2.704 N/A ARG 331.A NH1 ALA 328.A O no hydrogen 3.230 N/A ARG 331.A NH1 ALA 330.A O no hydrogen 3.027 N/A ALA 333.A N SER 684.A O no hydrogen 2.926 N/A ASP 335.A N SER 332.A OG no hydrogen 3.140 N/A ARG 336.A N SER 332.A O no hydrogen 2.902 N/A ARG 336.A NE THR 716.A OG1 no hydrogen 3.096 N/A ARG 336.A NH1 ASP 189.A OD1 no hydrogen 2.856 N/A ARG 336.A NH1 VAL 190.A O no hydrogen 3.380 N/A GLN 337.A N ALA 333.A O no hydrogen 2.823 N/A GLU 338.A N PRO 334.A O no hydrogen 3.049 N/A GLU 339.A N ASP 335.A O no hydrogen 2.917 N/A ILE 340.A N ARG 336.A O no hydrogen 2.897 N/A SER 341.A N GLN 337.A O no hydrogen 2.964 N/A SER 341.A OG GLN 337.A O no hydrogen 3.066 N/A ARG 342.A N GLU 338.A O no hydrogen 2.831 N/A LEU 343.A N GLU 339.A O no hydrogen 2.903 N/A MET 344.A N ILE 340.A O no hydrogen 2.997 N/A LYS 345.A N SER 341.A O no hydrogen 3.210 N/A ASN 346.A N ARG 342.A O no hydrogen 3.044 N/A ALA 347.A N LEU 343.A O no hydrogen 2.896 N/A ALA 347.A N MET 344.A O no hydrogen 3.286 N/A SER 348.A N LYS 345.A O no hydrogen 3.312 N/A SER 348.A OG LYS 345.A O no hydrogen 3.366 N/A TYR 349.A OH GLN 175.A OE1 no hydrogen 2.680 N/A ASN 350.A ND2 VAL 362.A O no hydrogen 2.867 N/A LEU 351.A N SER 348.A O no hydrogen 2.858 N/A ASP 352.A N TYR 349.A O no hydrogen 3.181 N/A TYR 354.A N ASP 352.A OD1 no hydrogen 2.755 N/A ILE 355.A N ASP 352.A OD1 no hydrogen 3.108 N/A GLN 356.A N ASP 352.A O no hydrogen 2.864 N/A GLN 356.A NE2 ASN 350.A O no hydrogen 2.848 N/A GLU 357.A N PRO 353.A O no hydrogen 2.860 N/A PHE 358.A N TYR 354.A O no hydrogen 3.084 N/A GLY 359.A N GLN 356.A O no hydrogen 3.057 N/A ILE 360.A N ILE 355.A O no hydrogen 3.048 N/A LYS 361.A N ASP 29.A O no hydrogen 3.132 N/A VAL 362.A N ASN 350.A OD1 no hydrogen 2.880 N/A LYS 363.A N GLU 27.A O no hydrogen 2.948 N/A THR 367.A N TYR 25.A O no hydrogen 3.029 N/A THR 367.A OG1 TYR 25.A O no hydrogen 2.724 N/A VAL 369.A N LEU 21.A O no hydrogen 2.980 N/A GLY 371.A N ILE 19.A O no hydrogen 2.858 N/A ARG 372.A N THR 692.A O no hydrogen 2.954 N/A ARG 372.A NH1 VAL 15.A O no hydrogen 2.797 N/A ARG 372.A NH1 GLN 737.A OE1 no hydrogen 3.479 N/A ARG 372.A NH2 ASP 694.A OD1 no hydrogen 3.554 N/A ARG 372.A NH2 GLN 737.A OE1 no hydrogen 2.796 N/A VAL 373.A N LYS 17.A O no hydrogen 2.723 N/A LEU 374.A N GLY 690.A O no hydrogen 2.968 N/A ILE 378.A N GLN 543.A OE1 no hydrogen 2.962 N/A LEU 379.A N ALA 389.A O no hydrogen 2.954 N/A GLN 380.A N ILE 538.A O no hydrogen 2.751 N/A GLN 380.A NE2 TYR 381.A O no hydrogen 2.872 N/A GLN 380.A NE2 ARG 386.A O no hydrogen 3.011 N/A TYR 381.A N ALA 387.A O no hydrogen 2.825 N/A GLY 382.A N GLN 402.A O no hydrogen 2.823 N/A ARG 386.A N GLY 382.A O no hydrogen 3.022 N/A ALA 389.A N LEU 379.A O no hydrogen 2.838 N/A ASN 392.A N VAL 395.A O no hydrogen 2.933 N/A VAL 395.A N ASN 392.A O no hydrogen 3.143 N/A TRP 396.A N THR 751.A O no hydrogen 2.939 N/A TRP 396.A NE1 TYR 381.A OH no hydrogen 2.910 N/A ARG 399.A N ASP 397.A OD1 no hydrogen 3.065 N/A LYS 401.A N MET 398.A O no hydrogen 3.012 N/A LYS 401.A NZ ASP 397.A O no hydrogen 2.996 N/A LYS 401.A NZ ASP 397.A OD1 no hydrogen 3.384 N/A LYS 401.A NZ ARG 399.A O no hydrogen 2.968 N/A GLN 402.A NE2 LYS 440.A O no hydrogen 3.366 N/A GLN 402.A NE2 ASP 441.A O no hydrogen 3.315 N/A PHE 403.A N ALA 442.A O no hydrogen 2.766 N/A TYR 404.A N ASN 536.A O no hydrogen 2.938 N/A ASN 405.A N ILE 535.A O no hydrogen 2.825 N/A ILE 407.A N ASN 529.A OD1 no hydrogen 2.959 N/A ILE 409.A N PRO 445.A O no hydrogen 2.723 N/A LYS 410.A N GLN 477.A OE1 no hydrogen 2.659 N/A VAL 411.A N GLN 477.A OE1 no hydrogen 3.019 N/A TRP 412.A NE1 GLY 448.A O no hydrogen 3.157 N/A ALA 413.A N LEU 478.A O no hydrogen 2.880 N/A ILE 414.A N PHE 452.A O no hydrogen 2.862 N/A ALA 415.A N ILE 480.A O no hydrogen 2.856 N/A CYS 416.A N LYS 454.A O no hydrogen 2.890 N/A CYS 416.A SG ALA 418.A O no hydrogen 3.522 N/A PHE 417.A N ILE 482.A O no hydrogen 2.795 N/A LYS 421.A NZ GLN 420.A OE1 no hydrogen 2.954 N/A GLN 422.A N PRO 419.A O no hydrogen 3.018 N/A CYS 423.A N GLN 420.A O no hydrogen 3.194 N/A GLU 426.A N GLU 426.A OE1 no hydrogen 2.999 N/A LEU 428.A N ARG 424.A O no hydrogen 2.949 N/A LYS 429.A N GLU 425.A O no hydrogen 2.991 N/A LYS 429.A NZ ASP 433.A OD1 no hydrogen 2.989 N/A LYS 429.A NZ ASP 433.A OD2 no hydrogen 3.138 N/A ASN 430.A N GLU 426.A O no hydrogen 3.036 N/A PHE 431.A N VAL 427.A O no hydrogen 3.059 N/A THR 432.A N LEU 428.A O no hydrogen 2.964 N/A THR 432.A OG1 LEU 428.A O no hydrogen 3.325 N/A THR 432.A OG1 LYS 429.A O no hydrogen 3.059 N/A ASP 433.A N LYS 429.A O no hydrogen 2.847 N/A GLN 434.A N ASN 430.A O no hydrogen 3.043 N/A LEU 435.A N PHE 431.A O no hydrogen 2.989 N/A ARG 436.A N THR 432.A O no hydrogen 2.912 N/A ARG 436.A NE ILE 446.A O no hydrogen 2.989 N/A ARG 436.A NH2 ILE 446.A O no hydrogen 3.329 N/A LYS 437.A N ASP 433.A O no hydrogen 3.155 N/A ILE 438.A N GLN 434.A O no hydrogen 2.992 N/A SER 439.A N LEU 435.A O no hydrogen 2.789 N/A SER 439.A OG LEU 435.A O no hydrogen 3.293 N/A SER 439.A OG ARG 436.A O no hydrogen 2.991 N/A SER 439.A OG MET 444.A O no hydrogen 3.128 N/A LYS 440.A N ARG 436.A O no hydrogen 3.042 N/A ASP 441.A N LYS 437.A O no hydrogen 3.190 N/A ALA 442.A N ILE 438.A O no hydrogen 3.095 N/A ALA 442.A N SER 439.A O no hydrogen 3.124 N/A GLY 443.A N LYS 440.A O no hydrogen 3.038 N/A MET 444.A N SER 439.A O no hydrogen 2.777 N/A GLN 447.A N ILE 409.A O no hydrogen 2.916 N/A CYS 451.A N TRP 412.A O no hydrogen 2.811 N/A CYS 451.A SG TRP 412.A O no hydrogen 3.301 N/A LYS 454.A N ILE 414.A O no hydrogen 3.202 N/A TYR 455.A OH CYS 423.A O no hydrogen 2.735 N/A ALA 456.A N CYS 416.A O no hydrogen 2.964 N/A SER 461.A N GLY 458.A O no hydrogen 3.078 N/A SER 461.A OG GLN 457.A O no hydrogen 2.871 N/A VAL 462.A N ALA 459.A O no hydrogen 3.150 N/A MET 465.A N SER 461.A O no hydrogen 3.240 N/A PHE 466.A N VAL 462.A O no hydrogen 2.790 N/A ARG 467.A N GLU 463.A O no hydrogen 2.914 N/A ARG 467.A NE GLU 463.A OE2 no hydrogen 2.882 N/A ARG 467.A NH1 GLU 463.A OE2 no hydrogen 3.263 N/A HIS 468.A N PRO 464.A O no hydrogen 3.124 N/A LEU 469.A N MET 465.A O no hydrogen 2.903 N/A LYS 470.A N PHE 466.A O no hydrogen 2.943 N/A LYS 470.A NZ LEU 501.A O no hydrogen 2.990 N/A ASN 471.A N ARG 467.A O no hydrogen 3.046 N/A THR 472.A N HIS 468.A O no hydrogen 2.816 N/A THR 472.A N LEU 469.A O no hydrogen 3.319 N/A THR 472.A OG1 HIS 468.A O no hydrogen 2.848 N/A TYR 473.A N LEU 469.A O no hydrogen 3.092 N/A LEU 476.A N TYR 473.A O no hydrogen 3.167 N/A GLN 477.A N VAL 411.A O no hydrogen 2.926 N/A GLN 477.A NE2 GLU 408.A O no hydrogen 3.006 N/A ILE 479.A N ALA 504.A O no hydrogen 3.131 N/A ILE 480.A N ALA 413.A O no hydrogen 2.891 N/A VAL 481.A N GLN 506.A O no hydrogen 2.857 N/A ILE 482.A N ALA 415.A O no hydrogen 2.952 N/A LEU 483.A N VAL 508.A O no hydrogen 2.904 N/A LYS 486.A NZ ASP 319.A OD2 no hydrogen 2.757 N/A VAL 489.A N THR 487.A OG1 no hydrogen 2.937 N/A TYR 490.A N THR 487.A O no hydrogen 3.247 N/A GLU 492.A N PRO 488.A O no hydrogen 3.377 N/A VAL 493.A N VAL 489.A O no hydrogen 2.808 N/A LYS 494.A N TYR 490.A O no hydrogen 3.019 N/A LYS 494.A NZ THR 505.A OG1 no hydrogen 2.930 N/A ARG 495.A N ALA 491.A O no hydrogen 2.783 N/A ARG 495.A NE GLU 492.A OE2 no hydrogen 2.872 N/A ARG 495.A NH2 GLU 463.A OE1 no hydrogen 3.240 N/A ARG 495.A NH2 GLU 492.A OE1 no hydrogen 2.781 N/A VAL 496.A N GLU 492.A O no hydrogen 2.889 N/A GLY 497.A N VAL 493.A O no hydrogen 2.827 N/A ASP 498.A N LYS 494.A O no hydrogen 2.827 N/A THR 499.A N ARG 495.A O no hydrogen 3.072 N/A THR 499.A OG1 ARG 495.A O no hydrogen 2.646 N/A LEU 500.A N ARG 495.A O no hydrogen 3.120 N/A LEU 501.A N VAL 496.A O no hydrogen 2.828 N/A MET 503.A N GLY 497.A O no hydrogen 2.826 N/A GLN 506.A N ILE 479.A O no hydrogen 2.954 N/A GLN 506.A NE2 CYS 507.A O no hydrogen 2.932 N/A VAL 508.A N VAL 481.A O no hydrogen 2.841 N/A VAL 510.A N LEU 483.A O no hydrogen 2.786 N/A ASN 512.A N GLN 509.A O no hydrogen 2.995 N/A VAL 513.A N VAL 510.A O no hydrogen 2.851 N/A VAL 514.A N VAL 510.A O no hydrogen 2.875 N/A LYS 515.A N LYS 511.A O no hydrogen 3.280 N/A GLN 519.A N SER 517.A OG no hydrogen 3.284 N/A GLN 519.A NE2 GLN 519.A O no hydrogen 3.310 N/A GLN 519.A NE2 ASN 523.A OD1 no hydrogen 3.383 N/A LEU 521.A N SER 517.A O no hydrogen 2.881 N/A SER 522.A N PRO 518.A O no hydrogen 2.852 N/A ASN 523.A N GLN 519.A O no hydrogen 2.909 N/A LEU 524.A N THR 520.A O no hydrogen 2.964 N/A CYS 525.A N LEU 521.A O no hydrogen 3.058 N/A CYS 525.A SG LEU 521.A O no hydrogen 3.504 N/A LEU 526.A N SER 522.A O no hydrogen 3.151 N/A LYS 527.A N ASN 523.A O no hydrogen 3.386 N/A LYS 527.A NZ ALA 799.A O no hydrogen 3.407 N/A LYS 527.A NZ ALA 799.A OXT no hydrogen 2.872 N/A ILE 528.A N LEU 524.A O no hydrogen 2.985 N/A ASN 529.A N CYS 525.A O no hydrogen 2.958 N/A ASN 529.A ND2 ASN 405.A O no hydrogen 3.116 N/A ASN 529.A ND2 ASN 536.A OD1 no hydrogen 2.955 N/A LYS 531.A N LYS 527.A O no hydrogen 2.930 N/A LYS 531.A NZ THR 505.A O no hydrogen 2.915 N/A LYS 531.A NZ GLN 506.A OE1 no hydrogen 2.698 N/A LEU 532.A N ILE 528.A O no hydrogen 3.043 N/A LEU 532.A N ASN 529.A O no hydrogen 3.340 N/A GLY 533.A N VAL 530.A O no hydrogen 3.159 N/A GLY 534.A N ASN 529.A O no hydrogen 2.831 N/A ILE 535.A N ASN 405.A O no hydrogen 2.978 N/A ASN 536.A ND2 LEU 526.A O no hydrogen 3.082 N/A ASN 536.A ND2 VAL 748.A O no hydrogen 3.463 N/A ASN 537.A ND2 TYR 381.A OH no hydrogen 3.013 N/A ILE 538.A N GLN 380.A O no hydrogen 3.051 N/A VAL 540.A N ILE 378.A O no hydrogen 3.027 N/A GLN 543.A N VAL 540.A O no hydrogen 3.430 N/A ARG 544.A NE PRO 541.A O no hydrogen 2.807 N/A ARG 544.A NH1 ALA 577.A O no hydrogen 2.766 N/A ARG 544.A NH1 HIS 578.A O no hydrogen 2.998 N/A SER 545.A OG GLU 735.A OE2 no hydrogen 2.877 N/A VAL 547.A N SER 545.A OG no hydrogen 3.018 N/A PHE 548.A N SER 545.A O no hydrogen 3.215 N/A GLN 549.A N ALA 546.A O no hydrogen 3.002 N/A GLN 550.A N VAL 547.A O no hydrogen 3.422 N/A ILE 553.A N ARG 620.A O no hydrogen 3.075 N/A PHE 554.A N SER 574.A OG no hydrogen 2.872 N/A LEU 555.A N ILE 622.A O no hydrogen 2.738 N/A GLY 556.A N VAL 572.A O no hydrogen 2.984 N/A ALA 557.A N TYR 624.A O no hydrogen 2.918 N/A ASP 558.A N ALA 570.A O no hydrogen 2.981 N/A THR 560.A N ILE 568.A O no hydrogen 2.800 N/A HIS 561.A ND1 SER 567.A OG no hydrogen 2.646 N/A HIS 561.A NE2 GLU 594.A OE1 no hydrogen 2.880 N/A SER 567.A N GLN 589.A O no hydrogen 3.033 N/A SER 567.A OG HIS 561.A ND1 no hydrogen 2.646 N/A ILE 568.A N THR 560.A O no hydrogen 2.811 N/A THR 569.A N ARG 587.A O no hydrogen 2.915 N/A ALA 570.A N ASP 558.A O no hydrogen 2.993 N/A VAL 571.A N THR 585.A O no hydrogen 3.029 N/A VAL 572.A N GLY 556.A O no hydrogen 2.795 N/A GLY 573.A N CYS 583.A O no hydrogen 2.905 N/A SER 574.A N PHE 554.A O no hydrogen 2.912 N/A MET 575.A N ARG 581.A O no hydrogen 2.824 N/A HIS 578.A N ASP 576.A OD1 no hydrogen 3.019 N/A SER 580.A N ASP 576.A OD1 no hydrogen 2.743 N/A SER 580.A OG.B ASN 537.A O no hydrogen 3.170 N/A ARG 581.A N ASP 576.A OD2 no hydrogen 2.861 N/A ARG 581.A NH1 VAL 530.A O no hydrogen 3.050 N/A ARG 581.A NH1 GLY 534.A O no hydrogen 2.937 N/A CYS 583.A N GLY 573.A O no hydrogen 2.920 N/A THR 585.A N VAL 571.A O no hydrogen 2.835 N/A THR 585.A OG1 VAL 571.A O no hydrogen 2.843 N/A ARG 587.A N THR 569.A O no hydrogen 2.895 N/A ARG 587.A NH1 VAL 586.A O no hydrogen 2.924 N/A ARG 587.A NH2 GLU 605.A OE1 no hydrogen 2.738 N/A GLN 589.A N SER 567.A O no hydrogen 2.840 N/A GLN 589.A NE2 GLN 593.A O no hydrogen 2.934 N/A GLN 589.A NE2 ILE 595.A O no hydrogen 2.848 N/A ARG 590.A NH2 GLN 593.A OE1 no hydrogen 2.635 N/A ARG 592.A N SER 567.A OG no hydrogen 2.726 N/A GLN 593.A N ARG 590.A O no hydrogen 3.278 N/A ILE 596.A N GLU 640.A OE2 no hydrogen 2.868 N/A GLU 597.A N GLN 589.A OE1 no hydrogen 2.948 N/A LEU 599.A N ILE 596.A O no hydrogen 3.230 N/A SER 600.A OG ALA 643.A O no hydrogen 3.481 N/A SER 600.A OG ASP 646.A OD2 no hydrogen 2.715 N/A MET 602.A N ASP 598.A O no hydrogen 3.101 N/A VAL 603.A N LEU 599.A O no hydrogen 2.862 N/A ARG 604.A N SER 600.A O no hydrogen 2.936 N/A ARG 604.A NH1 LYS 650.A O no hydrogen 3.494 N/A GLU 605.A N TYR 601.A O no hydrogen 2.944 N/A LEU 606.A N MET 602.A O no hydrogen 3.141 N/A LEU 607.A N VAL 603.A O no hydrogen 2.810 N/A ILE 608.A N ARG 604.A O no hydrogen 2.958 N/A GLN 609.A N GLU 605.A O no hydrogen 2.971 N/A GLN 609.A NE2 SER 613.A OG no hydrogen 3.134 N/A PHE 610.A N LEU 606.A O no hydrogen 2.889 N/A TYR 611.A N LEU 607.A O no hydrogen 3.015 N/A LYS 612.A N ILE 608.A O no hydrogen 3.020 N/A SER 613.A N GLN 609.A O no hydrogen 2.883 N/A SER 613.A OG GLN 609.A O no hydrogen 3.040 N/A THR 614.A N PHE 610.A O no hydrogen 2.872 N/A THR 614.A OG1 PHE 610.A O no hydrogen 2.831 N/A ARG 615.A N TYR 611.A O no hydrogen 2.676 N/A PHE 616.A N THR 614.A OG1 no hydrogen 3.048 N/A THR 619.A N PRO 551.A O no hydrogen 2.919 N/A THR 619.A OG1 GLN 550.A OE1 no hydrogen 2.810 N/A THR 619.A OG1 PRO 551.A O no hydrogen 3.336 N/A ARG 620.A NE ASN 729.A OD1 no hydrogen 3.278 N/A ILE 621.A N GLY 658.A O no hydrogen 2.910 N/A ILE 622.A N ILE 553.A O no hydrogen 2.949 N/A PHE 623.A N THR 660.A O no hydrogen 2.876 N/A TYR 624.A N LEU 555.A O no hydrogen 2.851 N/A TYR 624.A OH THR 740.A OG1 no hydrogen 2.802 N/A ARG 625.A N ILE 662.A O no hydrogen 2.791 N/A ARG 625.A NE GLU 640.A OE1 no hydrogen 2.763 N/A ARG 625.A NE GLU 640.A OE2 no hydrogen 3.318 N/A ARG 625.A NH1 ASP 626.A O no hydrogen 2.800 N/A ARG 625.A NH2 GLU 594.A O no hydrogen 2.857 N/A ARG 625.A NH2 GLU 640.A OE2 no hydrogen 2.758 N/A ASP 626.A N ALA 557.A O no hydrogen 2.848 N/A GLY 627.A N ASP 626.A OD1 no hydrogen 2.680 N/A GLN 632.A N PRO 629.A O no hydrogen 3.162 N/A GLN 635.A N GLN 635.A OE1 no hydrogen 2.761 N/A ILE 636.A N GLN 632.A O no hydrogen 3.152 N/A LEU 637.A N LEU 633.A O no hydrogen 2.968 N/A HIS 638.A N PRO 634.A O no hydrogen 2.984 N/A TYR 639.A N GLN 635.A O no hydrogen 3.251 N/A TYR 639.A OH.B GLU 597.A O no hydrogen 2.955 N/A GLU 640.A N ILE 636.A O no hydrogen 2.922 N/A LEU 641.A N LEU 637.A O no hydrogen 2.827 N/A LEU 642.A N HIS 638.A O no hydrogen 3.301 N/A ALA 643.A N TYR 639.A O no hydrogen 2.948 N/A ILE 644.A N GLU 640.A O no hydrogen 2.931 N/A ARG 645.A N LEU 641.A O no hydrogen 2.929 N/A ASP 646.A N LEU 642.A O no hydrogen 2.761 N/A ALA 647.A N ALA 643.A O no hydrogen 3.001 N/A CYS 648.A N ILE 644.A O no hydrogen 3.207 N/A CYS 648.A SG ILE 644.A O no hydrogen 3.434 N/A ILE 649.A N ARG 645.A O no hydrogen 2.959 N/A LYS 650.A N ASP 646.A O no hydrogen 2.952 N/A LYS 650.A NZ ASP 646.A OD2 no hydrogen 3.137 N/A LEU 651.A N ALA 647.A O no hydrogen 3.250 N/A LEU 651.A N CYS 648.A O no hydrogen 3.114 N/A GLU 652.A N CYS 648.A O no hydrogen 3.163 N/A ASP 654.A N GLU 652.A OE1 no hydrogen 2.786 N/A TYR 655.A N GLU 652.A O no hydrogen 2.978 N/A TYR 655.A OH PRO 618.A O no hydrogen 2.689 N/A GLN 656.A NE2 ASP 654.A O no hydrogen 3.657 N/A GLY 658.A N THR 619.A O no hydrogen 2.938 N/A ILE 659.A N ASP 728.A OD2 no hydrogen 2.878 N/A THR 660.A N ILE 621.A O no hydrogen 2.948 N/A THR 660.A OG1 ASP 727.A OD1 no hydrogen 2.629 N/A TYR 661.A N TRP 726.A O no hydrogen 2.883 N/A TYR 661.A OH GLU 640.A OE1 no hydrogen 2.633 N/A ILE 662.A N PHE 623.A O no hydrogen 2.827 N/A VAL 663.A N TYR 723.A O no hydrogen 2.881 N/A VAL 664.A N ARG 625.A O no hydrogen 2.815 N/A GLN 665.A N HIS 721.A O no hydrogen 2.790 N/A GLN 665.A NE2 VAL 628.A O no hydrogen 2.746 N/A LYS 666.A NZ SER 755.A OG no hydrogen 2.967 N/A ARG 667.A N GLN 665.A OE1 no hydrogen 2.888 N/A HIS 668.A NE2 PRO 719.A O no hydrogen 2.597 N/A HIS 669.A ND1 ASP 189.A OD2 no hydrogen 3.190 N/A THR 670.A N HIS 668.A ND1 no hydrogen 2.987 N/A THR 670.A OG1 TYR 25.A OH no hydrogen 2.797 N/A THR 670.A OG1 TYR 706.A OH no hydrogen 2.862 N/A ARG 671.A N ASN 24.A OD1 no hydrogen 2.786 N/A ARG 671.A NE ASP 189.A OD2 no hydrogen 2.973 N/A ARG 671.A NH1 SER 717.A O no hydrogen 3.473 N/A PHE 673.A N LEU 22.A O no hydrogen 2.869 N/A ALA 675.A N LYS 20.A O no hydrogen 2.979 N/A ASN 678.A N ASP 676.A OD1 no hydrogen 3.042 N/A GLU 679.A N ASP 676.A O no hydrogen 2.816 N/A ARG 680.A N LYS 677.A O no hydrogen 3.251 N/A ILE 681.A N ASN 686.A O no hydrogen 2.900 N/A SER 684.A OG GLY 712.A O no hydrogen 3.215 N/A GLY 685.A N GLY 682.A O no hydrogen 3.000 N/A ASN 686.A N ILE 681.A O no hydrogen 3.221 N/A ASN 686.A ND2 SER 684.A OG no hydrogen 2.679 N/A ASN 686.A ND2 GLY 715.A O no hydrogen 2.937 N/A GLY 690.A N CYS 708.A O no hydrogen 2.769 N/A THR 691.A N PRO 688.A O no hydrogen 3.160 N/A THR 691.A OG1 PRO 688.A O no hydrogen 2.692 N/A THR 692.A N ARG 372.A O no hydrogen 2.825 N/A THR 692.A OG1 GLY 690.A O no hydrogen 2.999 N/A VAL 693.A N TYR 706.A O no hydrogen 2.870 N/A THR 695.A OG1 ASN 696.A OD1 no hydrogen 2.553 N/A ILE 697.A N THR 695.A O no hydrogen 2.767 N/A HIS 699.A N ASP 704.A OD1 no hydrogen 2.959 N/A PHE 701.A N HIS 699.A ND1 no hydrogen 3.043 N/A GLU 702.A N HIS 699.A ND1 no hydrogen 3.002 N/A PHE 705.A N TYR 722.A O no hydrogen 2.942 N/A TYR 706.A N VAL 693.A O no hydrogen 2.900 N/A TYR 706.A OH THR 670.A OG1 no hydrogen 2.862 N/A LEU 707.A N SER 720.A O no hydrogen 2.915 N/A CYS 708.A N THR 691.A O no hydrogen 2.820 N/A CYS 708.A SG HIS 710.A O no hydrogen 3.741 N/A SER 709.A OG VAL 754.A O no hydrogen 2.659 N/A THR 716.A OG1 ARG 331.A O no hydrogen 3.105 N/A SER 717.A N ASN 686.A OD1 no hydrogen 2.799 N/A SER 720.A OG SER 755.A O no hydrogen 2.738 N/A HIS 721.A N GLN 665.A O no hydrogen 2.865 N/A HIS 721.A NE2 ASP 704.A OD2 no hydrogen 2.771 N/A TYR 722.A N PHE 705.A O no hydrogen 2.805 N/A TYR 723.A N VAL 663.A O no hydrogen 2.864 N/A TYR 723.A OH GLU 702.A OE1 no hydrogen 2.576 N/A VAL 724.A N PHE 703.A O no hydrogen 2.864 N/A LEU 725.A N TYR 661.A O no hydrogen 2.869 N/A TRP 726.A N TYR 661.A O no hydrogen 3.382 N/A TRP 726.A NE1 ASP 728.A OD1 no hydrogen 3.049 N/A ASP 728.A N ILE 659.A O no hydrogen 2.912 N/A ASN 729.A N ASP 727.A OD1 no hydrogen 2.906 N/A ASN 729.A ND2 GLY 658.A O no hydrogen 3.066 N/A ASN 729.A ND2 THR 660.A OG1 no hydrogen 2.899 N/A PHE 731.A N ASP 727.A OD2 no hydrogen 2.914 N/A THR 732.A N GLU 735.A OE1 no hydrogen 3.336 N/A GLU 735.A N THR 732.A OG1 no hydrogen 3.066 N/A LEU 736.A N THR 732.A O no hydrogen 2.997 N/A GLN 737.A N ALA 733.A O no hydrogen 2.934 N/A GLN 737.A NE2 ASP 694.A OD2 no hydrogen 2.891 N/A ILE 738.A N ASP 734.A O no hydrogen 2.862 N/A LEU 739.A N GLU 735.A O no hydrogen 2.918 N/A THR 740.A N LEU 736.A O no hydrogen 2.976 N/A THR 740.A OG1 TYR 624.A OH no hydrogen 2.802 N/A THR 740.A OG1 LEU 736.A O no hydrogen 2.775 N/A TYR 741.A N GLN 737.A O no hydrogen 3.008 N/A GLN 742.A N ILE 738.A O no hydrogen 2.804 N/A GLN 742.A NE2 GLN 543.A O no hydrogen 2.852 N/A LEU 743.A N LEU 739.A O no hydrogen 2.967 N/A CYS 744.A N THR 740.A O no hydrogen 3.290 N/A CYS 744.A N TYR 741.A O no hydrogen 3.045 N/A CYS 744.A SG SER 709.A OG no hydrogen 3.426 N/A CYS 744.A SG THR 740.A O no hydrogen 3.403 N/A HIS 745.A N GLN 742.A O no hydrogen 2.855 N/A HIS 745.A ND1 TYR 741.A O no hydrogen 2.888 N/A THR 746.A N LEU 743.A O no hydrogen 3.291 N/A THR 746.A OG1 LEU 743.A O no hydrogen 2.834 N/A VAL 748.A N TYR 762.A OH no hydrogen 2.974 N/A ARG 749.A NH1 ALA 799.A OXT no hydrogen 2.836 N/A THR 751.A OG1 TRP 396.A O no hydrogen 2.781 N/A SER 753.A N GLY 394.A O no hydrogen 2.883 N/A SER 753.A OG.A SER 709.A O no hydrogen 2.732 N/A SER 753.A OG.B GLY 394.A O no hydrogen 3.224 N/A SER 753.A OG.B SER 709.A O no hydrogen 2.798 N/A VAL 754.A N CYS 744.A O no hydrogen 2.943 N/A ALA 758.A N LEU 743.A O no hydrogen 3.092 N/A TYR 761.A N PRO 757.A O no hydrogen 3.063 N/A TYR 762.A N ALA 758.A O no hydrogen 2.741 N/A TYR 762.A OH THR 746.A O no hydrogen 3.265 N/A ALA 763.A N PRO 759.A O no hydrogen 3.079 N/A ARG 764.A N ALA 760.A O no hydrogen 3.095 N/A LEU 765.A N TYR 761.A O no hydrogen 3.000 N/A VAL 766.A N TYR 762.A O no hydrogen 2.850 N/A ALA 767.A N ALA 763.A O no hydrogen 3.013 N/A PHE 768.A N ARG 764.A O no hydrogen 2.959 N/A ARG 769.A N LEU 765.A O no hydrogen 2.920 N/A ARG 769.A NH1 ASP 498.A OD2 no hydrogen 2.867 N/A ARG 769.A NH1 TYR 797.A O no hydrogen 2.993 N/A ALA 770.A N VAL 766.A O no hydrogen 3.083 N/A ARG 771.A N ALA 767.A O no hydrogen 3.282 N/A ARG 771.A NH1 PRO 566.A O no hydrogen 3.078 N/A ARG 771.A NH2 PRO 566.A O no hydrogen 3.156 N/A HIS 773.A N ARG 769.A O no hydrogen 3.003 N/A HIS 773.A NE2 ASP 498.A OD2 no hydrogen 2.820 N/A LEU 774.A N ALA 770.A O no hydrogen 2.936 N/A LEU 774.A N ARG 771.A O no hydrogen 3.295 N/A VAL 775.A N TYR 772.A O no hydrogen 3.096 N/A ALA 781.A N ASP 778.A OD2 no hydrogen 3.028 N/A LEU 782.A N ASP 778.A O no hydrogen 3.179 N/A ALA 783.A N PRO 779.A O no hydrogen 3.075 N/A LYS 784.A N GLN 780.A O no hydrogen 3.114 N/A ALA 785.A N ALA 781.A O no hydrogen 3.068 N/A GLN 787.A N LYS 784.A O no hydrogen 3.172 N/A HIS 789.A N ASP 498.A O no hydrogen 2.855 N/A ASP 791.A N HIS 789.A ND1 no hydrogen 2.859 N/A THR 792.A N HIS 789.A O no hydrogen 2.845 N/A THR 792.A OG1 ASP 498.A O no hydrogen 3.087 N/A LEU 793.A N HIS 789.A O no hydrogen 2.916 N/A THR 795.A N THR 792.A O no hydrogen 2.976 N/A THR 795.A OG1 THR 792.A O no hydrogen 2.709 N/A ALA 799.A N MET 796.A O no hydrogen 3.158 N/A