Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ndk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N SER 22.A O no hydrogen 2.901 N/A PHE 4.A N ILE 20.A O no hydrogen 3.227 N/A TYR 5.A OH ILE 353.A O no hydrogen 2.662 N/A LEU 6.A N ARG 18.A O no hydrogen 2.730 N/A THR 7.A N ARG 18.A O no hydrogen 3.197 N/A THR 7.A OG1 GLY 267.A O no hydrogen 3.386 N/A GLU 9.A N PHE 16.A O no hydrogen 2.881 N/A GLN 10.A NE2 GLY 12.A O no hydrogen 3.220 N/A ILE 11.A N SER 14.A O no hydrogen 2.872 N/A SER 14.A N ILE 11.A O no hydrogen 3.085 N/A SER 14.A OG GLU 30.A OE2 no hydrogen 2.601 N/A ILE 15.A N VAL 31.A O no hydrogen 2.765 N/A PHE 16.A N GLU 9.A O no hydrogen 2.902 N/A GLU 17.A N ARG 29.A O no hydrogen 2.939 N/A ARG 18.A N THR 7.A O no hydrogen 3.080 N/A ARG 18.A NE GLU 26.A OE2 no hydrogen 3.292 N/A ARG 18.A NH1 PRO 210.A O no hydrogen 2.824 N/A ARG 18.A NH1 GLY 267.A O no hydrogen 2.805 N/A ARG 18.A NH2 GLU 26.A OE2 no hydrogen 2.714 N/A ARG 18.A NH2 THR 209.A O no hydrogen 2.840 N/A TYR 19.A N ARG 27.A O no hydrogen 2.900 N/A ILE 20.A N PHE 4.A O no hydrogen 2.851 N/A ASP 21.A N ARG 25.A O no hydrogen 2.862 N/A SER 22.A N GLU 3.A OE1 no hydrogen 2.949 N/A SER 22.A OG GLU 3.A OE1 no hydrogen 3.543 N/A ASN 23.A N ASP 21.A OD1 no hydrogen 2.869 N/A GLY 24.A N ASP 21.A O no hydrogen 2.917 N/A ARG 25.A N ASP 21.A OD1 no hydrogen 2.969 N/A ARG 27.A N TYR 19.A O no hydrogen 2.809 N/A ARG 27.A NH1.A GLU 26.A O no hydrogen 3.174 N/A ARG 29.A N GLU 17.A O no hydrogen 2.912 N/A ARG 29.A NE GLU 17.A OE2 no hydrogen 2.831 N/A ARG 29.A NH2 GLU 17.A OE2 no hydrogen 2.890 N/A VAL 31.A N ILE 15.A O no hydrogen 2.773 N/A TYR 33.A OH ASP 95.A OD1 no hydrogen 2.676 N/A LEU 37.A N LYS 60.A O no hydrogen 3.080 N/A PHE 38.A N LEU 83.A O no hydrogen 2.892 N/A ALA 39.A N THR 58.A O no hydrogen 3.141 N/A HIS 40.A NE2 ASP 51.A OD2 no hydrogen 2.707 N/A CYS 41.A N PRO 56.A O no hydrogen 3.148 N/A CYS 41.A SG PRO 42.A O no hydrogen 3.799 N/A GLN 45.A N PRO 42.A O no hydrogen 3.023 N/A THR 47.A OG1 CYS 57.A O no hydrogen 2.838 N/A TYR 49.A N THR 47.A OG1 no hydrogen 3.111 N/A PHE 50.A N ASN 377.A O no hydrogen 3.436 N/A ASP 51.A N LYS 55.A O no hydrogen 2.776 N/A TYR 53.A N ASP 51.A OD1 no hydrogen 2.941 N/A GLY 54.A N ASP 51.A O no hydrogen 2.924 N/A LYS 55.A N ASP 51.A OD1 no hydrogen 2.860 N/A CYS 57.A N TYR 49.A O no hydrogen 2.864 N/A CYS 57.A SG LYS 55.A O no hydrogen 3.842 N/A THR 58.A N ALA 39.A O no hydrogen 2.802 N/A THR 58.A OG1.B ALA 39.A O no hydrogen 3.295 N/A ARG 59.A NH1 SER 36.A OG no hydrogen 2.926 N/A LYS 60.A N LEU 37.A O no hydrogen 2.776 N/A PHE 62.A N PRO 35.A O no hydrogen 3.108 N/A ARG 66.A N ASP 13.A OD2 no hydrogen 2.929 N/A ARG 66.A NE ASP 13.A OD1 no hydrogen 3.020 N/A ARG 66.A NE ASP 13.A OD2 no hydrogen 3.032 N/A ARG 66.A NH2 ASP 13.A OD1 no hydrogen 3.286 N/A ASP 67.A N ASN 64.A OD1 no hydrogen 2.833 N/A ALA 68.A N ASN 64.A O no hydrogen 3.340 N/A SER 69.A N MET 65.A O no hydrogen 3.026 N/A SER 69.A OG.B MET 65.A O no hydrogen 3.390 N/A SER 69.A OG.B ARG 66.A O no hydrogen 2.827 N/A GLN 70.A N ARG 66.A O no hydrogen 2.872 N/A TRP 71.A N ASP 67.A O no hydrogen 2.846 N/A ILE 72.A N ALA 68.A O no hydrogen 3.108 N/A LYS 73.A N SER 69.A O no hydrogen 3.330 N/A LYS 73.A NZ GLN 70.A OE1 no hydrogen 2.660 N/A ARG 74.A N GLN 70.A O no hydrogen 3.072 N/A MET 75.A N TRP 71.A O no hydrogen 2.831 N/A GLU 76.A N ILE 72.A O no hydrogen 3.038 N/A ASP 77.A N LYS 73.A O no hydrogen 2.993 N/A ILE 78.A N ARG 74.A O no hydrogen 2.932 N/A GLY 79.A N MET 75.A O no hydrogen 2.795 N/A LEU 80.A N MET 75.A O no hydrogen 2.856 N/A ALA 82.A N GLN 382.A OE1 no hydrogen 3.062 N/A LEU 83.A N PHE 38.A O no hydrogen 2.875 N/A GLY 84.A N ILE 380.A O no hydrogen 3.121 N/A LYS 89.A NZ ASP 87.A OD1 no hydrogen 2.949 N/A LEU 90.A N ASP 87.A O no hydrogen 3.100 N/A ALA 91.A N ASP 87.A O no hydrogen 3.350 N/A TYR 92.A N PHE 88.A O no hydrogen 2.845 N/A TYR 92.A OH GLU 17.A OE2 no hydrogen 2.490 N/A LEU 93.A N LYS 89.A O no hydrogen 2.952 N/A SER 94.A N LEU 90.A O no hydrogen 3.009 N/A SER 94.A OG ASN 371.A OD1 no hydrogen 2.651 N/A ASP 95.A N ALA 91.A O no hydrogen 2.981 N/A THR 96.A N TYR 92.A O no hydrogen 2.810 N/A THR 96.A OG1 TYR 92.A O no hydrogen 2.708 N/A TYR 97.A N LEU 93.A O no hydrogen 2.851 N/A TYR 97.A OH GLU 17.A OE1 no hydrogen 2.354 N/A TYR 99.A OH GLU 3.A O no hydrogen 2.652 N/A TYR 103.A OH ASP 346.A OD1 no hydrogen 2.535 N/A THR 106.A N ASP 104.A OD1 no hydrogen 3.183 N/A THR 106.A OG1 ASP 104.A OD1 no hydrogen 2.750 N/A THR 106.A OG1 ASP 104.A OD2 no hydrogen 3.251 N/A LYS 107.A N ASP 104.A O no hydrogen 3.088 N/A LYS 107.A NZ ASP 104.A OD2 no hydrogen 2.923 N/A ILE 108.A N HIS 105.A O no hydrogen 3.077 N/A ARG 109.A NH1 ASP 140.A OD2 no hydrogen 2.808 N/A VAL 110.A N SER 141.A OG no hydrogen 2.924 N/A ALA 111.A N ILE 212.A O no hydrogen 2.842 N/A ASN 112.A N TYR 139.A O no hydrogen 3.034 N/A PHE 113.A N THR 214.A O no hydrogen 3.309 N/A ASP 114.A N THR 137.A O no hydrogen 3.012 N/A GLU 116.A N ALA 135.A O no hydrogen 2.812 N/A THR 118.A N ASP 134.A OD2 no hydrogen 3.197 N/A THR 118.A OG1 ASP 134.A OD2 no hydrogen 2.628 N/A THR 118.A OG1 TYR 320.A OH no hydrogen 3.408 N/A SER 119.A OG ASP 121.A OD2 no hydrogen 3.167 N/A SER 119.A OG GLY 122.A O no hydrogen 2.589 N/A GLN 128.A N GLU 125.A O no hydrogen 3.085 N/A ALA 129.A N GLU 125.A O no hydrogen 2.890 N/A LYS 130.A NZ ASP 121.A OD1 no hydrogen 3.298 N/A HIS 131.A N TYR 225.A OH no hydrogen 2.949 N/A ILE 133.A N GLU 194.A OE1 no hydrogen 2.999 N/A ASP 134.A N GLU 116.A O no hydrogen 2.973 N/A ILE 136.A N PHE 149.A O no hydrogen 2.865 N/A THR 137.A N ASP 114.A O no hydrogen 3.029 N/A THR 137.A OG1 ASN 324.A OD1 no hydrogen 2.578 N/A HIS 138.A N TYR 147.A O no hydrogen 2.815 N/A HIS 138.A ND1 TYR 201.A OH no hydrogen 2.916 N/A TYR 139.A N ASN 112.A O no hydrogen 2.741 N/A TYR 139.A OH ASP 144.A OD1 no hydrogen 2.560 N/A ASP 140.A N ARG 145.A O no hydrogen 3.072 N/A SER 141.A N VAL 110.A O no hydrogen 3.017 N/A SER 141.A OG VAL 110.A O no hydrogen 3.443 N/A ASP 143.A N ASP 140.A OD1 no hydrogen 2.859 N/A ARG 145.A N ASP 140.A O no hydrogen 3.410 N/A ARG 145.A NH1 ASP 144.A O no hydrogen 2.799 N/A PHE 146.A N LYS 185.A O no hydrogen 2.792 N/A TYR 147.A N HIS 138.A O no hydrogen 2.887 N/A TYR 147.A OH ASP 143.A OD2 no hydrogen 2.694 N/A VAL 148.A N ILE 187.A O no hydrogen 2.892 N/A PHE 149.A N ILE 136.A O no hydrogen 2.691 N/A ASP 150.A N MET 189.A O no hydrogen 2.928 N/A LEU 151.A N ASP 134.A O no hydrogen 3.000 N/A LEU 152.A N PHE 191.A O no hydrogen 2.888 N/A ASN 153.A ND2 ASP 192.A O no hydrogen 3.001 N/A SER 154.A N GLY 157.A O no hydrogen 3.247 N/A TYR 156.A N SER 154.A OG no hydrogen 3.037 N/A GLY 157.A N SER 154.A O no hydrogen 2.990 N/A VAL 159.A N LEU 152.A O no hydrogen 2.749 N/A TRP 162.A N TYR 188.A OH no hydrogen 2.917 N/A TRP 162.A NE1 SER 322.A OG no hydrogen 3.005 N/A SER 163.A N GLN 318.A OE1 no hydrogen 2.801 N/A SER 163.A OG GLU 165.A OE1 no hydrogen 2.715 N/A GLU 165.A N GLU 165.A OE1 no hydrogen 2.845 N/A ILE 166.A N SER 163.A OG no hydrogen 3.257 N/A ALA 167.A N SER 163.A O no hydrogen 3.032 N/A ALA 168.A N ILE 164.A O no hydrogen 3.091 N/A LYS 169.A N ILE 166.A O no hydrogen 3.211 N/A LEU 170.A N GLN 173.A OE1 no hydrogen 3.238 N/A GLN 171.A N GLU 177.A OE2 no hydrogen 3.004 N/A GLN 173.A N LEU 170.A O no hydrogen 2.837 N/A GLY 174.A N GLN 171.A O no hydrogen 3.131 N/A GLY 175.A N LEU 170.A O no hydrogen 2.780 N/A ASP 176.A N ILE 166.A O no hydrogen 3.373 N/A GLU 177.A N LYS 169.A O no hydrogen 2.998 N/A VAL 178.A N ALA 167.A O no hydrogen 2.865 N/A SER 180.A OG.A GLU 181.A OE1 no hydrogen 3.525 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.754 N/A ILE 182.A N PRO 179.A O no hydrogen 3.013 N/A ILE 183.A N SER 180.A O no hydrogen 3.387 N/A LYS 185.A N ILE 182.A O no hydrogen 2.808 N/A LYS 185.A NZ ASP 144.A OD2 no hydrogen 2.790 N/A ILE 186.A N ILE 183.A O no hydrogen 3.441 N/A ILE 187.A N PHE 146.A O no hydrogen 2.841 N/A TYR 188.A OH ASP 150.A OD2 no hydrogen 2.577 N/A MET 189.A N VAL 148.A O no hydrogen 2.802 N/A PHE 191.A N ASP 150.A O no hydrogen 2.794 N/A ASP 192.A N GLU 196.A OE1.A no hydrogen 2.849 N/A ASN 193.A ND2 GLU 196.A OE1.B no hydrogen 2.776 N/A GLU 196.A N ASN 193.A OD1 no hydrogen 2.914 N/A LEU 197.A N ASN 193.A O no hydrogen 3.210 N/A LEU 198.A N GLU 194.A O no hydrogen 3.015 N/A MET 199.A N LYS 195.A O no hydrogen 3.047 N/A GLU 200.A N GLU 196.A O no hydrogen 2.929 N/A TYR 201.A N LEU 197.A O no hydrogen 2.911 N/A TYR 201.A OH HIS 138.A ND1 no hydrogen 2.916 N/A LEU 202.A N LEU 198.A O no hydrogen 2.974 N/A ASN 203.A N MET 199.A O no hydrogen 3.107 N/A PHE 204.A N GLU 200.A O no hydrogen 2.831 N/A TRP 205.A N TYR 201.A O no hydrogen 2.752 N/A TRP 205.A NE1 LEU 242.A O no hydrogen 2.904 N/A GLN 206.A N LEU 202.A O no hydrogen 2.927 N/A GLN 206.A NE2.B LEU 202.A O no hydrogen 2.814 N/A GLN 206.A NE2.B ARG 241.A O no hydrogen 3.128 N/A GLN 207.A N ASN 203.A O no hydrogen 3.140 N/A LYS 208.A N PHE 204.A O no hydrogen 2.829 N/A LYS 208.A NZ ASP 143.A OD2 no hydrogen 2.638 N/A THR 209.A OG1 TRP 205.A O no hydrogen 2.784 N/A THR 209.A OG1 GLN 206.A O no hydrogen 3.185 N/A VAL 211.A N ARG 109.A O no hydrogen 2.867 N/A ILE 212.A N ARG 109.A O no hydrogen 3.099 N/A LEU 213.A N SER 269.A O no hydrogen 2.936 N/A THR 214.A N ALA 111.A O no hydrogen 2.807 N/A THR 214.A OG1 LEU 271.A O no hydrogen 2.585 N/A GLY 215.A N THR 214.A OG1 no hydrogen 2.684 N/A TRP 216.A NE1 TYR 288.A O no hydrogen 2.825 N/A GLU 219.A N ASP 272.A OD2 no hydrogen 3.025 N/A SER 220.A OG ASN 217.A OD1 no hydrogen 3.364 N/A PHE 221.A N ASN 217.A O no hydrogen 2.818 N/A ILE 223.A N VAL 218.A O no hydrogen 2.795 N/A TYR 225.A N PHE 221.A O no hydrogen 2.899 N/A TYR 225.A OH HIS 131.A O no hydrogen 2.606 N/A VAL 226.A N ALA 222.A O no hydrogen 2.962 N/A TYR 227.A N ILE 223.A O no hydrogen 2.939 N/A TYR 227.A OH THR 248.A OG1 no hydrogen 2.884 N/A ASN 228.A N PRO 224.A O no hydrogen 2.872 N/A ASN 228.A ND2 PRO 126.A O no hydrogen 2.896 N/A ARG 229.A N TYR 225.A O no hydrogen 2.828 N/A ARG 229.A NE GLU 194.A OE1 no hydrogen 2.745 N/A ARG 229.A NH1 ALA 129.A O no hydrogen 3.049 N/A ARG 229.A NH2 GLU 194.A OE2 no hydrogen 2.829 N/A ILE 230.A N VAL 226.A O no hydrogen 3.014 N/A LYS 231.A N TYR 227.A O no hydrogen 2.950 N/A ASN 232.A N ASN 228.A O no hydrogen 2.863 N/A ASN 232.A ND2 GLN 128.A O no hydrogen 2.757 N/A ASN 232.A ND2 ALA 129.A O no hydrogen 3.317 N/A ILE 233.A N ARG 229.A O no hydrogen 3.051 N/A PHE 234.A N ILE 230.A O no hydrogen 2.724 N/A GLY 235.A N LYS 231.A O no hydrogen 2.832 N/A ALA 239.A N GLY 235.A O no hydrogen 3.436 N/A LYS 240.A N GLU 236.A O no hydrogen 2.987 N/A LYS 240.A NZ.A TYR 227.A OH no hydrogen 3.482 N/A LYS 240.A NZ.A THR 248.A OG1 no hydrogen 2.748 N/A ARG 241.A N THR 238.A O no hydrogen 3.141 N/A ARG 241.A NE GLN 206.A OE1.A no hydrogen 2.660 N/A ARG 241.A NH2 GLN 206.A OE1.A no hydrogen 3.167 N/A LEU 242.A N ALA 239.A O no hydrogen 3.244 N/A SER 243.A N LYS 240.A O no hydrogen 3.012 N/A SER 243.A OG LYS 247.A O no hydrogen 3.074 N/A SER 243.A OG PHE 266.A O no hydrogen 2.709 N/A HIS 245.A N SER 243.A OG no hydrogen 3.172 N/A ARG 246.A N SER 243.A O no hydrogen 2.981 N/A ARG 246.A NH1 SER 243.A O no hydrogen 2.832 N/A LYS 247.A N SER 243.A OG no hydrogen 3.119 N/A THR 248.A OG1 TYR 227.A OH no hydrogen 2.884 N/A ARG 249.A N THR 264.A O no hydrogen 3.128 N/A LYS 251.A N ILE 262.A O no hydrogen 2.763 N/A ILE 253.A N ARG 260.A O no hydrogen 2.764 N/A ASN 255.A N GLY 258.A O no hydrogen 2.872 N/A TYR 257.A N ASN 255.A OD1 no hydrogen 2.778 N/A ARG 260.A N ILE 253.A O no hydrogen 3.005 N/A ILE 262.A N LYS 251.A O no hydrogen 2.896 N/A THR 264.A N ARG 249.A O no hydrogen 2.815 N/A PHE 266.A N LYS 247.A O no hydrogen 3.116 N/A GLY 267.A N GLU 9.A OE2 no hydrogen 2.933 N/A ILE 268.A N LEU 265.A O no hydrogen 3.205 N/A SER 269.A N VAL 211.A O no hydrogen 2.856 N/A SER 269.A OG GLN 356.A OE1 no hydrogen 2.641 N/A LEU 271.A N LEU 213.A O no hydrogen 2.805 N/A TYR 273.A N GLY 215.A O no hydrogen 2.914 N/A TYR 273.A OH ASP 335.A OD1 no hydrogen 2.528 N/A ILE 274.A N ASP 272.A OD1 no hydrogen 3.426 N/A ASP 275.A N ASP 272.A O no hydrogen 2.916 N/A LEU 276.A N ASP 272.A O no hydrogen 2.985 N/A TYR 277.A N TYR 273.A O no hydrogen 2.725 N/A TYR 277.A OH GLU 297.A OE2 no hydrogen 2.642 N/A LYS 278.A N ILE 274.A O no hydrogen 2.952 N/A LYS 279.A N ASP 275.A O no hydrogen 3.139 N/A PHE 280.A N LEU 276.A O no hydrogen 2.968 N/A SER 281.A N TYR 277.A O no hydrogen 2.961 N/A SER 281.A OG TYR 277.A O no hydrogen 2.839 N/A SER 281.A OG THR 283.A OG1 no hydrogen 2.753 N/A THR 283.A OG1 SER 281.A OG no hydrogen 2.753 N/A GLN 285.A N TYR 288.A OH no hydrogen 2.966 N/A GLN 285.A NE2 TYR 277.A OH no hydrogen 2.988 N/A SER 289.A N SER 287.A OG no hydrogen 3.209 N/A TYR 292.A N SER 289.A OG no hydrogen 3.067 N/A ILE 293.A N SER 289.A O no hydrogen 3.033 N/A SER 294.A N LEU 290.A O no hydrogen 2.777 N/A SER 294.A OG.A LEU 290.A O no hydrogen 2.775 N/A SER 294.A OG.B LEU 290.A O no hydrogen 2.844 N/A SER 294.A OG.B ASP 291.A O no hydrogen 3.067 N/A GLU 295.A N ASP 291.A O no hydrogen 3.147 N/A PHE 296.A N TYR 292.A O no hydrogen 2.994 N/A GLU 297.A N ILE 293.A O no hydrogen 2.819 N/A LEU 298.A N SER 294.A O no hydrogen 2.903 N/A ASN 299.A N GLU 295.A O no hydrogen 3.048 N/A LEU 303.A N ASP 291.A OD1 no hydrogen 3.444 N/A LYS 304.A NZ ASP 306.A OD2 no hydrogen 3.535 N/A LYS 311.A N PRO 308.A O no hydrogen 3.080 N/A LEU 312.A N ILE 309.A O no hydrogen 3.368 N/A ARG 313.A NH1 GLY 157.A O no hydrogen 2.726 N/A ARG 313.A NH2 LEU 151.A O no hydrogen 2.786 N/A ARG 313.A NH2 GLY 157.A O no hydrogen 3.011 N/A SER 315.A N LYS 311.A O no hydrogen 2.903 N/A SER 315.A OG LYS 311.A O no hydrogen 2.751 N/A SER 315.A OG LEU 312.A O no hydrogen 3.417 N/A ASN 316.A N LEU 312.A O no hydrogen 2.711 N/A HIS 317.A NE2 ASP 150.A OD1 no hydrogen 2.769 N/A GLN 318.A NE2 SER 163.A O no hydrogen 2.942 N/A GLN 318.A NE2 ASP 176.A OD2 no hydrogen 2.897 N/A ARG 319.A N ASN 316.A OD1 no hydrogen 3.243 N/A ARG 319.A NE ASP 176.A OD1 no hydrogen 3.172 N/A ARG 319.A NH2 ASP 176.A OD1 no hydrogen 3.337 N/A TYR 320.A N ASN 316.A O no hydrogen 2.939 N/A TYR 320.A OH ASP 134.A OD1 no hydrogen 2.706 N/A TYR 320.A OH ASP 134.A OD2 no hydrogen 3.403 N/A ILE 321.A N HIS 317.A O no hydrogen 3.007 N/A SER 322.A N GLN 318.A O no hydrogen 3.185 N/A SER 322.A OG ASP 176.A OD2 no hydrogen 2.642 N/A SER 322.A OG GLN 318.A O no hydrogen 3.431 N/A TYR 323.A N ARG 319.A O no hydrogen 2.894 N/A TYR 323.A OH LYS 304.A O no hydrogen 2.823 N/A ASN 324.A N TYR 320.A O no hydrogen 3.260 N/A ASN 324.A ND2 ASP 114.A O no hydrogen 3.440 N/A ASN 324.A ND2 GLU 116.A OE2 no hydrogen 3.086 N/A ILE 325.A N ILE 321.A O no hydrogen 3.029 N/A ILE 326.A N SER 322.A O no hydrogen 2.932 N/A ALA 327.A N TYR 323.A O no hydrogen 2.972 N/A VAL 328.A N ASN 324.A O no hydrogen 3.403 N/A TYR 329.A N ILE 325.A O no hydrogen 3.083 N/A TYR 329.A OH GLU 181.A OE2 no hydrogen 2.908 N/A ARG 330.A N.A ILE 326.A O no hydrogen 2.831 N/A ARG 330.A N.B ILE 326.A O no hydrogen 2.808 N/A ARG 330.A NH2.A GLY 301.A O no hydrogen 2.742 N/A LEU 332.A N VAL 328.A O no hydrogen 3.450 N/A GLN 333.A N TYR 329.A O no hydrogen 2.905 N/A ILE 334.A N ARG 330.A O.A no hydrogen 2.864 N/A ILE 334.A N ARG 330.A O.B no hydrogen 2.849 N/A ASP 335.A N VAL 331.A O no hydrogen 3.016 N/A ALA 336.A N LEU 332.A O no hydrogen 2.811 N/A LYS 337.A N GLN 333.A O no hydrogen 3.251 N/A LYS 337.A NZ GLU 297.A O no hydrogen 2.784 N/A LYS 337.A NZ GLU 297.A OE1 no hydrogen 3.052 N/A ARG 338.A N ILE 334.A O no hydrogen 2.761 N/A ARG 338.A NE GLU 297.A OE1 no hydrogen 2.808 N/A ARG 338.A NE GLU 297.A OE2 no hydrogen 3.381 N/A ARG 338.A NH1 SER 281.A O no hydrogen 3.268 N/A ARG 338.A NH2 GLU 297.A OE2 no hydrogen 2.754 N/A GLN 339.A N ASP 335.A O no hydrogen 2.806 N/A ILE 341.A N ASP 335.A OD1 no hydrogen 3.182 N/A LEU 343.A N GLN 339.A O no hydrogen 3.164 N/A SER 344.A N PHE 340.A O no hydrogen 2.999 N/A SER 344.A OG PHE 340.A O no hydrogen 2.792 N/A LEU 345.A N ILE 341.A O no hydrogen 2.908 N/A ASP 346.A N ASN 342.A O no hydrogen 2.882 N/A MET 347.A N LEU 343.A O no hydrogen 2.957 N/A GLY 348.A N SER 344.A O no hydrogen 2.878 N/A TYR 349.A N LEU 345.A O no hydrogen 2.983 N/A TYR 349.A OH TYR 5.A O no hydrogen 2.610 N/A TYR 350.A N ASP 346.A O no hydrogen 3.088 N/A ALA 351.A N MET 347.A O no hydrogen 3.046 N/A LYS 352.A NZ TYR 97.A O no hydrogen 2.938 N/A LYS 352.A NZ TYR 99.A O no hydrogen 2.949 N/A ILE 353.A N GLY 348.A O no hydrogen 3.124 N/A GLN 356.A N GLN 356.A OE1 no hydrogen 2.811 N/A SER 357.A N GLN 354.A O no hydrogen 2.877 N/A VAL 358.A N ILE 355.A O no hydrogen 3.108 N/A PHE 359.A N GLN 356.A O no hydrogen 3.473 N/A SER 360.A N SER 357.A O no hydrogen 2.904 N/A LYS 363.A N SER 360.A OG no hydrogen 3.162 N/A LYS 363.A NZ ASP 87.A OD2 no hydrogen 2.598 N/A THR 364.A N SER 360.A O no hydrogen 2.916 N/A THR 364.A OG1 SER 357.A O no hydrogen 3.412 N/A THR 364.A OG1 SER 360.A O no hydrogen 2.943 N/A TRP 365.A N PRO 361.A O no hydrogen 2.839 N/A TRP 365.A NE1 LEU 562.A O no hydrogen 2.707 N/A ASP 366.A N ILE 362.A O no hydrogen 2.865 N/A ALA 367.A N LYS 363.A O no hydrogen 3.221 N/A ILE 368.A N THR 364.A O no hydrogen 3.110 N/A ILE 369.A N TRP 365.A O no hydrogen 2.962 N/A PHE 370.A N ASP 366.A O no hydrogen 3.016 N/A ASN 371.A N ALA 367.A O no hydrogen 2.994 N/A ASN 371.A ND2 ALA 367.A O no hydrogen 2.884 N/A SER 372.A N ILE 368.A O no hydrogen 3.088 N/A SER 372.A OG GLU 474.A OE1 no hydrogen 2.713 N/A LEU 373.A N ILE 369.A O no hydrogen 2.906 N/A LYS 374.A N PHE 370.A O no hydrogen 2.952 N/A LYS 374.A NZ SER 94.A O no hydrogen 3.536 N/A LYS 374.A NZ SER 94.A OG no hydrogen 2.995 N/A GLU 375.A N ASN 371.A O no hydrogen 3.344 N/A GLN 376.A N LEU 373.A O no hydrogen 2.909 N/A ASN 377.A N LYS 374.A O no hydrogen 2.832 N/A LYS 378.A N LEU 373.A O no hydrogen 2.959 N/A VAL 379.A N PHE 50.A O no hydrogen 2.883 N/A GLN 382.A N GLU 81.A OE2 no hydrogen 3.072 N/A ARG 384.A NH1 GLU 81.A OE2 no hydrogen 3.048 N/A LYS 397.A N GLY 620.A O no hydrogen 2.860 N/A LYS 397.A NZ GLU 598.A OE2 no hydrogen 2.923 N/A ASN 402.A N TRP 702.A O no hydrogen 3.219 N/A ARG 403.A N ASN 402.A OD1 no hydrogen 2.769 N/A ARG 403.A NE ALA 887.A O no hydrogen 2.850 N/A ARG 403.A NH2 ALA 887.A O no hydrogen 3.188 N/A ARG 403.A NH2 LYS 888.A O no hydrogen 2.861 N/A TYR 404.A N GLY 700.A O no hydrogen 2.803 N/A TYR 404.A OH ILE 400.A O no hydrogen 2.567 N/A LYS 405.A NZ GLU 638.A OE1 no hydrogen 3.171 N/A LYS 405.A NZ GLU 638.A OE2 no hydrogen 3.487 N/A TYR 406.A N ASP 630.A OD1 no hydrogen 2.892 N/A TYR 406.A OH GLU 638.A OE1 no hydrogen 2.592 N/A VAL 407.A N ALA 689.A O no hydrogen 3.013 N/A MET 408.A N VAL 627.A O no hydrogen 2.924 N/A SER 409.A N ALA 687.A O no hydrogen 2.914 N/A PHE 410.A N ILE 625.A O no hydrogen 2.883 N/A ASP 411.A N ASP 684.A O no hydrogen 3.021 N/A LEU 412.A N ASP 623.A O no hydrogen 2.937 N/A THR 413.A N PHE 682.A O no hydrogen 2.977 N/A THR 413.A OG1 PHE 682.A O no hydrogen 3.309 N/A SER 418.A N SER 414.A O no hydrogen 2.828 N/A SER 418.A OG THR 413.A O no hydrogen 3.044 N/A SER 418.A OG SER 414.A O no hydrogen 2.742 N/A ILE 419.A N LEU 415.A O no hydrogen 2.804 N/A ILE 420.A N TYR 416.A O no hydrogen 3.003 N/A ARG 421.A N PRO 417.A O no hydrogen 3.067 N/A GLN 422.A N SER 418.A O no hydrogen 2.860 N/A GLN 422.A NE2 ASN 676.A OD1 no hydrogen 2.982 N/A VAL 423.A N ILE 419.A O no hydrogen 2.868 N/A ASN 424.A ND2 TYR 464.A O no hydrogen 2.842 N/A ASN 424.A ND2 ARG 467.A O no hydrogen 2.931 N/A ILE 425.A N ILE 420.A O no hydrogen 2.925 N/A SER 426.A OG GLU 428.A OE1 no hydrogen 2.752 N/A GLU 428.A N GLU 428.A OE1 no hydrogen 2.553 N/A THR 429.A N SER 426.A O no hydrogen 3.323 N/A THR 429.A OG1 ASN 424.A O no hydrogen 2.726 N/A THR 429.A OG1 SER 426.A O no hydrogen 3.104 N/A ALA 431.A N MET 462.A O no hydrogen 2.810 N/A PHE 434.A N GLY 460.A O no hydrogen 2.816 N/A ALA 437.A N TYR 442.A OH no hydrogen 3.027 N/A ASP 441.A N PRO 438.A O no hydrogen 2.819 N/A ILE 443.A N LEU 439.A O no hydrogen 2.930 N/A ASN 444.A N HIS 440.A O no hydrogen 3.059 N/A ASN 444.A ND2 HIS 440.A O no hydrogen 2.867 N/A ALA 445.A N TYR 442.A O no hydrogen 3.066 N/A VAL 446.A N ASP 441.A O no hydrogen 2.867 N/A ALA 447.A N ASP 441.A O no hydrogen 3.195 N/A ARG 449.A NE GLU 672.A O no hydrogen 3.034 N/A ARG 449.A NH2 GLU 672.A O no hydrogen 2.830 N/A VAL 453.A N SER 451.A OG no hydrogen 2.961 N/A TYR 454.A N SER 451.A OG no hydrogen 2.837 N/A SER 455.A N TYR 463.A O no hydrogen 2.905 N/A SER 455.A OG VAL 423.A O no hydrogen 2.701 N/A CYS 456.A N MET 674.A O no hydrogen 2.899 N/A CYS 456.A SG TYR 454.A O no hydrogen 3.576 N/A SER 457.A N MET 461.A O no hydrogen 3.124 N/A SER 457.A OG.A ASN 459.A OD1 no hydrogen 3.127 N/A SER 457.A OG.A ALA 585.A O no hydrogen 2.662 N/A SER 457.A OG.B ASN 459.A OD1 no hydrogen 2.709 N/A ASN 459.A ND2 ARG 581.A O no hydrogen 3.068 N/A ASN 459.A ND2 THR 584.A OG1.B no hydrogen 3.085 N/A GLY 460.A N SER 457.A O no hydrogen 2.956 N/A MET 461.A N ASN 459.A OD1 no hydrogen 3.249 N/A MET 462.A N GLY 432.A O no hydrogen 2.826 N/A TYR 463.A N SER 455.A O no hydrogen 2.721 N/A TYR 463.A OH ASN 582.A OD1 no hydrogen 2.826 N/A TYR 464.A N THR 429.A O no hydrogen 2.850 N/A LYS 465.A NZ ASN 675.A O no hydrogen 2.959 N/A LYS 465.A NZ ASN 675.A OD1 no hydrogen 2.849 N/A LYS 465.A NZ ASN 676.A O no hydrogen 3.189 N/A GLY 469.A N ASN 424.A OD1 no hydrogen 2.984 N/A VAL 470.A N GLU 428.A OE2 no hydrogen 2.712 N/A VAL 471.A N SER 426.A OG no hydrogen 3.116 N/A THR 473.A N GLY 469.A O no hydrogen 3.037 N/A THR 473.A OG1 GLY 469.A O no hydrogen 2.980 N/A GLU 474.A N VAL 470.A O no hydrogen 2.951 N/A ILE 475.A N VAL 471.A O no hydrogen 2.908 N/A THR 476.A N PRO 472.A O no hydrogen 3.074 N/A THR 476.A OG1 PRO 472.A O no hydrogen 2.614 N/A LYS 477.A NZ GLU 474.A OE1 no hydrogen 2.810 N/A VAL 478.A N GLU 474.A O no hydrogen 3.493 N/A PHE 479.A N ILE 475.A O no hydrogen 2.917 N/A ASN 480.A N THR 476.A O no hydrogen 2.939 N/A GLN 481.A N LYS 477.A O no hydrogen 3.294 N/A GLN 481.A NE2 LYS 477.A O no hydrogen 3.680 N/A ARG 482.A N VAL 478.A O no hydrogen 2.911 N/A ARG 482.A NE GLN 556.A OE1 no hydrogen 2.929 N/A ARG 482.A NH2 GLN 556.A OE1 no hydrogen 3.032 N/A LYS 483.A N PHE 479.A O no hydrogen 2.937 N/A GLU 484.A N ASN 480.A O no hydrogen 3.205 N/A HIS 485.A N GLN 481.A O no hydrogen 3.270 N/A LYS 486.A N ARG 482.A O no hydrogen 2.939 N/A LYS 486.A NZ GLU 716.A OE1 no hydrogen 2.905 N/A GLY 487.A N LYS 483.A O no hydrogen 3.165 N/A TYR 488.A N GLU 484.A O no hydrogen 3.324 N/A TYR 488.A OH GLU 484.A OE2 no hydrogen 2.597 N/A MET 489.A N HIS 485.A O no hydrogen 2.949 N/A LEU 490.A N LYS 486.A O no hydrogen 2.892 N/A ALA 491.A N GLY 487.A O no hydrogen 3.045 N/A ALA 492.A N TYR 488.A O no hydrogen 3.050 N/A GLN 493.A N MET 489.A O no hydrogen 3.092 N/A GLN 493.A NE2 GLU 549.A OE2 no hydrogen 3.084 N/A ARG 494.A N LEU 490.A O no hydrogen 2.886 N/A ARG 494.A NE ASP 521.A OD1 no hydrogen 2.882 N/A ARG 494.A NH2 ASP 521.A OD1 no hydrogen 3.432 N/A ARG 494.A NH2 ASP 521.A OD2 no hydrogen 2.814 N/A ASN 495.A N ALA 491.A O no hydrogen 2.796 N/A ASN 495.A ND2 TYR 518.A O no hydrogen 2.996 N/A ASN 495.A ND2 PHE 520.A O no hydrogen 2.848 N/A GLY 496.A N ALA 492.A O no hydrogen 2.912 N/A GLU 497.A N GLN 493.A O no hydrogen 3.134 N/A ILE 498.A N ARG 494.A O no hydrogen 3.162 N/A ILE 499.A N ASN 495.A O no hydrogen 3.243 N/A LYS 500.A N GLY 496.A O no hydrogen 3.034 N/A LYS 500.A NZ GLU 497.A OE2 no hydrogen 2.897 N/A GLU 501.A N GLU 497.A O no hydrogen 3.019 N/A ALA 502.A N ILE 498.A O no hydrogen 3.141 N/A LEU 503.A N ILE 499.A O no hydrogen 2.922 N/A HIS 504.A N GLU 501.A O no hydrogen 3.122 N/A ASN 505.A N ALA 502.A O no hydrogen 2.946 N/A ASN 507.A N LEU 533.A O no hydrogen 3.078 N/A SER 509.A OG ASP 511.A OD2 no hydrogen 2.992 N/A ARG 519.A N ASP 517.A OD2 no hydrogen 3.077 N/A ARG 519.A NE ASP 517.A OD1 no hydrogen 3.267 N/A ARG 519.A NE ASP 517.A OD2 no hydrogen 3.034 N/A ARG 519.A NH2 ASP 517.A OD1 no hydrogen 2.820 N/A PHE 520.A N ASP 517.A O no hydrogen 3.262 N/A PHE 522.A N ASN 495.A OD1 no hydrogen 2.901 N/A ILE 526.A N SER 523.A OG no hydrogen 3.341 N/A LYS 527.A N SER 523.A O no hydrogen 2.920 N/A GLU 528.A N ASP 524.A O no hydrogen 2.970 N/A LYS 529.A N GLU 525.A O no hydrogen 3.204 N/A LYS 529.A NZ GLU 525.A OE2 no hydrogen 3.487 N/A ILE 530.A N ILE 526.A O no hydrogen 2.997 N/A LYS 531.A N LYS 527.A O no hydrogen 3.291 N/A LYS 532.A N LYS 529.A O no hydrogen 2.958 N/A LEU 533.A N ILE 530.A O no hydrogen 3.134 N/A SER 534.A N ASP 511.A OD1 no hydrogen 3.469 N/A SER 534.A N ASP 511.A OD2 no hydrogen 3.065 N/A SER 534.A OG ASP 511.A OD1 no hydrogen 2.710 N/A LYS 536.A NZ GLU 540.A OE1 no hydrogen 3.008 N/A SER 537.A N SER 534.A OG no hydrogen 3.302 N/A SER 537.A OG ASP 511.A OD1 no hydrogen 2.837 N/A LEU 538.A N SER 534.A O no hydrogen 2.937 N/A ASN 539.A N ALA 535.A O no hydrogen 2.859 N/A GLU 540.A N LYS 536.A O no hydrogen 3.025 N/A MET 541.A N SER 537.A O no hydrogen 2.902 N/A LEU 542.A N LEU 538.A O no hydrogen 2.785 N/A PHE 543.A N ASN 539.A O no hydrogen 3.026 N/A ARG 544.A N GLU 540.A O no hydrogen 3.166 N/A ALA 545.A N MET 541.A O no hydrogen 2.876 N/A GLN 546.A N LEU 542.A O no hydrogen 2.895 N/A ARG 547.A N PHE 543.A O no hydrogen 2.917 N/A THR 548.A N ARG 544.A O no hydrogen 2.947 N/A THR 548.A OG1 ARG 544.A O no hydrogen 2.888 N/A GLU 549.A N ALA 545.A O no hydrogen 2.929 N/A VAL 550.A N GLN 546.A O no hydrogen 3.017 N/A ALA 551.A N ARG 547.A O no hydrogen 2.925 N/A GLY 552.A N THR 548.A O no hydrogen 2.918 N/A MET 553.A N GLU 549.A O no hydrogen 2.806 N/A THR 554.A N VAL 550.A O no hydrogen 2.938 N/A THR 554.A OG1 ARG 338.A O no hydrogen 2.696 N/A THR 554.A OG1 VAL 550.A O no hydrogen 3.430 N/A ALA 555.A N ALA 551.A O no hydrogen 3.202 N/A GLN 556.A N GLY 552.A O no hydrogen 2.874 N/A ILE 557.A N MET 553.A O no hydrogen 2.841 N/A ASN 558.A N THR 554.A O no hydrogen 3.410 N/A ASN 558.A ND2 PHE 280.A O no hydrogen 3.321 N/A ASN 558.A ND2 THR 554.A O no hydrogen 2.963 N/A ARG 559.A NE GLN 481.A OE1 no hydrogen 3.372 N/A ARG 559.A NH1 ALA 555.A O no hydrogen 2.894 N/A ARG 559.A NH2 ASP 346.A OD2 no hydrogen 3.276 N/A LYS 560.A N GLN 556.A O no hydrogen 2.926 N/A LEU 561.A N ILE 557.A O no hydrogen 2.836 N/A LEU 562.A N ASN 558.A O no hydrogen 2.890 N/A ILE 563.A N ARG 559.A O no hydrogen 3.039 N/A ASN 564.A N LYS 560.A O no hydrogen 2.979 N/A SER 565.A N LEU 561.A O no hydrogen 2.930 N/A SER 565.A OG LEU 561.A O no hydrogen 2.645 N/A LEU 566.A N ILE 563.A O no hydrogen 3.176 N/A GLY 568.A N ASN 564.A O no hydrogen 3.099 N/A ALA 569.A N SER 565.A O no hydrogen 2.642 N/A LEU 570.A N LEU 566.A O no hydrogen 3.245 N/A GLY 571.A N GLY 568.A O no hydrogen 2.832 N/A ASN 572.A N ALA 569.A O no hydrogen 2.874 N/A TRP 574.A N ASN 572.A OD1 no hydrogen 2.846 N/A PHE 575.A N ASN 572.A O no hydrogen 3.017 N/A ARG 576.A NE ASP 366.A OD1 no hydrogen 2.707 N/A ARG 576.A NE ASP 366.A OD2 no hydrogen 3.434 N/A ARG 576.A NH1 ASP 86.A OD2 no hydrogen 3.538 N/A ARG 576.A NH1 PRO 381.A O no hydrogen 2.946 N/A ARG 576.A NH2 ASP 86.A OD2 no hydrogen 2.987 N/A ARG 576.A NH2 ASP 366.A OD2 no hydrogen 3.001 N/A TYR 578.A N PHE 575.A O no hydrogen 3.082 N/A ASP 579.A N LEU 570.A O no hydrogen 2.976 N/A ARG 581.A N ASP 579.A OD2 no hydrogen 3.032 N/A ARG 581.A NE ASP 579.A OD1 no hydrogen 3.352 N/A ARG 581.A NE ASP 579.A OD2 no hydrogen 3.089 N/A ARG 581.A NH2 ASP 579.A OD1 no hydrogen 2.881 N/A ALA 583.A N ASP 579.A O no hydrogen 2.954 N/A THR 584.A N LEU 580.A O no hydrogen 2.817 N/A THR 584.A OG1.A LEU 580.A O no hydrogen 2.701 N/A THR 584.A OG1.B LEU 580.A O no hydrogen 2.599 N/A THR 584.A OG1.B ARG 581.A O no hydrogen 3.313 N/A ALA 585.A N ARG 581.A O no hydrogen 3.003 N/A ILE 586.A N ASN 582.A O no hydrogen 3.204 N/A THR 587.A N ALA 583.A O no hydrogen 3.328 N/A THR 587.A OG1 PRO 392.A O no hydrogen 2.743 N/A THR 587.A OG1 THR 584.A O no hydrogen 3.479 N/A THR 588.A N THR 584.A O no hydrogen 2.943 N/A THR 588.A OG1 THR 584.A O no hydrogen 2.770 N/A PHE 589.A N ALA 585.A O no hydrogen 3.202 N/A GLY 590.A N ILE 586.A O no hydrogen 3.045 N/A GLN 591.A N THR 587.A O no hydrogen 3.078 N/A GLN 591.A NE2 GLY 393.A O no hydrogen 2.722 N/A MET 592.A N THR 588.A O no hydrogen 3.131 N/A ALA 593.A N PHE 589.A O no hydrogen 2.862 N/A LEU 594.A N GLY 590.A O no hydrogen 3.068 N/A GLN 595.A N GLN 591.A O no hydrogen 3.222 N/A GLN 595.A NE2 GLN 591.A O no hydrogen 3.049 N/A TRP 596.A N MET 592.A O no hydrogen 2.667 N/A TRP 596.A NE1 GLY 666.A O no hydrogen 2.848 N/A ILE 597.A N ALA 593.A O no hydrogen 3.074 N/A GLU 598.A N LEU 594.A O no hydrogen 2.937 N/A ARG 599.A N GLN 595.A O no hydrogen 3.317 N/A ARG 599.A NE ILE 443.A O no hydrogen 2.939 N/A ARG 599.A NH1 GLU 603.A OE2 no hydrogen 3.013 N/A ARG 599.A NH2 ILE 443.A O no hydrogen 3.156 N/A LYS 600.A N TRP 596.A O no hydrogen 3.110 N/A LYS 600.A NZ GLU 669.A OE1 no hydrogen 3.270 N/A LYS 600.A NZ GLU 669.A OE2 no hydrogen 3.094 N/A VAL 601.A N ILE 597.A O no hydrogen 2.923 N/A ASN 602.A N GLU 598.A O no hydrogen 2.997 N/A GLU 603.A N ARG 599.A O no hydrogen 2.869 N/A TYR 604.A N LYS 600.A O no hydrogen 2.888 N/A LEU 605.A N VAL 601.A O no hydrogen 2.937 N/A ASN 606.A N ASN 602.A O no hydrogen 3.127 N/A ASN 606.A ND2 ASN 602.A O no hydrogen 2.681 N/A ASN 606.A ND2 GLU 614.A O no hydrogen 2.882 N/A GLU 607.A N GLU 603.A O no hydrogen 3.201 N/A VAL 608.A N TYR 604.A O no hydrogen 2.995 N/A CYS 609.A N LEU 605.A O no hydrogen 2.876 N/A GLY 610.A N GLU 607.A O no hydrogen 3.280 N/A THR 611.A N ASN 606.A O no hydrogen 2.728 N/A THR 611.A OG1 ASN 606.A OD1 no hydrogen 2.927 N/A GLU 614.A N ASN 606.A OD1 no hydrogen 3.251 N/A PHE 616.A N ASN 602.A OD1 no hydrogen 2.923 N/A VAL 617.A N ASN 602.A OD1 no hydrogen 3.023 N/A LEU 618.A N TYR 626.A O no hydrogen 2.874 N/A THR 622.A N PHE 395.A O no hydrogen 2.902 N/A THR 622.A OG1 ASP 621.A OD1 no hydrogen 2.810 N/A ASP 623.A N ASP 621.A O no hydrogen 2.738 N/A SER 624.A OG ASP 621.A O no hydrogen 3.335 N/A ILE 625.A N PHE 410.A O no hydrogen 2.825 N/A TYR 626.A N TYR 619.A O no hydrogen 2.837 N/A VAL 627.A N MET 408.A O no hydrogen 2.726 N/A SER 628.A N PHE 616.A O no hydrogen 2.852 N/A ALA 629.A N TYR 406.A O no hydrogen 2.788 N/A LYS 631.A NZ GLU 614.A OE2 no hydrogen 2.746 N/A ILE 633.A N ALA 629.A O no hydrogen 3.038 N/A ASP 634.A N ASP 630.A O no hydrogen 2.865 N/A LYS 635.A N LYS 631.A O no hydrogen 2.941 N/A LYS 635.A N ILE 632.A O no hydrogen 3.261 N/A VAL 636.A N ILE 633.A O no hydrogen 3.293 N/A GLY 637.A N ILE 633.A O no hydrogen 2.963 N/A LYS 640.A N GLY 637.A O no hydrogen 3.178 N/A PHE 641.A N GLU 638.A O no hydrogen 3.328 N/A ARG 642.A N HIS 646.A ND1 no hydrogen 3.113 N/A HIS 646.A N ASP 643.A O no hydrogen 3.170 N/A HIS 646.A N ASP 643.A OD1 no hydrogen 3.008 N/A VAL 648.A N THR 644.A O no hydrogen 3.116 N/A ASP 649.A N ASN 645.A O no hydrogen 2.993 N/A PHE 650.A N HIS 646.A O no hydrogen 3.119 N/A LEU 651.A N TRP 647.A O no hydrogen 2.980 N/A ASP 652.A N VAL 648.A O no hydrogen 2.926 N/A LYS 653.A N ASP 649.A O no hydrogen 2.858 N/A PHE 654.A N PHE 650.A O no hydrogen 2.817 N/A ALA 655.A N LEU 651.A O no hydrogen 2.776 N/A ARG 656.A N ASP 652.A O no hydrogen 3.040 N/A ARG 656.A NH1 ASP 652.A OD1 no hydrogen 3.365 N/A ARG 656.A NH1 ASP 652.A OD2 no hydrogen 3.077 N/A ARG 656.A NH2 ASP 652.A OD2 no hydrogen 3.283 N/A GLU 657.A N LYS 653.A O no hydrogen 2.846 N/A ARG 658.A N PHE 654.A O no hydrogen 3.035 N/A MET 659.A N PHE 654.A O no hydrogen 3.227 N/A GLU 660.A N ALA 655.A O no hydrogen 2.911 N/A ALA 662.A N ARG 658.A O no hydrogen 3.379 N/A ILE 663.A N MET 659.A O no hydrogen 2.797 N/A ASP 664.A N GLU 660.A O no hydrogen 2.859 N/A ARG 665.A N PRO 661.A O no hydrogen 3.017 N/A GLY 666.A N ALA 662.A O no hydrogen 3.026 N/A PHE 667.A N ILE 663.A O no hydrogen 2.946 N/A ARG 668.A N ASP 664.A O no hydrogen 2.902 N/A ARG 668.A NE.B ASP 664.A OD2.B no hydrogen 3.005 N/A GLU 669.A N ARG 665.A O no hydrogen 3.124 N/A MET 670.A N GLY 666.A O no hydrogen 3.279 N/A CYS 671.A N PHE 667.A O no hydrogen 2.873 N/A GLU 672.A N ARG 668.A O no hydrogen 3.157 N/A TYR 673.A N GLU 669.A O no hydrogen 2.950 N/A TYR 673.A OH ALA 447.A O no hydrogen 2.646 N/A MET 674.A N MET 670.A O no hydrogen 2.986 N/A ASN 675.A N GLU 672.A O no hydrogen 3.096 N/A ASN 675.A ND2 TYR 454.A O no hydrogen 2.911 N/A ASN 676.A N CYS 671.A O no hydrogen 2.909 N/A ASN 676.A ND2 SER 455.A OG no hydrogen 3.001 N/A ASN 676.A ND2 CYS 456.A O no hydrogen 3.066 N/A LYS 677.A N GLN 422.A O no hydrogen 2.944 N/A LYS 677.A NZ ASP 468.A OD1 no hydrogen 3.087 N/A HIS 679.A NE2 ASP 664.A OD1.B no hydrogen 3.079 N/A LEU 680.A N GLN 422.A OE1 no hydrogen 2.758 N/A ASP 684.A N ASP 411.A O no hydrogen 3.174 N/A ARG 685.A N GLU 660.A OE2 no hydrogen 2.980 N/A ARG 685.A NH1 GLU 686.A O no hydrogen 2.946 N/A ARG 685.A NH1 ASP 714.A OD1 no hydrogen 2.701 N/A ARG 685.A NH2 ASP 652.A OD1 no hydrogen 2.620 N/A ARG 685.A NH2 ASP 714.A OD1 no hydrogen 3.016 N/A GLU 686.A N SER 409.A O no hydrogen 2.759 N/A ALA 687.A N SER 409.A OG no hydrogen 2.781 N/A ILE 688.A N ASP 714.A O no hydrogen 3.100 N/A ALA 689.A N VAL 407.A O no hydrogen 2.715 N/A GLY 690.A N ASN 711.A O no hydrogen 3.001 N/A LEU 693.A N THR 644.A OG1 no hydrogen 2.792 N/A SER 695.A N PRO 692.A O no hydrogen 3.177 N/A SER 695.A OG PRO 692.A O no hydrogen 2.593 N/A SER 695.A OG GLN 754.A O no hydrogen 3.420 N/A ILE 698.A N MET 752.A O no hydrogen 2.965 N/A GLY 699.A N LEU 753.A O no hydrogen 3.135 N/A PHE 701.A N ALA 709.A O no hydrogen 2.980 N/A TRP 702.A N ASN 402.A O no hydrogen 3.074 N/A THR 703.A N ARG 707.A O no hydrogen 3.026 N/A LYS 705.A NZ VAL 396.A O no hydrogen 3.290 N/A LYS 706.A N TYR 619.A OH no hydrogen 2.875 N/A LYS 706.A NZ ASP 621.A OD1 no hydrogen 3.371 N/A LYS 706.A NZ ASP 621.A OD2 no hydrogen 2.678 N/A ARG 707.A N GLY 704.A O no hydrogen 3.303 N/A ARG 707.A NE THR 703.A OG1 no hydrogen 3.030 N/A ARG 707.A NH1 GLU 731.A OE2 no hydrogen 3.496 N/A ARG 707.A NH2 GLU 731.A OE1 no hydrogen 2.923 N/A TYR 708.A N MET 728.A O no hydrogen 3.010 N/A TYR 708.A OH TYR 626.A OH no hydrogen 2.646 N/A ALA 709.A N PHE 701.A O no hydrogen 2.961 N/A LEU 710.A N LYS 726.A O no hydrogen 2.794 N/A ASN 711.A N GLY 699.A O no hydrogen 2.958 N/A ASN 711.A ND2 GLY 690.A O no hydrogen 2.799 N/A VAL 712.A N LYS 724.A O no hydrogen 2.845 N/A TRP 713.A N ILE 688.A O no hydrogen 3.029 N/A TRP 713.A NE1 GLY 690.A O no hydrogen 2.703 N/A MET 715.A N THR 718.A O no hydrogen 2.977 N/A GLU 716.A N GLU 686.A O no hydrogen 2.843 N/A GLY 717.A N ASP 714.A OD1 no hydrogen 3.144 N/A THR 718.A N MET 715.A O no hydrogen 2.887 N/A THR 718.A OG1 GLN 493.A OE1 no hydrogen 2.652 N/A ARG 719.A NE ASP 714.A OD2 no hydrogen 2.741 N/A ARG 719.A NH1 ASN 645.A OD1 no hydrogen 2.730 N/A ARG 719.A NH1 ASP 649.A OD1 no hydrogen 2.807 N/A ARG 719.A NH2 ASP 649.A OD1 no hydrogen 3.094 N/A TYR 720.A N TRP 713.A O no hydrogen 3.069 N/A ALA 721.A N GLU 497.A OE1 no hydrogen 2.836 N/A LYS 724.A N VAL 712.A O no hydrogen 2.852 N/A LYS 726.A N LEU 710.A O no hydrogen 2.763 N/A MET 728.A N TYR 708.A O no hydrogen 2.883 N/A GLU 731.A N GLU 731.A OE1 no hydrogen 2.797 N/A THR 732.A OG1 GLN 733.A OE1 no hydrogen 2.578 N/A GLN 733.A N LEU 730.A O no hydrogen 2.780 N/A LYS 734.A N GLU 731.A O no hydrogen 3.272 N/A THR 737.A N LYS 734.A O no hydrogen 3.159 N/A THR 737.A OG1 GLU 731.A O no hydrogen 3.004 N/A LYS 739.A NZ TYR 292.A OH no hydrogen 2.741 N/A ALA 740.A N SER 778.A O no hydrogen 2.788 N/A GLN 742.A N PRO 738.A O no hydrogen 2.873 N/A GLN 742.A NE2 LYS 734.A O no hydrogen 2.742 N/A LYS 743.A N LYS 739.A O no hydrogen 3.312 N/A ALA 744.A N ALA 740.A O no hydrogen 2.966 N/A LEU 745.A N VAL 741.A O no hydrogen 2.762 N/A LYS 746.A N GLN 742.A O no hydrogen 2.897 N/A GLU 747.A N LYS 743.A O no hydrogen 3.113 N/A CYS 748.A N ALA 744.A O no hydrogen 3.051 N/A CYS 748.A SG ALA 744.A O no hydrogen 3.390 N/A ILE 749.A N LEU 745.A O no hydrogen 2.956 N/A ARG 750.A N LYS 746.A O no hydrogen 2.789 N/A ARG 750.A NE GLU 747.A OE1 no hydrogen 3.369 N/A ARG 750.A NE GLU 747.A OE2 no hydrogen 2.871 N/A ARG 750.A NH1 GLN 754.A OE1 no hydrogen 2.972 N/A ARG 750.A NH1 GLU 755.A OE1 no hydrogen 2.926 N/A ARG 750.A NH2 GLU 747.A OE1 no hydrogen 2.743 N/A ARG 750.A NH2 GLU 755.A OE1 no hydrogen 3.123 N/A ARG 751.A N GLU 747.A O no hydrogen 2.912 N/A ARG 751.A NE GLU 747.A OE1 no hydrogen 2.904 N/A ARG 751.A NH1 SER 759.A O no hydrogen 3.052 N/A ARG 751.A NH1 GLU 762.A OE1 no hydrogen 3.193 N/A MET 752.A N CYS 748.A O no hydrogen 2.895 N/A LEU 753.A N ILE 749.A O no hydrogen 2.910 N/A GLN 754.A N ARG 750.A O no hydrogen 2.852 N/A GLN 754.A NE2 ASN 711.A OD1 no hydrogen 2.796 N/A GLU 755.A N ARG 751.A O no hydrogen 2.852 N/A GLY 756.A N ARG 751.A O no hydrogen 2.631 N/A SER 759.A OG GLU 755.A OE2 no hydrogen 2.478 N/A LEU 760.A N GLY 756.A O no hydrogen 3.199 N/A GLN 761.A N GLU 757.A O no hydrogen 2.999 N/A GLU 762.A N GLU 758.A O no hydrogen 3.002 N/A TYR 763.A N SER 759.A O no hydrogen 3.164 N/A PHE 764.A N LEU 760.A O no hydrogen 2.925 N/A LYS 765.A N GLN 761.A O no hydrogen 3.174 N/A GLU 766.A N GLU 762.A O no hydrogen 3.393 N/A PHE 767.A N TYR 763.A O no hydrogen 2.995 N/A GLU 768.A N PHE 764.A O no hydrogen 3.040 N/A LYS 769.A N LYS 765.A O no hydrogen 3.269 N/A GLU 770.A N GLU 766.A O no hydrogen 3.032 N/A ARG 772.A NH1.B GLU 768.A O no hydrogen 3.282 N/A GLN 773.A N GLU 770.A O no hydrogen 3.053 N/A LEU 774.A N PHE 771.A O no hydrogen 3.026 N/A TYR 776.A OH GLU 853.A OE1 no hydrogen 2.726 N/A ILE 777.A N ASN 775.A OD1 no hydrogen 3.007 N/A SER 778.A OG ASN 775.A O no hydrogen 2.672 N/A ILE 779.A N TYR 776.A O no hydrogen 3.339 N/A ALA 780.A N ILE 777.A O no hydrogen 3.289 N/A SER 781.A N VAL 832.A O no hydrogen 2.925 N/A VAL 782.A N SER 736.A O no hydrogen 3.064 N/A SER 783.A N VAL 830.A O no hydrogen 3.023 N/A SER 783.A OG SER 784.A O no hydrogen 2.984 N/A ALA 785.A N GLU 828.A O no hydrogen 2.808 N/A ASN 787.A N GLU 826.A OE1 no hydrogen 2.804 N/A ILE 788.A N GLU 826.A OE2 no hydrogen 3.039 N/A ASP 792.A N ALA 789.A O no hydrogen 3.032 N/A VAL 793.A N PHE 796.A O no hydrogen 2.763 N/A GLY 795.A N ASP 792.A OD1 no hydrogen 2.782 N/A PHE 796.A N VAL 793.A O no hydrogen 3.117 N/A GLY 798.A N TYR 791.A O no hydrogen 2.795 N/A CYS 801.A SG PRO 802.A O no hydrogen 3.446 N/A ARG 806.A N PRO 802.A O no hydrogen 2.973 N/A ARG 806.A NH1 ASP 843.A OD1 no hydrogen 3.205 N/A ARG 806.A NH1 ASP 843.A OD2 no hydrogen 3.122 N/A GLY 807.A N PHE 803.A O no hydrogen 3.198 N/A ILE 808.A N HIS 804.A O no hydrogen 3.151 N/A LEU 809.A N ILE 805.A O no hydrogen 3.006 N/A THR 810.A N ARG 806.A O no hydrogen 2.939 N/A THR 810.A OG1 ARG 806.A O no hydrogen 2.872 N/A THR 810.A OG1 CYS 845.A O no hydrogen 3.063 N/A TYR 811.A N GLY 807.A O no hydrogen 2.968 N/A TYR 811.A OH PRO 822.A O no hydrogen 2.575 N/A ASN 812.A N ILE 808.A O no hydrogen 2.827 N/A ARG 813.A N LEU 809.A O no hydrogen 3.155 N/A ARG 813.A NH1 GLY 795.A O no hydrogen 2.910 N/A ARG 813.A NH2 PHE 841.A O no hydrogen 3.227 N/A ALA 814.A N THR 810.A O no hydrogen 3.166 N/A ILE 815.A N TYR 811.A O no hydrogen 2.999 N/A LYS 816.A N ARG 813.A O no hydrogen 3.476 N/A ASN 818.A N ILE 815.A O no hydrogen 2.998 N/A GLY 827.A N ALA 785.A O no hydrogen 2.715 N/A GLU 828.A N VAL 825.A O no hydrogen 3.013 N/A LYS 829.A NZ ASN 284.A OD1 no hydrogen 2.896 N/A LYS 829.A NZ GLN 285.A O no hydrogen 2.780 N/A VAL 830.A N SER 783.A O no hydrogen 2.837 N/A TYR 831.A N TRP 848.A O no hydrogen 2.815 N/A VAL 832.A N SER 781.A O no hydrogen 2.733 N/A LEU 833.A N ILE 846.A O no hydrogen 2.933 N/A LEU 835.A N LYS 844.A O no hydrogen 2.663 N/A ARG 836.A N TRP 865.A O no hydrogen 2.914 N/A ARG 836.A NH1 HIS 864.A O no hydrogen 3.116 N/A ARG 836.A NH1 MET 866.A O no hydrogen 3.178 N/A ARG 836.A NH2 HIS 864.A O no hydrogen 3.100 N/A ASN 839.A ND2 ARG 836.A O no hydrogen 2.755 N/A ASN 839.A ND2 ASP 843.A O no hydrogen 2.811 N/A PHE 841.A N ASN 839.A OD1 no hydrogen 2.833 N/A GLY 842.A N ASN 839.A O no hydrogen 3.377 N/A LYS 844.A N ASP 843.A OD1 no hydrogen 2.797 N/A CYS 845.A SG PHE 803.A O no hydrogen 3.196 N/A ILE 846.A N LEU 833.A O no hydrogen 2.955 N/A ALA 847.A N GLY 807.A O no hydrogen 3.014 N/A TRP 848.A N TYR 831.A O no hydrogen 3.025 N/A TRP 848.A NE1 THR 852.A O no hydrogen 2.857 N/A SER 850.A N LYS 829.A O no hydrogen 3.029 N/A SER 850.A OG PRO 286.A O no hydrogen 2.584 N/A SER 850.A OG LYS 829.A O no hydrogen 3.274 N/A THR 852.A OG1 PRO 849.A O no hydrogen 2.657 N/A THR 852.A OG1 GLU 853.A O no hydrogen 3.562 N/A ILE 854.A N TYR 776.A OH no hydrogen 3.045 N/A LEU 857.A N THR 855.A OG1 no hydrogen 3.133 N/A ILE 858.A N THR 855.A O no hydrogen 3.055 N/A LYS 859.A NZ GLU 853.A OE1 no hydrogen 2.809 N/A VAL 862.A N ILE 858.A O no hydrogen 3.342 N/A LEU 863.A N LYS 859.A O no hydrogen 3.213 N/A HIS 864.A N ASP 860.A O no hydrogen 3.031 N/A TRP 865.A N ASP 861.A O no hydrogen 2.766 N/A MET 866.A N VAL 862.A O no hydrogen 2.647 N/A ASP 867.A N PRO 834.A O no hydrogen 2.870 N/A VAL 870.A N ASP 867.A OD1 no hydrogen 3.091 N/A LEU 871.A N ASP 867.A O no hydrogen 3.106 N/A LEU 872.A N TYR 868.A O no hydrogen 2.955 N/A GLU 873.A N THR 869.A O no hydrogen 3.012 N/A LYS 874.A N VAL 870.A O no hydrogen 2.945 N/A THR 875.A N LEU 871.A O no hydrogen 3.120 N/A THR 875.A OG1 LEU 871.A O no hydrogen 2.807 N/A PHE 876.A N LEU 872.A O no hydrogen 3.043 N/A ILE 877.A N LEU 872.A O no hydrogen 2.862 N/A LYS 878.A N GLU 873.A O no hydrogen 2.889 N/A LEU 880.A N PHE 876.A O no hydrogen 3.063 N/A GLU 881.A N ILE 877.A O no hydrogen 2.784 N/A GLY 882.A N LYS 878.A O no hydrogen 3.133 N/A PHE 883.A N PRO 879.A O no hydrogen 2.953 N/A THR 884.A N LEU 880.A O no hydrogen 2.838 N/A THR 884.A OG1 LEU 880.A O no hydrogen 3.069 N/A THR 884.A OG1 GLU 881.A O no hydrogen 3.339 N/A SER 885.A N GLU 881.A O no hydrogen 3.033 N/A SER 885.A OG.A GLU 881.A O no hydrogen 2.726 N/A SER 885.A OG.A GLY 882.A O no hydrogen 3.127 N/A SER 885.A OG.B GLU 881.A O no hydrogen 2.707 N/A ALA 886.A N GLY 882.A O no hydrogen 3.252 N/A ALA 887.A N PHE 883.A O no hydrogen 3.004 N/A LYS 888.A N SER 885.A O no hydrogen 3.253 N/A LYS 888.A NZ ASN 402.A OD1 no hydrogen 3.425 N/A LEU 889.A N THR 884.A O no hydrogen 2.828 N/A ASP 890.A N GLU 757.A OE2 no hydrogen 2.778 N/A TYR 891.A OH GLU 881.A OE1.A no hydrogen 2.638 N/A SER 896.A OG ASP 899.A OD1 no hydrogen 3.135 N/A