Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pzw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N PHE 70.A O no hydrogen 2.867 N/A LYS 4.A NZ GLU 100.A OE1 no hydrogen 2.825 N/A GLY 5.A N ILE 68.A O no hydrogen 2.768 N/A THR 6.A N THR 98.A O no hydrogen 2.942 N/A VAL 7.A N PHE 66.A O no hydrogen 2.872 N/A VAL 8.A N SER 96.A O no hydrogen 2.982 N/A LEU 9.A N SER 64.A O no hydrogen 3.041 N/A MET 10.A N PHE 93.A O no hydrogen 2.893 N/A LYS 12.A NZ GLU 91.A OE2 no hydrogen 3.044 N/A GLU 14.A N PRO 11.A O no hydrogen 3.299 N/A LEU 15.A N LYS 12.A O no hydrogen 3.411 N/A ALA 19.A N ASN 16.A O no hydrogen 3.419 N/A PHE 20.A N LEU 17.A O no hydrogen 3.132 N/A LEU 21.A N ASN 18.A O no hydrogen 3.094 N/A SER 24.A N LEU 21.A O no hydrogen 3.158 N/A SER 24.A OG ALA 19.A O no hydrogen 2.618 N/A SER 24.A OG LEU 21.A O no hydrogen 3.234 N/A SER 26.A N LYS 85.A O no hydrogen 3.022 N/A SER 26.A OG ASP 46.A OD1 no hydrogen 3.438 N/A LEU 27.A N THR 47.A O no hydrogen 2.818 N/A GLN 28.A N TYR 83.A O no hydrogen 2.945 N/A GLN 28.A NE2 GLY 44.A O no hydrogen 3.149 N/A ILE 30.A N ALA 81.A O no hydrogen 2.875 N/A SER 31.A N LYS 42.A O no hydrogen 2.840 N/A SER 31.A OG LYS 34.A O no hydrogen 3.566 N/A SER 31.A OG MET 76.A O no hydrogen 2.612 N/A ALA 32.A N ILE 78.A O no hydrogen 2.932 N/A THR 33.A N SER 31.A OG no hydrogen 3.226 N/A LYS 34.A N SER 31.A OG no hydrogen 3.043 N/A ASP 36.A N LYS 40.A O no hydrogen 2.829 N/A HIS 38.A N ASP 36.A OD1 no hydrogen 2.813 N/A GLY 39.A N ASP 36.A O no hydrogen 3.088 N/A LYS 40.A N ASP 36.A OD1 no hydrogen 2.992 N/A GLY 41.A N PRO 138.A O no hydrogen 2.816 N/A LYS 42.A N LYS 34.A O no hydrogen 3.009 N/A GLY 44.A N LEU 29.A O no hydrogen 2.884 N/A THR 47.A N LEU 27.A O no hydrogen 2.974 N/A THR 47.A OG1 LYS 45.A O no hydrogen 2.896 N/A GLU 50.A N ASN 67.A O no hydrogen 2.895 N/A ASN 53.A N ALA 65.A O no hydrogen 2.859 N/A ASN 53.A ND2 ASN 67.A OD1 no hydrogen 2.771 N/A SER 55.A N ASN 53.A OD1 no hydrogen 2.972 N/A SER 55.A OG ASN 53.A OD1 no hydrogen 2.592 N/A GLU 63.A N GLY 60.A O no hydrogen 3.198 N/A SER 64.A N LEU 9.A O no hydrogen 2.894 N/A PHE 66.A N VAL 7.A O no hydrogen 2.741 N/A ASN 67.A N GLY 51.A O no hydrogen 2.816 N/A ILE 68.A N GLY 5.A O no hydrogen 3.167 N/A HIS 69.A N GLU 50.A OE2 no hydrogen 2.915 N/A HIS 69.A ND1 GLU 50.A OE1 no hydrogen 2.860 N/A PHE 70.A N ILE 3.A O no hydrogen 2.976 N/A TRP 72.A N HIS 1.A O no hydrogen 3.199 N/A TRP 72.A NE1 GLY 77.A O no hydrogen 2.861 N/A SER 75.A N ASP 73.A OD2 no hydrogen 2.820 N/A SER 75.A OG ASP 73.A OD2 no hydrogen 2.700 N/A MET 76.A N ASP 73.A O no hydrogen 2.942 N/A GLY 77.A N GLY 74.A O no hydrogen 3.100 N/A ILE 78.A N THR 33.A OG1 no hydrogen 3.113 N/A GLY 80.A N ILE 30.A O no hydrogen 2.888 N/A ALA 81.A N ILE 30.A O no hydrogen 3.324 N/A PHE 82.A N PHE 124.A O no hydrogen 2.887 N/A TYR 83.A N GLN 28.A O no hydrogen 2.861 N/A ILE 84.A N ARG 122.A O no hydrogen 3.110 N/A LYS 85.A N SER 26.A O no hydrogen 2.911 N/A LYS 85.A NZ ASP 46.A OD1 no hydrogen 3.065 N/A LYS 85.A NZ ASP 46.A OD2 no hydrogen 3.466 N/A LYS 85.A NZ TYR 87.A OH no hydrogen 3.398 N/A ASN 86.A ND2 VAL 90.A O no hydrogen 3.124 N/A ASN 86.A ND2 VAL 112.A O no hydrogen 3.097 N/A TYR 87.A N SER 24.A O no hydrogen 2.822 N/A MET 88.A N ASN 86.A OD1 no hydrogen 2.940 N/A GLU 91.A N GLU 91.A OE1 no hydrogen 2.750 N/A PHE 92.A N VAL 112.A O no hydrogen 3.340 N/A PHE 93.A N MET 10.A O no hydrogen 2.923 N/A LEU 94.A N SER 110.A O no hydrogen 2.809 N/A LYS 95.A N VAL 8.A O no hydrogen 2.841 N/A LYS 95.A NZ ASN 109.A OD1 no hydrogen 2.824 N/A SER 96.A N VAL 8.A O no hydrogen 3.201 N/A LEU 97.A N PHE 106.A O no hydrogen 3.140 N/A THR 98.A N THR 6.A O no hydrogen 2.977 N/A LEU 99.A N ILE 104.A O no hydrogen 2.905 N/A GLU 100.A N LYS 4.A O no hydrogen 2.994 N/A ILE 104.A N LEU 99.A O no hydrogen 2.972 N/A PHE 106.A N LEU 97.A O no hydrogen 2.907 N/A CYS 108.A N LYS 95.A O no hydrogen 2.871 N/A CYS 108.A SG PHE 106.A O no hydrogen 3.993 N/A ASN 109.A N LYS 95.A O no hydrogen 3.223 N/A SER 110.A N LEU 94.A O no hydrogen 2.994 N/A SER 110.A OG TRP 111.A O no hydrogen 3.527 N/A SER 110.A OG ASP 224.A OD1 no hydrogen 3.558 N/A SER 110.A OG ASP 224.A OD2 no hydrogen 2.622 N/A TRP 111.A N ASP 224.A OD1 no hydrogen 2.979 N/A VAL 112.A N PHE 92.A O no hydrogen 2.899 N/A TYR 113.A N TYR 118.A OH no hydrogen 3.027 N/A TYR 113.A OH GLU 160.A OE2 no hydrogen 2.676 N/A ASN 114.A ND2 MET 88.A O no hydrogen 2.956 N/A THR 115.A N ASN 86.A O no hydrogen 2.870 N/A LYS 116.A N ASN 114.A OD1 no hydrogen 3.004 N/A LEU 117.A N ASN 114.A O no hydrogen 3.031 N/A TYR 118.A N THR 115.A O no hydrogen 3.272 N/A ARG 122.A NH1 SER 110.A OG no hydrogen 3.200 N/A ARG 122.A NH1 TRP 111.A O no hydrogen 2.882 N/A ARG 122.A NH2 SER 110.A OG no hydrogen 2.987 N/A PHE 124.A N PHE 82.A O no hydrogen 2.941 N/A ALA 126.A N GLY 80.A O no hydrogen 2.957 N/A ASN 127.A N ARG 105.A O no hydrogen 2.945 N/A ASN 127.A ND2 HIS 752.A O no hydrogen 2.759 N/A HIS 128.A ND1 SER 755.A OG no hydrogen 2.813 N/A THR 129.A OG1 THR 754.A OG1 no hydrogen 2.840 N/A TYR 130.A N LEU 502.A O no hydrogen 2.919 N/A GLU 134.A N VAL 131.A O no hydrogen 2.895 N/A THR 135.A N PRO 132.A O no hydrogen 3.300 N/A THR 135.A OG1 PRO 132.A O no hydrogen 3.109 N/A LEU 139.A N PRO 136.A O no hydrogen 2.922 N/A VAL 140.A N ALA 137.A O no hydrogen 3.239 N/A TYR 142.A OH GLY 41.A O no hydrogen 2.657 N/A ARG 143.A N LEU 139.A O no hydrogen 2.944 N/A ARG 143.A NE GLU 625.A OE2 no hydrogen 2.818 N/A ARG 143.A NH1 TYR 130.A O no hydrogen 2.898 N/A ARG 143.A NH2 TYR 130.A O no hydrogen 3.141 N/A ARG 143.A NH2 GLU 625.A OE1 no hydrogen 2.858 N/A ARG 143.A NH2 GLU 625.A OE2 no hydrogen 3.439 N/A GLU 144.A N VAL 140.A O no hydrogen 3.159 N/A GLU 145.A N GLU 141.A O no hydrogen 2.829 N/A GLU 146.A N TYR 142.A O no hydrogen 3.066 N/A LEU 147.A N ARG 143.A O no hydrogen 3.296 N/A LYS 148.A N GLU 144.A O no hydrogen 2.986 N/A SER 149.A N GLU 145.A O no hydrogen 2.982 N/A LEU 150.A N GLU 146.A O no hydrogen 3.043 N/A ARG 151.A N LEU 147.A O no hydrogen 3.082 N/A ARG 151.A N LYS 148.A O no hydrogen 3.234 N/A ARG 151.A NH1 ARG 497.A O no hydrogen 2.898 N/A ARG 151.A NH2 GLU 144.A OE2 no hydrogen 3.024 N/A GLY 152.A N LYS 148.A O no hydrogen 3.308 N/A THR 155.A N ASN 153.A OD1 no hydrogen 3.111 N/A THR 155.A OG1 ASN 153.A OD1 no hydrogen 2.811 N/A ARG 158.A N THR 201.A O no hydrogen 3.067 N/A ARG 158.A NE ASP 162.A OD2 no hydrogen 2.890 N/A ARG 158.A NH1 THR 155.A O no hydrogen 2.971 N/A ARG 158.A NH2 ASP 162.A OD2 no hydrogen 3.428 N/A LYS 159.A N ASP 162.A OD2 no hydrogen 2.971 N/A ASP 162.A N LYS 159.A O no hydrogen 2.938 N/A ARG 163.A NH1 GLU 146.A OE2 no hydrogen 3.558 N/A ARG 163.A NH2 GLU 146.A OE2 no hydrogen 2.967 N/A TYR 165.A N LEU 150.A O no hydrogen 2.852 N/A TYR 165.A OH GLU 225.A OE2 no hydrogen 2.601 N/A TYR 167.A N ASP 166.A OD1 no hydrogen 2.758 N/A TYR 167.A OH GLU 632.A OE1 no hydrogen 2.652 N/A ASP 168.A N ARG 198.A O no hydrogen 2.859 N/A VAL 169.A N ASP 168.A OD1 no hydrogen 2.888 N/A TYR 170.A N LEU 187.A O no hydrogen 2.962 N/A ASN 171.A ND2 ASN 211.A O no hydrogen 3.371 N/A ASN 175.A N LEU 182.A O no hydrogen 2.932 N/A LYS 178.A N ASN 175.A O no hydrogen 3.184 N/A SER 179.A N ASN 175.A O no hydrogen 3.353 N/A LYS 181.A N SER 179.A OG no hydrogen 2.993 N/A LEU 182.A N SER 179.A O no hydrogen 2.902 N/A ALA 183.A N GLU 180.A O.A no hydrogen 3.236 N/A ALA 183.A N GLU 180.A O.B no hydrogen 3.190 N/A ARG 184.A NE GLU 535.A OE2 no hydrogen 2.927 N/A ARG 184.A NH1 LYS 181.A O no hydrogen 2.954 N/A ARG 184.A NH1 ALA 183.A O no hydrogen 2.801 N/A ARG 184.A NH2 GLU 535.A OE1 no hydrogen 2.847 N/A LEU 187.A N TYR 170.A O no hydrogen 3.109 N/A GLY 188.A N PHE 193.A O no hydrogen 2.749 N/A GLY 189.A N ASP 640.A OD1 no hydrogen 3.249 N/A GLY 189.A N ASP 640.A OD2 no hydrogen 2.929 N/A PHE 193.A N SER 190.A OG no hydrogen 2.971 N/A TYR 195.A N ASP 640.A OD2 no hydrogen 2.992 N/A TYR 195.A OH SER 548.A OG no hydrogen 2.755 N/A ARG 197.A N GLY 637.A O no hydrogen 2.999 N/A ARG 197.A NH1 ASP 640.A OD2 no hydrogen 2.951 N/A ARG 197.A NH2 ASP 640.A OD1 no hydrogen 2.920 N/A ARG 198.A N ASP 168.A O no hydrogen 2.924 N/A ARG 198.A NE VAL 169.A O no hydrogen 2.853 N/A ARG 198.A NH1 GLY 199.A O no hydrogen 2.911 N/A ARG 198.A NH1 THR 201.A OG1 no hydrogen 2.994 N/A ARG 198.A NH2 VAL 169.A O no hydrogen 3.213 N/A ARG 198.A NH2 ASN 171.A OD1 no hydrogen 2.918 N/A ARG 198.A NH2 GLU 213.A OE1 no hydrogen 2.872 N/A GLY 199.A N GLU 489.A OE2 no hydrogen 2.884 N/A ARG 200.A N ASP 166.A O no hydrogen 2.919 N/A ARG 200.A NH1 GLY 156.A O no hydrogen 2.841 N/A ARG 200.A NH2 GLY 156.A O no hydrogen 3.438 N/A THR 201.A OG1 GLU 213.A OE1 no hydrogen 3.211 N/A THR 201.A OG1 GLU 213.A OE2 no hydrogen 2.644 N/A ARG 203.A N GLU 213.A OE2 no hydrogen 2.903 N/A ARG 203.A NE LYS 214.A O no hydrogen 2.815 N/A ARG 203.A NH2 LYS 214.A O no hydrogen 3.272 N/A THR 206.A N THR 212.A O no hydrogen 2.958 N/A THR 206.A OG1 ASP 209.A O no hydrogen 2.668 N/A VAL 207.A N ASP 177.A OD2 no hydrogen 2.867 N/A THR 208.A N ASP 177.A OD1 no hydrogen 2.974 N/A THR 208.A OG1 ASP 177.A OD1 no hydrogen 2.651 N/A ASP 209.A N THR 206.A OG1 no hydrogen 2.849 N/A ASN 211.A N ASP 209.A OD1 no hydrogen 2.889 N/A THR 212.A N ASP 209.A O no hydrogen 3.272 N/A THR 212.A OG1 ASP 209.A OD2 no hydrogen 2.729 N/A GLU 213.A N ASN 171.A O no hydrogen 2.895 N/A LYS 214.A N GLY 204.A O no hydrogen 2.768 N/A TYR 220.A OH ILE 164.A O no hydrogen 2.805 N/A ARG 223.A N ASP 162.A O no hydrogen 2.966 N/A ARG 223.A NE TYR 113.A OH no hydrogen 2.902 N/A ARG 223.A NH1 ARG 223.A O no hydrogen 2.889 N/A ARG 223.A NH1 ASN 226.A O no hydrogen 3.009 N/A GLU 225.A N PRO 222.A O no hydrogen 2.916 N/A ASN 226.A N ARG 223.A O no hydrogen 3.067 N/A HIS 229.A ND1 ASP 741.A OD2 no hydrogen 2.700 N/A HIS 229.A NE2 GLU 237.A OE2 no hydrogen 2.937 N/A LYS 231.A NZ SER 740.A OG no hydrogen 3.389 N/A ASP 234.A N LYS 231.A O no hydrogen 2.922 N/A ALA 235.A N SER 232.A O no hydrogen 3.071 N/A GLU 237.A N GLU 237.A OE1 no hydrogen 2.943 N/A ILE 238.A N ALA 235.A O no hydrogen 3.065 N/A GLY 239.A N LEU 236.A O no hydrogen 3.056 N/A SER 242.A N ILE 238.A O no hydrogen 3.461 N/A LEU 243.A N.A GLY 239.A O no hydrogen 2.907 N/A LEU 243.A N.B GLY 239.A O no hydrogen 2.922 N/A SER 244.A N.A THR 240.A O no hydrogen 2.816 N/A SER 244.A N.B THR 240.A O no hydrogen 3.116 N/A SER 244.A OG.B THR 240.A O no hydrogen 2.638 N/A SER 244.A OG.B LYS 241.A O no hydrogen 2.893 N/A GLN 245.A N LYS 241.A O no hydrogen 2.935 N/A ILE 246.A N SER 242.A O no hydrogen 2.912 N/A VAL 247.A N SER 242.A O no hydrogen 2.977 N/A GLN 248.A N LEU 243.A O.A no hydrogen 2.896 N/A GLN 248.A N LEU 243.A O.B no hydrogen 2.539 N/A GLN 248.A NE2 GLU 252.A OE2 no hydrogen 2.970 N/A ALA 250.A N ILE 246.A O no hydrogen 3.427 N/A PHE 251.A N VAL 247.A O no hydrogen 2.964 N/A GLU 252.A N GLN 248.A O no hydrogen 2.888 N/A SER 253.A N PRO 249.A O no hydrogen 3.045 N/A SER 253.A OG ALA 250.A O no hydrogen 2.765 N/A ALA 254.A N ALA 250.A O no hydrogen 3.331 N/A PHE 255.A N PHE 251.A O no hydrogen 3.262 N/A ASP 256.A N GLU 252.A O no hydrogen 2.782 N/A LEU 257.A N SER 253.A O no hydrogen 2.917 N/A LYS 258.A N PHE 255.A O no hydrogen 3.085 N/A SER 259.A N ALA 254.A O no hydrogen 3.005 N/A HIS 265.A N.A ASP 269.A OD2 no hydrogen 2.813 N/A HIS 265.A N.B ASP 269.A OD2 no hydrogen 2.852 N/A HIS 265.A ND1.A ASP 269.A OD2 no hydrogen 2.517 N/A PHE 267.A N GLU 712.A OE1 no hydrogen 2.883 N/A GLN 268.A NE2 ASP 272.A OD1 no hydrogen 2.843 N/A GLN 268.A NE2 GLU 275.A OE1 no hydrogen 2.824 N/A ASP 269.A N SER 266.A O no hydrogen 3.075 N/A ASP 269.A N SER 266.A OG no hydrogen 3.323 N/A VAL 270.A N PHE 267.A O no hydrogen 2.956 N/A HIS 271.A N PHE 267.A O no hydrogen 3.009 N/A HIS 271.A ND1 TYR 274.A OH no hydrogen 2.370 N/A ASP 272.A N GLN 268.A O no hydrogen 2.879 N/A LEU 273.A N VAL 270.A O no hydrogen 3.083 N/A TYR 274.A N HIS 271.A O no hydrogen 3.173 N/A GLU 275.A N ASP 272.A O no hydrogen 3.082 N/A GLY 277.A N ASP 272.A O no hydrogen 2.777 N/A ILE 278.A N LEU 306.A O no hydrogen 2.810 N/A LEU 280.A N HIS 304.A O.A no hydrogen 2.764 N/A LEU 280.A N HIS 304.A O.B no hydrogen 2.949 N/A ARG 282.A NH1 GLN 303.A OE1 no hydrogen 2.941 N/A ARG 282.A NH2 GLN 303.A OE1 no hydrogen 3.373 N/A ILE 285.A N PRO 281.A O no hydrogen 3.089 N/A SER 286.A N ARG 282.A O no hydrogen 2.944 N/A SER 286.A OG ARG 282.A O no hydrogen 3.222 N/A THR 287.A N ASP 283.A O no hydrogen 3.273 N/A THR 287.A OG1 ASP 283.A O no hydrogen 2.964 N/A ILE 288.A N.A ILE 285.A O no hydrogen 3.170 N/A ILE 289.A N ILE 285.A O no hydrogen 2.909 N/A LEU 291.A N ILE 288.A O.A no hydrogen 3.411 N/A LEU 291.A N ILE 288.A O.B no hydrogen 2.907 N/A ILE 294.A N PRO 292.A O no hydrogen 2.769 N/A LYS 295.A N LEU 291.A O no hydrogen 2.953 N/A GLU 296.A N VAL 293.A O no hydrogen 3.068 N/A LEU 297.A N ILE 294.A O no hydrogen 3.009 N/A TYR 298.A OH SER 730.A OG no hydrogen 2.804 N/A ARG 299.A N LYS 307.A O no hydrogen 2.847 N/A THR 300.A OG1 ILE 305.A O no hydrogen 2.668 N/A GLY 302.A N THR 300.A OG1 no hydrogen 3.027 N/A GLN 303.A N ASP 301.A OD1 no hydrogen 2.902 N/A HIS 304.A N.A ASP 301.A OD1 no hydrogen 2.915 N/A HIS 304.A N.B ASP 301.A OD1 no hydrogen 2.785 N/A HIS 304.A ND1.A LEU 280.A O no hydrogen 2.727 N/A ILE 305.A N ASP 301.A OD1 no hydrogen 2.963 N/A LEU 306.A N ILE 278.A O no hydrogen 3.035 N/A LYS 307.A N ARG 299.A O no hydrogen 2.802 N/A PHE 308.A N LEU 273.A O no hydrogen 2.905 N/A VAL 313.A N PRO 680.A O no hydrogen 2.996 N/A VAL 314.A N PRO 311.A O no hydrogen 3.085 N/A GLN 315.A N HIS 312.A O no hydrogen 3.097 N/A GLN 315.A NE2 GLN 310.A O no hydrogen 3.120 N/A ALA 320.A N SER 317.A OG no hydrogen 3.181 N/A MET 322.A N SER 319.A O no hydrogen 3.087 N/A THR 323.A N ALA 320.A O no hydrogen 3.046 N/A THR 323.A OG1 ALA 320.A O no hydrogen 2.844 N/A GLU 326.A N THR 323.A OG1 no hydrogen 3.088 N/A PHE 327.A N THR 323.A O no hydrogen 3.112 N/A ALA 328.A N ASP 324.A O no hydrogen 3.166 N/A ARG 329.A N GLU 325.A O no hydrogen 2.958 N/A ARG 329.A NE GLU 326.A OE1 no hydrogen 2.839 N/A ARG 329.A NH1 ASN 789.A O no hydrogen 3.069 N/A ARG 329.A NH2 GLU 326.A OE1 no hydrogen 3.565 N/A ARG 329.A NH2 GLU 326.A OE2 no hydrogen 2.981 N/A ARG 329.A NH2 TYR 681.A OH no hydrogen 3.136 N/A GLU 330.A N GLU 326.A O no hydrogen 3.015 N/A MET 331.A N ALA 328.A O no hydrogen 3.031 N/A ILE 332.A N ARG 329.A O no hydrogen 3.072 N/A ALA 333.A N ARG 329.A O no hydrogen 2.984 N/A GLY 334.A N GLU 330.A O no hydrogen 2.943 N/A ASN 336.A ND2 ASP 471.A OD1 no hydrogen 3.187 N/A ASN 336.A ND2 ASP 471.A OD2 no hydrogen 3.003 N/A CYS 338.A SG ASN 336.A OD1 no hydrogen 3.881 N/A ARG 341.A N MET 387.A O.A no hydrogen 2.919 N/A ARG 341.A N MET 387.A O.B no hydrogen 3.011 N/A GLY 342.A N ARG 569.A O no hydrogen 2.879 N/A LEU 343.A N LEU 385.A O no hydrogen 2.912 N/A SER 350.A OG ASP 392.A OD1 no hydrogen 2.705 N/A ASN 351.A N ASP 392.A OD2 no hydrogen 2.903 N/A LEU 352.A N SER 350.A OG no hydrogen 3.024 N/A ALA 355.A N ASP 353.A OD1 no hydrogen 3.017 N/A ILE 356.A N ASP 353.A O no hydrogen 3.114 N/A TYR 357.A N ASP 353.A O no hydrogen 3.225 N/A GLY 358.A N PRO 354.A O no hydrogen 2.947 N/A GLN 360.A NE2 GLY 358.A O no hydrogen 2.940 N/A GLN 360.A NE2 ASP 359.A O no hydrogen 3.532 N/A SER 361.A N.A ASP 359.A OD1 no hydrogen 2.984 N/A SER 361.A N.B ASP 359.A OD1 no hydrogen 3.012 N/A SER 361.A OG.A ASP 359.A OD1 no hydrogen 2.665 N/A SER 361.A OG.B ASP 359.A OD1 no hydrogen 3.254 N/A SER 362.A OG GLU 430.A OE1 no hydrogen 2.729 N/A LYS 363.A N.A GLU 430.A OE2 no hydrogen 2.880 N/A LYS 363.A N.B GLU 430.A OE2 no hydrogen 2.789 N/A LYS 363.A NZ.A LYS 363.A O.A no hydrogen 2.871 N/A ILE 364.A N SER 362.A OG no hydrogen 3.245 N/A THR 365.A OG1 ASP 367.A OD1.B no hydrogen 2.952 N/A THR 365.A OG1 SER 368.A OG no hydrogen 3.354 N/A SER 368.A N THR 365.A O no hydrogen 3.140 N/A SER 368.A OG THR 365.A O no hydrogen 2.709 N/A SER 368.A OG THR 365.A OG1 no hydrogen 3.354 N/A LEU 369.A N ALA 366.A O no hydrogen 3.173 N/A ASP 372.A N ASP 370.A OD1 no hydrogen 3.025 N/A TYR 374.A N LEU 371.A O no hydrogen 3.008 N/A TYR 374.A OH GLU 420.A OE2 no hydrogen 2.596 N/A THR 375.A N GLU 378.A OE1 no hydrogen 3.012 N/A GLU 378.A N THR 375.A OG1 no hydrogen 3.093 N/A ALA 379.A N THR 375.A O no hydrogen 2.891 N/A LEU 380.A N MET 376.A O no hydrogen 2.860 N/A GLY 381.A N ASP 377.A O no hydrogen 3.009 N/A SER 382.A N GLU 378.A O no hydrogen 3.011 N/A SER 382.A OG GLU 378.A O no hydrogen 2.838 N/A SER 382.A OG ALA 379.A O no hydrogen 3.412 N/A ARG 383.A N LEU 380.A O no hydrogen 3.199 N/A ARG 384.A N ALA 379.A O no hydrogen 2.995 N/A ARG 384.A NH1 LEU 418.A O no hydrogen 2.880 N/A PHE 386.A N LEU 416.A O no hydrogen 2.937 N/A MET 387.A N.A ARG 341.A O no hydrogen 2.854 N/A MET 387.A N.B ARG 341.A O no hydrogen 2.853 N/A LEU 388.A N THR 414.A O no hydrogen 2.886 N/A TYR 390.A N THR 412.A O no hydrogen 2.871 N/A TYR 390.A OH ASP 471.A OD1 no hydrogen 2.673 N/A HIS 391.A N ASP 389.A OD1 no hydrogen 3.157 N/A HIS 391.A ND1 ASP 392.A OD1 no hydrogen 2.888 N/A PHE 394.A N TYR 390.A O no hydrogen 3.012 N/A MET 395.A N HIS 391.A O no hydrogen 3.022 N/A TYR 397.A N PHE 394.A O no hydrogen 2.877 N/A TYR 397.A OH GLU 546.A OE1 no hydrogen 2.827 N/A VAL 398.A N MET 395.A O no hydrogen 3.288 N/A ARG 399.A NH1 ASP 439.A OD1 no hydrogen 2.642 N/A ARG 399.A NH2 ASP 439.A OD1 no hydrogen 3.209 N/A ARG 399.A NH2 ASP 439.A OD2 no hydrogen 3.493 N/A ILE 401.A N TYR 397.A O no hydrogen 3.036 N/A ASN 402.A N VAL 398.A O no hydrogen 2.868 N/A ASN 402.A ND2 THR 409.A O no hydrogen 3.131 N/A GLN 403.A N ARG 399.A O no hydrogen 3.166 N/A LEU 404.A N ILE 401.A O no hydrogen 3.017 N/A LYS 408.A N SER 692.A O no hydrogen 3.028 N/A LYS 408.A NZ ASN 402.A O no hydrogen 2.828 N/A LYS 408.A NZ ALA 407.A O no hydrogen 2.881 N/A THR 409.A N ASN 402.A OD1 no hydrogen 2.816 N/A THR 409.A OG1 TYR 410.A O no hydrogen 3.117 N/A ALA 411.A N SER 432.A O no hydrogen 2.886 N/A THR 412.A N ASN 470.A OD1 no hydrogen 3.004 N/A THR 412.A OG1 ASN 470.A OD1 no hydrogen 2.761 N/A ARG 413.A N GLU 430.A O no hydrogen 3.009 N/A ARG 413.A NE ASP 389.A OD1 no hydrogen 3.330 N/A ARG 413.A NH1 GLU 430.A OE1 no hydrogen 3.203 N/A THR 414.A N LEU 388.A O no hydrogen 2.996 N/A ILE 415.A N ALA 428.A O no hydrogen 2.941 N/A LEU 416.A N PHE 386.A O no hydrogen 2.866 N/A PHE 417.A N LYS 425.A O no hydrogen 2.945 N/A LEU 418.A N ARG 384.A O no hydrogen 2.833 N/A ARG 419.A N THR 423.A O no hydrogen 2.923 N/A ARG 419.A NE ASP 372.A OD2 no hydrogen 2.814 N/A ARG 419.A NH2 ASP 372.A OD1 no hydrogen 3.034 N/A ARG 419.A NH2 ASP 372.A OD2 no hydrogen 3.482 N/A GLY 422.A N ARG 419.A O no hydrogen 2.921 N/A THR 423.A N ASP 421.A OD1 no hydrogen 2.976 N/A THR 423.A OG1 ASP 421.A OD1 no hydrogen 2.682 N/A LYS 425.A N PHE 417.A O no hydrogen 2.878 N/A LYS 425.A NZ ASP 370.A O no hydrogen 3.003 N/A LYS 425.A NZ ASP 370.A OD1 no hydrogen 3.443 N/A LYS 425.A NZ ASP 372.A OD1 no hydrogen 2.917 N/A VAL 427.A N ILE 415.A O no hydrogen 2.877 N/A ILE 429.A N VAL 448.A O no hydrogen 2.919 N/A GLU 430.A N ARG 413.A O no hydrogen 2.834 N/A LEU 431.A N GLN 446.A O no hydrogen 2.786 N/A SER 432.A N ALA 411.A O no hydrogen 3.063 N/A LEU 433.A N SER 445.A OG no hydrogen 2.924 N/A HIS 435.A N TYR 357.A O no hydrogen 2.915 N/A SER 436.A N ASP 439.A OD2 no hydrogen 2.879 N/A SER 436.A OG ASP 439.A OD1 no hydrogen 2.950 N/A ASP 439.A N SER 436.A O no hydrogen 3.120 N/A ALA 443.A N SER 441.A OG no hydrogen 3.162 N/A GLN 446.A N LEU 431.A O no hydrogen 2.888 N/A VAL 448.A N ILE 429.A O no hydrogen 2.818 N/A GLU 456.A N GLU 456.A OE1 no hydrogen 2.915 N/A SER 457.A N GLU 453.A O no hydrogen 3.320 N/A SER 457.A N GLY 454.A O no hydrogen 3.024 N/A SER 457.A OG GLY 454.A O no hydrogen 2.665 N/A THR 458.A OG1 MET 707.A O no hydrogen 3.558 N/A ILE 459.A N VAL 455.A O no hydrogen 2.945 N/A TRP 460.A N GLU 456.A O no hydrogen 2.992 N/A TRP 460.A NE1 ASP 324.A OD1 no hydrogen 2.833 N/A LEU 461.A N SER 457.A O no hydrogen 2.985 N/A LEU 462.A N THR 458.A O no hydrogen 2.924 N/A ALA 463.A N ILE 459.A O no hydrogen 2.856 N/A LYS 464.A N TRP 460.A O no hydrogen 3.031 N/A LYS 464.A NZ MET 322.A O no hydrogen 2.877 N/A LYS 464.A NZ ASP 324.A OD1 no hydrogen 2.899 N/A ALA 465.A N LEU 461.A O no hydrogen 3.092 N/A TYR 466.A N LEU 462.A O no hydrogen 2.947 N/A TYR 466.A OH ARG 694.A O no hydrogen 2.681 N/A VAL 467.A N ALA 463.A O no hydrogen 3.076 N/A ILE 468.A N LYS 464.A O no hydrogen 2.895 N/A VAL 469.A N ALA 465.A O no hydrogen 2.876 N/A ASN 470.A N TYR 466.A O no hydrogen 3.168 N/A ASN 470.A ND2 TYR 410.A O no hydrogen 3.062 N/A ASP 471.A N VAL 467.A O no hydrogen 2.838 N/A SER 472.A N.A ILE 468.A O no hydrogen 2.723 N/A SER 472.A N.B ILE 468.A O no hydrogen 2.757 N/A SER 472.A OG.A ILE 468.A O no hydrogen 2.979 N/A SER 472.A OG.A PRO 689.A O no hydrogen 2.940 N/A CYS 473.A N VAL 469.A O no hydrogen 3.089 N/A CYS 473.A SG VAL 469.A O no hydrogen 3.395 N/A CYS 473.A SG THR 690.A O no hydrogen 3.852 N/A TYR 474.A N ASN 470.A O no hydrogen 2.914 N/A HIS 475.A N ASP 471.A O no hydrogen 2.711 N/A HIS 475.A NE2 VAL 674.A O no hydrogen 2.731 N/A GLN 476.A N SER 472.A O.A no hydrogen 2.909 N/A GLN 476.A N SER 472.A O.B no hydrogen 2.996 N/A GLN 476.A NE2 GLN 678.A OE1 no hydrogen 3.029 N/A LEU 477.A N CYS 473.A O no hydrogen 2.999 N/A MET 478.A N TYR 474.A O no hydrogen 2.849 N/A SER 479.A N TYR 474.A O no hydrogen 3.085 N/A SER 479.A OG ASN 336.A OD1 no hydrogen 2.757 N/A HIS 480.A N.A HIS 475.A O no hydrogen 2.866 N/A HIS 480.A N.B HIS 475.A O no hydrogen 2.829 N/A TRP 481.A N GLN 476.A O no hydrogen 3.034 N/A TRP 481.A NE1 TYR 195.A OH no hydrogen 2.954 N/A LEU 482.A N LEU 477.A O no hydrogen 2.964 N/A ASN 483.A N MET 478.A O no hydrogen 2.961 N/A THR 484.A N HIS 480.A O.A no hydrogen 3.269 N/A THR 484.A N HIS 480.A O.B no hydrogen 3.034 N/A THR 484.A OG1 HIS 480.A O.A no hydrogen 2.547 N/A THR 484.A OG1 HIS 480.A O.B no hydrogen 2.743 N/A HIS 485.A N THR 484.A OG1 no hydrogen 2.855 N/A HIS 485.A ND1 ASN 520.A OD1 no hydrogen 2.999 N/A HIS 485.A NE2 HIS 480.A NE2.B no hydrogen 3.022 N/A ALA 486.A N TRP 481.A O no hydrogen 2.876 N/A ALA 487.A N LEU 482.A O no hydrogen 2.967 N/A MET 488.A N THR 484.A O no hydrogen 3.011 N/A VAL 492.A N MET 488.A O no hydrogen 3.246 N/A ILE 493.A N GLU 489.A O no hydrogen 3.086 N/A ALA 494.A N PRO 490.A O no hydrogen 3.038 N/A THR 495.A N PHE 491.A O no hydrogen 3.037 N/A THR 495.A OG1 PHE 491.A O no hydrogen 2.705 N/A THR 495.A OG1 TYR 513.A OH no hydrogen 2.830 N/A HIS 496.A N VAL 492.A O no hydrogen 3.226 N/A ARG 497.A N ILE 493.A O no hydrogen 3.037 N/A ARG 497.A NE GLU 632.A OE1 no hydrogen 2.945 N/A ARG 497.A NE GLU 632.A OE2 no hydrogen 3.253 N/A ARG 497.A NH1 ARG 151.A O no hydrogen 3.118 N/A ARG 497.A NH1 TYR 165.A O no hydrogen 2.860 N/A ARG 497.A NH2 GLU 632.A OE2 no hydrogen 3.270 N/A HIS 498.A N ALA 494.A O no hydrogen 3.024 N/A HIS 498.A NE2 GLU 632.A OE2 no hydrogen 2.988 N/A LEU 499.A N THR 495.A O no hydrogen 2.969 N/A SER 500.A N GLU 625.A OE1 no hydrogen 3.014 N/A LEU 502.A N SER 500.A OG no hydrogen 3.088 N/A HIS 503.A N SER 500.A O no hydrogen 2.864 N/A HIS 503.A NE2 ASP 623.A OD2 no hydrogen 2.795 N/A ILE 505.A N HIS 503.A ND1 no hydrogen 2.983 N/A LYS 507.A N HIS 503.A O no hydrogen 3.101 N/A LYS 507.A NZ HIS 128.A O no hydrogen 3.093 N/A LYS 507.A NZ THR 129.A OG1 no hydrogen 2.841 N/A LYS 507.A NZ TRP 753.A O no hydrogen 3.540 N/A LEU 508.A N PRO 504.A O no hydrogen 2.983 N/A LEU 509.A N ILE 505.A O no hydrogen 2.993 N/A THR 510.A N TYR 506.A O no hydrogen 2.956 N/A THR 510.A OG1 TYR 506.A O no hydrogen 2.885 N/A HIS 512.A N LEU 509.A O no hydrogen 2.898 N/A HIS 512.A ND1 ASN 816.A O no hydrogen 2.778 N/A TYR 513.A N THR 510.A O no hydrogen 2.940 N/A TYR 513.A OH THR 495.A OG1 no hydrogen 2.830 N/A ARG 514.A NH2.B GLU 742.A OE1 no hydrogen 3.502 N/A ARG 514.A NH2.B GLU 742.A OE2 no hydrogen 2.814 N/A ASN 515.A ND2 GLU 237.A OE1 no hydrogen 3.260 N/A ASN 515.A ND2 SER 819.A O no hydrogen 2.940 N/A ASN 516.A N TYR 513.A O no hydrogen 3.028 N/A ASN 518.A ND2 ASN 226.A OD1 no hydrogen 3.390 N/A ASN 518.A ND2 ASN 515.A OD1 no hydrogen 2.947 N/A ILE 519.A N.A ASN 515.A O no hydrogen 2.992 N/A ILE 519.A N.B ASN 515.A O no hydrogen 2.987 N/A ASN 520.A N ASN 516.A O no hydrogen 3.030 N/A ASN 520.A ND2 HIS 485.A O no hydrogen 2.946 N/A ASN 520.A ND2 GLU 489.A OE1 no hydrogen 2.855 N/A ALA 521.A N MET 517.A O no hydrogen 2.960 N/A LEU 522.A N ASN 518.A O no hydrogen 3.046 N/A ALA 523.A N ILE 519.A O.A no hydrogen 2.957 N/A ALA 523.A N ILE 519.A O.B no hydrogen 2.785 N/A ARG 524.A N ASN 520.A O no hydrogen 2.923 N/A ARG 524.A NE ASP 172.A OD2 no hydrogen 2.787 N/A GLN 525.A N ALA 521.A O no hydrogen 3.143 N/A GLN 525.A NE2 GLY 216.A O no hydrogen 3.537 N/A GLN 525.A NE2 GLU 217.A O no hydrogen 2.915 N/A SER 526.A N LEU 522.A O no hydrogen 2.997 N/A LEU 527.A N ALA 523.A O no hydrogen 2.833 N/A ILE 528.A N ALA 523.A O no hydrogen 2.915 N/A ALA 530.A N LEU 173.A O no hydrogen 2.918 N/A ASN 531.A N GLU 535.A OE1 no hydrogen 2.868 N/A GLY 532.A N ASN 529.A O no hydrogen 2.954 N/A ILE 533.A N.A SER 526.A O no hydrogen 3.117 N/A ILE 533.A N.B SER 526.A O no hydrogen 3.111 N/A ILE 534.A N.A LEU 527.A O no hydrogen 2.956 N/A ILE 534.A N.B LEU 527.A O no hydrogen 3.051 N/A THR 536.A N GLY 532.A O no hydrogen 3.070 N/A THR 536.A N ILE 533.A O.A no hydrogen 3.197 N/A THR 536.A OG1 GLY 532.A O no hydrogen 2.853 N/A THR 536.A OG1 ILE 533.A O.A no hydrogen 3.441 N/A THR 536.A OG1 ILE 533.A O.B no hydrogen 3.406 N/A THR 537.A N ILE 534.A O.A no hydrogen 3.275 N/A THR 537.A N ILE 534.A O.B no hydrogen 3.131 N/A THR 537.A OG1 ILE 533.A O.A no hydrogen 2.827 N/A THR 537.A OG1 ILE 533.A O.B no hydrogen 2.739 N/A PHE 538.A N ILE 534.A O.A no hydrogen 2.947 N/A PHE 538.A N ILE 534.A O.B no hydrogen 2.887 N/A LEU 539.A N THR 690.A O no hydrogen 3.005 N/A SER 541.A N PHE 538.A O no hydrogen 3.213 N/A TYR 543.A N PRO 540.A O no hydrogen 2.923 N/A SER 544.A N SER 541.A O no hydrogen 3.057 N/A SER 544.A OG SER 541.A O no hydrogen 2.853 N/A MET 547.A N TYR 543.A O no hydrogen 3.148 N/A SER 548.A OG TYR 195.A OH no hydrogen 2.755 N/A SER 548.A OG VAL 545.A O no hydrogen 2.673 N/A SER 549.A N VAL 545.A O no hydrogen 3.368 N/A SER 549.A OG PRO 194.A O no hydrogen 2.686 N/A ALA 550.A N GLU 546.A O no hydrogen 3.173 N/A VAL 551.A N MET 547.A O no hydrogen 3.156 N/A TYR 552.A N SER 548.A O no hydrogen 2.995 N/A TYR 552.A OH HIS 638.A ND1 no hydrogen 2.689 N/A LYS 553.A N SER 549.A O no hydrogen 3.308 N/A ASN 554.A N.A VAL 551.A O no hydrogen 3.006 N/A ASN 554.A N.B VAL 551.A O no hydrogen 2.967 N/A TRP 555.A N TYR 552.A O no hydrogen 2.989 N/A ASP 559.A N VAL 556.A O no hydrogen 3.111 N/A GLN 560.A N PHE 557.A O no hydrogen 3.127 N/A GLN 560.A NE2 VAL 556.A O no hydrogen 3.158 N/A ASP 565.A N ALA 561.A O no hydrogen 2.917 N/A LEU 566.A N LEU 562.A O no hydrogen 2.996 N/A ILE 567.A N PRO 563.A O no hydrogen 3.039 N/A LYS 568.A N ALA 564.A O no hydrogen 2.864 N/A LYS 568.A NZ ASP 559.A OD2 no hydrogen 2.737 N/A ARG 569.A N ASP 565.A O no hydrogen 2.969 N/A ARG 569.A NE ASP 565.A OD1 no hydrogen 3.078 N/A ARG 569.A NE ASP 565.A OD2 no hydrogen 3.328 N/A ARG 569.A NH1 ILE 340.A O no hydrogen 2.809 N/A ARG 569.A NH1 TYR 589.A OH no hydrogen 3.053 N/A ARG 569.A NH2 ASP 565.A OD2 no hydrogen 2.859 N/A ARG 569.A NH2 TYR 589.A OH no hydrogen 3.214 N/A GLY 570.A N ILE 567.A O no hydrogen 2.999 N/A VAL 571.A N LEU 566.A O no hydrogen 3.114 N/A ILE 573.A N ARG 583.A O no hydrogen 2.932 N/A ASP 575.A N GLY 581.A O no hydrogen 2.958 N/A SER 577.A N ASP 575.A OD1 no hydrogen 3.091 N/A SER 577.A OG ASP 575.A OD1 no hydrogen 2.575 N/A THR 578.A N ASP 575.A O no hydrogen 3.198 N/A THR 578.A OG1 ASP 575.A O no hydrogen 2.744 N/A THR 578.A OG1 VAL 582.A O no hydrogen 3.213 N/A HIS 580.A NE2 GLU 597.A OE2 no hydrogen 3.099 N/A GLY 581.A N THR 578.A O no hydrogen 3.091 N/A ARG 583.A N ILE 573.A O no hydrogen 2.822 N/A LEU 585.A N VAL 571.A O no hydrogen 2.908 N/A TYR 589.A OH PRO 337.A O no hydrogen 2.643 N/A TYR 591.A N ILE 332.A O no hydrogen 3.302 N/A ALA 593.A N TYR 589.A O no hydrogen 2.907 N/A ASP 594.A N PRO 590.A O no hydrogen 2.985 N/A GLY 595.A N TYR 591.A O no hydrogen 2.806 N/A LEU 596.A N ALA 592.A O no hydrogen 2.954 N/A ILE 598.A N ASP 594.A O no hydrogen 3.265 N/A TRP 599.A N GLY 595.A O no hydrogen 2.814 N/A ALA 600.A N LEU 596.A O no hydrogen 2.965 N/A ALA 601.A N GLU 597.A O no hydrogen 3.156 N/A ILE 602.A N ILE 598.A O no hydrogen 2.994 N/A LYS 603.A N TRP 599.A O no hydrogen 2.896 N/A THR 604.A N ALA 600.A O no hydrogen 3.019 N/A THR 604.A OG1 ALA 600.A O no hydrogen 3.166 N/A TRP 605.A N ALA 601.A O no hydrogen 3.217 N/A VAL 606.A N ILE 602.A O no hydrogen 2.916 N/A GLN 607.A N LYS 603.A O no hydrogen 2.913 N/A GLU 608.A N THR 604.A O no hydrogen 2.931 N/A GLU 608.A N TRP 605.A O no hydrogen 3.238 N/A TYR 609.A N TRP 605.A O no hydrogen 2.978 N/A TYR 609.A OH PRO 504.A O no hydrogen 2.664 N/A VAL 610.A N VAL 606.A O no hydrogen 2.986 N/A LEU 612.A N TYR 609.A O no hydrogen 3.052 N/A TYR 613.A N VAL 610.A O no hydrogen 3.036 N/A TYR 613.A OH ASP 756.A OD2 no hydrogen 2.691 N/A TYR 614.A N VAL 610.A O no hydrogen 2.995 N/A TYR 614.A OH ASP 623.A OD2 no hydrogen 2.601 N/A ARG 616.A N ASP 619.A OD2 no hydrogen 2.958 N/A ASP 619.A N ARG 616.A O no hydrogen 3.037 N/A VAL 620.A N ASP 617.A O no hydrogen 2.960 N/A LYS 621.A N ASP 617.A O no hydrogen 3.232 N/A ASN 622.A N ASP 618.A O no hydrogen 2.978 N/A ASP 623.A N VAL 620.A O no hydrogen 3.332 N/A LEU 626.A N ASP 623.A OD1 no hydrogen 3.053 N/A GLN 627.A N ASP 623.A O no hydrogen 3.001 N/A GLN 627.A NE2 VAL 620.A O no hydrogen 3.002 N/A GLN 627.A NE2 LEU 650.A O no hydrogen 2.858 N/A HIS 628.A N SER 624.A O no hydrogen 2.986 N/A HIS 628.A ND1 SER 624.A O no hydrogen 2.801 N/A TRP 629.A N GLU 625.A O no hydrogen 2.879 N/A TRP 629.A NE1 THR 495.A OG1 no hydrogen 3.110 N/A TRP 630.A N LEU 626.A O no hydrogen 3.056 N/A TRP 630.A NE1 PRO 648.A O no hydrogen 2.938 N/A LYS 631.A N GLN 627.A O no hydrogen 3.070 N/A LYS 631.A NZ GLU 635.A OE1 no hydrogen 2.912 N/A GLU 632.A N HIS 628.A O no hydrogen 3.075 N/A ALA 633.A N TRP 629.A O no hydrogen 2.918 N/A VAL 634.A N TRP 630.A O no hydrogen 3.126 N/A GLU 635.A N LYS 631.A O no hydrogen 2.849 N/A LYS 636.A N GLU 632.A O no hydrogen 2.944 N/A GLY 637.A N GLU 632.A O no hydrogen 3.002 N/A HIS 638.A N ALA 633.A O no hydrogen 2.893 N/A HIS 638.A ND1 TYR 552.A OH no hydrogen 2.689 N/A HIS 638.A NE2 ALA 487.A O no hydrogen 2.996 N/A GLY 639.A N LYS 636.A O no hydrogen 3.170 N/A LEU 641.A N HIS 638.A O no hydrogen 3.001 N/A LYS 642.A N GLY 639.A O no hydrogen 3.181 N/A LYS 644.A N LEU 641.A O no hydrogen 3.176 N/A TRP 647.A NE1 LEU 641.A O no hydrogen 2.924 N/A LEU 650.A N ASP 655.A OD1 no hydrogen 3.100 N/A GLN 651.A NE2 GLN 627.A OE1 no hydrogen 3.018 N/A GLN 651.A NE2 LYS 649.A O no hydrogen 3.002 N/A LEU 653.A N ASP 617.A OD1 no hydrogen 2.854 N/A ASP 655.A N THR 652.A OG1 no hydrogen 3.052 N/A LEU 656.A N THR 652.A O no hydrogen 3.153 N/A VAL 657.A N LEU 653.A O no hydrogen 3.055 N/A GLU 658.A N GLU 654.A O no hydrogen 2.993 N/A VAL 659.A N ASP 655.A O no hydrogen 2.978 N/A CYS 660.A N LEU 656.A O no hydrogen 3.129 N/A CYS 660.A SG LEU 656.A O no hydrogen 3.451 N/A LEU 661.A N VAL 657.A O no hydrogen 2.915 N/A ILE 662.A N GLU 658.A O no hydrogen 3.052 N/A ILE 663.A N VAL 659.A O no hydrogen 3.089 N/A ILE 664.A N CYS 660.A O no hydrogen 2.970 N/A TRP 665.A N LEU 661.A O no hydrogen 2.953 N/A ILE 666.A N ILE 662.A O no hydrogen 3.000 N/A ALA 667.A N ILE 663.A O no hydrogen 3.127 N/A SER 668.A N ILE 664.A O no hydrogen 3.070 N/A SER 668.A OG ILE 664.A O no hydrogen 2.685 N/A LEU 670.A N TRP 665.A O no hydrogen 2.987 N/A HIS 671.A N ILE 666.A O no hydrogen 3.241 N/A ALA 672.A N SER 668.A O no hydrogen 2.925 N/A ALA 673.A N ALA 669.A O no hydrogen 2.941 N/A VAL 674.A N LEU 670.A O no hydrogen 3.178 N/A ASN 675.A N ALA 672.A O no hydrogen 3.246 N/A ASN 675.A ND2 LEU 735.A O no hydrogen 2.805 N/A PHE 676.A N ALA 672.A O no hydrogen 3.070 N/A GLN 678.A N ASN 675.A O no hydrogen 3.241 N/A GLN 678.A NE2 ASN 675.A O no hydrogen 3.201 N/A TYR 679.A N SER 736.A OG no hydrogen 2.847 N/A TYR 679.A OH PRO 309.A O no hydrogen 2.663 N/A TYR 681.A N GLY 677.A O no hydrogen 2.979 N/A TYR 681.A OH ALA 333.A O no hydrogen 2.729 N/A GLY 682.A N GLN 678.A O no hydrogen 2.762 N/A GLY 683.A N TYR 679.A O no hydrogen 2.784 N/A ASN 687.A N LEU 684.A O no hydrogen 2.940 N/A ASN 687.A ND2 GLU 330.A OE1 no hydrogen 3.184 N/A ASN 687.A ND2 GLU 330.A OE2 no hydrogen 3.442 N/A ASN 687.A ND2 TYR 681.A O no hydrogen 2.918 N/A ARG 688.A N LEU 684.A O no hydrogen 3.403 N/A ARG 688.A NH1 ASP 471.A OD2 no hydrogen 3.347 N/A ARG 688.A NH2 ASP 471.A OD2 no hydrogen 2.819 N/A THR 690.A N THR 720.A OG1 no hydrogen 3.114 N/A THR 690.A OG1 THR 537.A O no hydrogen 2.698 N/A THR 690.A OG1 THR 720.A OG1 no hydrogen 2.765 N/A SER 692.A OG LYS 408.A O no hydrogen 2.699 N/A ARG 693.A N THR 718.A O no hydrogen 2.784 N/A ARG 693.A NE ILE 719.A O no hydrogen 2.946 N/A ARG 693.A NH1 GLU 263.A OE2 no hydrogen 2.940 N/A ARG 693.A NH2 GLU 263.A OE1 no hydrogen 2.933 N/A ARG 693.A NH2 LEU 716.A O no hydrogen 3.070 N/A ARG 693.A NH2 ILE 719.A O no hydrogen 3.072 N/A ARG 694.A NE THR 718.A OG1 no hydrogen 3.394 N/A ARG 694.A NH2 GLU 706.A OE1 no hydrogen 3.125 N/A ARG 694.A NH2 ALA 714.A O no hydrogen 3.190 N/A LEU 696.A N TYR 410.A OH no hydrogen 3.082 N/A THR 701.A OG1 GLU 698.A O no hydrogen 2.722 N/A TYR 704.A N THR 701.A OG1 no hydrogen 3.204 N/A GLU 705.A N THR 701.A O no hydrogen 3.160 N/A GLU 706.A N PRO 702.A O no hydrogen 3.031 N/A MET 707.A N GLU 703.A O no hydrogen 3.407 N/A ILE 708.A N GLU 705.A O no hydrogen 3.089 N/A ASN 709.A N GLU 705.A O no hydrogen 2.969 N/A ASN 710.A N GLU 706.A O no hydrogen 2.838 N/A LYS 713.A N ASN 710.A OD1 no hydrogen 3.378 N/A LYS 713.A NZ HIS 265.A ND1.B no hydrogen 3.142 N/A ALA 714.A N ASN 710.A O no hydrogen 3.038 N/A TYR 715.A N HIS 711.A O no hydrogen 3.036 N/A TYR 715.A OH MET 686.A O no hydrogen 2.690 N/A LEU 716.A N GLU 712.A O no hydrogen 2.973 N/A ARG 717.A N.A LYS 713.A O no hydrogen 2.922 N/A ARG 717.A N.B LYS 713.A O no hydrogen 2.953 N/A ARG 717.A NE.A GLU 706.A OE2 no hydrogen 2.614 N/A ARG 717.A NH1.B ARG 717.A O.B no hydrogen 2.879 N/A THR 718.A N ALA 714.A O no hydrogen 3.292 N/A THR 718.A N TYR 715.A O no hydrogen 3.069 N/A THR 718.A OG1 ALA 714.A O no hydrogen 2.852 N/A ILE 719.A N TYR 715.A O no hydrogen 3.095 N/A THR 720.A OG1 THR 690.A OG1 no hydrogen 2.765 N/A SER 721.A OG GLU 263.A OE2 no hydrogen 2.841 N/A LYS 722.A NZ THR 260.A OG1 no hydrogen 2.985 N/A LYS 722.A NZ PRO 261.A O no hydrogen 2.784 N/A THR 725.A N SER 721.A O no hydrogen 2.940 N/A THR 725.A OG1 THR 720.A O no hydrogen 3.448 N/A THR 725.A OG1 SER 721.A O no hydrogen 2.874 N/A LEU 726.A N LYS 722.A O no hydrogen 3.006 N/A ILE 727.A N.A LEU 723.A O no hydrogen 3.302 N/A ILE 727.A N.B LEU 723.A O no hydrogen 3.300 N/A SER 728.A N.A PRO 724.A O no hydrogen 2.921 N/A SER 728.A N.B PRO 724.A O no hydrogen 2.783 N/A SER 728.A OG.A PRO 724.A O no hydrogen 3.053 N/A SER 728.A OG.A THR 725.A O no hydrogen 3.347 N/A LEU 729.A N THR 725.A O no hydrogen 2.865 N/A SER 730.A N LEU 726.A O no hydrogen 3.289 N/A SER 730.A OG TYR 298.A OH no hydrogen 2.804 N/A SER 730.A OG LEU 726.A O no hydrogen 2.815 N/A VAL 731.A N.A ILE 727.A O.A no hydrogen 3.082 N/A VAL 731.A N.A ILE 727.A O.B no hydrogen 3.122 N/A VAL 731.A N.B ILE 727.A O.A no hydrogen 3.065 N/A VAL 731.A N.B ILE 727.A O.B no hydrogen 3.106 N/A ILE 732.A N SER 728.A O.A no hydrogen 3.082 N/A ILE 732.A N SER 728.A O.B no hydrogen 2.967 N/A GLU 733.A N LEU 729.A O no hydrogen 3.027 N/A ILE 734.A N SER 730.A O no hydrogen 3.230 N/A LEU 735.A N VAL 731.A O.A no hydrogen 3.043 N/A LEU 735.A N VAL 731.A O.B no hydrogen 3.007 N/A SER 736.A N ILE 732.A O no hydrogen 3.068 N/A SER 736.A OG ILE 732.A O no hydrogen 2.791 N/A THR 737.A N ILE 734.A O no hydrogen 3.128 N/A THR 737.A OG1 GLU 733.A O no hydrogen 2.819 N/A THR 737.A OG1 ILE 734.A O no hydrogen 3.562 N/A HIS 738.A N GLY 808.A O no hydrogen 2.857 N/A HIS 738.A NE2 ARG 812.A O no hydrogen 2.647 N/A SER 740.A N ASP 234.A OD1 no hydrogen 2.898 N/A SER 740.A OG ASP 234.A OD1 no hydrogen 3.559 N/A SER 740.A OG ASP 234.A OD2 no hydrogen 2.634 N/A GLU 742.A N ALA 739.A O no hydrogen 3.205 N/A VAL 743.A N GLU 742.A OE2 no hydrogen 2.900 N/A TYR 744.A N GLN 747.A OE1 no hydrogen 2.922 N/A LEU 745.A N ILE 814.A O no hydrogen 2.865 N/A GLN 747.A N TYR 744.A O no hydrogen 2.868 N/A ARG 748.A NH1 LYS 507.A O no hydrogen 2.756 N/A ARG 748.A NH2 LYS 507.A O no hydrogen 3.400 N/A ARG 748.A NH2 LEU 508.A O no hydrogen 3.505 N/A HIS 752.A N ASN 750.A OD1 no hydrogen 2.782 N/A THR 754.A OG1 THR 129.A OG1 no hydrogen 2.840 N/A SER 755.A N ASN 127.A O no hydrogen 3.125 N/A SER 755.A OG HIS 128.A ND1 no hydrogen 2.813 N/A ASP 756.A N THR 754.A OG1 no hydrogen 3.029 N/A LEU 760.A N ASP 756.A O no hydrogen 3.115 N/A GLN 761.A N SER 757.A O no hydrogen 2.914 N/A ALA 762.A N LYS 758.A O no hydrogen 3.019 N/A PHE 763.A N ALA 759.A O no hydrogen 2.991 N/A GLN 764.A N LEU 760.A O no hydrogen 3.021 N/A LYS 765.A N GLN 761.A O no hydrogen 3.097 N/A LYS 765.A NZ GLU 608.A OE1 no hydrogen 3.565 N/A LYS 765.A NZ GLU 608.A OE2 no hydrogen 2.727 N/A PHE 766.A N ALA 762.A O no hydrogen 3.102 N/A GLY 767.A N PHE 763.A O no hydrogen 2.998 N/A ASN 768.A N GLN 764.A O no hydrogen 2.932 N/A LYS 769.A N LYS 765.A O no hydrogen 2.948 N/A LYS 769.A NZ GLU 772.A OE2 no hydrogen 2.991 N/A LEU 770.A N PHE 766.A O no hydrogen 3.055 N/A LYS 771.A N GLY 767.A O no hydrogen 3.173 N/A GLU 772.A N ASN 768.A O no hydrogen 3.055 N/A ILE 773.A N LYS 769.A O no hydrogen 2.847 N/A GLU 774.A N LEU 770.A O no hydrogen 2.969 N/A GLU 775.A N LYS 771.A O no hydrogen 3.215 N/A LYS 776.A N GLU 772.A O no hydrogen 3.214 N/A LYS 776.A NZ GLU 597.A OE2 no hydrogen 3.139 N/A LEU 777.A N ILE 773.A O no hydrogen 2.958 N/A VAL 778.A N GLU 774.A O no hydrogen 2.910 N/A ARG 779.A N GLU 775.A O no hydrogen 3.137 N/A ARG 780.A N LYS 776.A O no hydrogen 2.952 N/A ARG 780.A NH1 ASP 594.A OD1 no hydrogen 2.889 N/A ASN 781.A N LEU 777.A O no hydrogen 3.020 N/A ASN 781.A ND2 TYR 798.A O no hydrogen 2.988 N/A ASN 781.A ND2 TYR 802.A OH no hydrogen 2.935 N/A ASN 782.A N VAL 778.A O no hydrogen 2.991 N/A ASP 783.A N ARG 780.A O no hydrogen 3.161 N/A SER 785.A N.A ASP 783.A OD1 no hydrogen 2.915 N/A SER 785.A N.B ASP 783.A OD1 no hydrogen 2.912 N/A SER 785.A OG.A ASP 783.A OD1 no hydrogen 2.749 N/A SER 785.A OG.A ASP 783.A OD2 no hydrogen 3.264 N/A LEU 786.A N ASP 783.A O no hydrogen 2.961 N/A GLN 787.A N PRO 784.A O no hydrogen 3.304 N/A GLN 787.A NE2 GLY 792.A O no hydrogen 2.987 N/A GLN 787.A NE2 GLN 795.A OE1 no hydrogen 2.851 N/A ASN 789.A ND2 GLY 422.A O no hydrogen 2.924 N/A ASN 789.A ND2 ASP 588.A O no hydrogen 2.792 N/A ARG 790.A N LEU 786.A O no hydrogen 3.028 N/A ARG 790.A NE ASN 781.A OD1 no hydrogen 2.816 N/A ARG 790.A NH1 ASP 594.A OD1 no hydrogen 2.880 N/A ARG 790.A NH1 ASP 594.A OD2 no hydrogen 3.565 N/A ARG 790.A NH2 ASP 594.A OD1 no hydrogen 3.505 N/A ARG 790.A NH2 ASP 594.A OD2 no hydrogen 2.841 N/A ARG 790.A NH2 ASN 781.A OD1 no hydrogen 3.245 N/A LEU 791.A N GLN 787.A O no hydrogen 2.986 N/A GLY 792.A N GLN 787.A O no hydrogen 2.982 N/A GLN 795.A N GLY 792.A O no hydrogen 2.922 N/A LEU 796.A N LEU 791.A O no hydrogen 3.047 N/A TYR 798.A N ARG 790.A O no hydrogen 3.027 N/A THR 799.A OG1 PHE 811.A O no hydrogen 2.720 N/A TYR 802.A N THR 799.A O no hydrogen 3.034 N/A SER 804.A N GLU 774.A OE1 no hydrogen 3.046 N/A SER 804.A OG GLU 774.A OE1 no hydrogen 2.720 N/A SER 804.A OG GLU 774.A OE2 no hydrogen 3.086 N/A SER 805.A OG GLU 806.A O no hydrogen 2.699 N/A SER 805.A OG THR 810.A OG1 no hydrogen 2.726 N/A SER 805.A OG ARG 812.A O no hydrogen 3.542 N/A GLU 807.A N GLU 807.A OE1 no hydrogen 3.027 N/A GLY 808.A N HIS 738.A O no hydrogen 2.952 N/A THR 810.A OG1 SER 805.A OG no hydrogen 2.726 N/A THR 810.A OG1 ARG 812.A O no hydrogen 3.205 N/A ARG 812.A NE SER 804.A O no hydrogen 2.862 N/A ARG 812.A NH2 SER 804.A O no hydrogen 3.044 N/A ARG 812.A NH2 SER 804.A OG no hydrogen 3.157 N/A GLY 813.A N TYR 802.A O no hydrogen 3.014 N/A ILE 814.A N PRO 803.A O no hydrogen 2.971 N/A ASN 816.A N VAL 743.A O no hydrogen 3.024 N/A ASN 816.A ND2 GLN 747.A O no hydrogen 3.086 N/A SER 817.A OG ARG 514.A O.A no hydrogen 2.690 N/A SER 817.A OG ARG 514.A O.B no hydrogen 2.684 N/A SER 819.A OG GLU 742.A OE1 no hydrogen 2.665 N/A