Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bow_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N TRP 127.A O no hydrogen 3.043 N/A TYR 5.A N GLU 129.A O no hydrogen 3.008 N/A ASN 7.A N LYS 4.A O no hydrogen 2.952 N/A GLN 8.A N TYR 5.A O no hydrogen 3.275 N/A GLN 8.A NE2 ASP 26.A OD1 no hydrogen 2.901 N/A THR 12.A N ASP 9.A OD2 no hydrogen 3.239 N/A THR 12.A OG1 ASP 9.A OD2 no hydrogen 2.656 N/A LEU 13.A N ASP 9.A O no hydrogen 2.977 N/A ARG 14.A N TYR 10.A O no hydrogen 2.815 N/A ARG 14.A NE TYR 10.A OH no hydrogen 3.241 N/A ASN 15.A N GLU 11.A O no hydrogen 2.977 N/A GLU 16.A N THR 12.A O no hydrogen 3.115 N/A CYS 17.A N LEU 13.A O no hydrogen 3.219 N/A CYS 17.A SG LEU 13.A O no hydrogen 3.273 N/A LEU 18.A N ARG 14.A O no hydrogen 2.893 N/A GLU 19.A N ASN 15.A O no hydrogen 2.970 N/A ALA 20.A N GLU 16.A O no hydrogen 2.892 N/A GLY 21.A N LEU 18.A O no hydrogen 3.089 N/A ALA 22.A N CYS 17.A O no hydrogen 2.740 N/A PHE 24.A N ALA 114.A O no hydrogen 2.836 N/A ASP 26.A N ASP 133.A OD2 no hydrogen 2.823 N/A SER 28.A N ASP 26.A OD1 no hydrogen 3.351 N/A SER 28.A OG ASP 26.A OD1 no hydrogen 2.763 N/A SER 28.A OG ASP 26.A OD2 no hydrogen 3.327 N/A LEU 32.A N PRO 30.A O no hydrogen 2.851 N/A SER 35.A N LEU 32.A O no hydrogen 2.996 N/A SER 35.A OG PRO 30.A O no hydrogen 2.521 N/A LEU 36.A N PRO 33.A O no hydrogen 3.071 N/A GLY 37.A N PRO 33.A O no hydrogen 3.287 N/A PHE 38.A N GLU 171.A OE1 no hydrogen 2.868 N/A LYS 39.A N GLU 171.A OE1 no hydrogen 2.956 N/A GLU 40.A N GLU 171.A OE2 no hydrogen 2.692 N/A LEU 41.A N GLU 171.A OE1 no hydrogen 3.017 N/A GLY 42.A N LYS 39.A O no hydrogen 3.367 N/A SER 45.A N GLY 42.A O no hydrogen 3.310 N/A SER 45.A OG GLU 40.A O no hydrogen 2.695 N/A THR 48.A N SER 45.A O no hydrogen 3.126 N/A THR 48.A OG1 GLY 42.A O no hydrogen 3.357 N/A THR 48.A OG1 SER 45.A O no hydrogen 2.711 N/A ARG 49.A NH1 PRO 43.A O no hydrogen 3.314 N/A ILE 51.A N THR 48.A O no hydrogen 3.345 N/A GLU 52.A N THR 138.A O no hydrogen 2.898 N/A LYS 54.A N LEU 136.A O no hydrogen 2.944 N/A ARG 55.A N GLU 58.A OE1 no hydrogen 2.856 N/A ARG 55.A NH1 PHE 24.A O no hydrogen 3.203 N/A ARG 55.A NH1 GLY 115.A O no hydrogen 3.414 N/A ARG 55.A NH1 ASP 134.A OD2 no hydrogen 2.679 N/A ARG 55.A NH2 PHE 24.A O no hydrogen 2.737 N/A THR 57.A OG1 TYR 113.A OH no hydrogen 3.224 N/A GLU 58.A N ARG 55.A O no hydrogen 2.801 N/A CYS 60.A N PRO 56.A O no hydrogen 3.124 N/A CYS 60.A SG PRO 56.A O no hydrogen 3.703 N/A GLN 64.A N SER 152.A O no hydrogen 2.874 N/A GLN 64.A NE2 ASP 62.A O no hydrogen 3.537 N/A ILE 67.A N GLU 153.A OE2 no hydrogen 2.792 N/A THR 71.A N ASP 74.A OD2 no hydrogen 2.926 N/A ARG 72.A NE GLU 301.A OE1 no hydrogen 3.332 N/A ARG 72.A NE GLU 301.A OE2 no hydrogen 2.612 N/A ARG 72.A NH2 GLU 301.A OE1 no hydrogen 2.998 N/A ASP 74.A N THR 71.A O no hydrogen 3.030 N/A ILE 75.A N ARG 72.A O no hydrogen 2.962 N/A CYS 76.A N HIS 147.A O no hydrogen 2.953 N/A CYS 76.A SG THR 73.A O no hydrogen 3.781 N/A GLN 77.A N PRO 265.A O no hydrogen 2.743 N/A GLN 77.A NE2 LEU 80.A O no hydrogen 2.738 N/A ALA 79.A N LEU 144.A O no hydrogen 2.898 N/A TRP 84.A NE1 LEU 173.A O no hydrogen 2.671 N/A LEU 85.A N ASP 82.A O no hydrogen 2.766 N/A LEU 86.A N ASP 82.A O no hydrogen 3.098 N/A ALA 87.A N SER 83.A O no hydrogen 2.762 N/A ALA 88.A N TRP 84.A O no hydrogen 3.407 N/A ILE 89.A N LEU 85.A O no hydrogen 2.962 N/A ALA 90.A N LEU 86.A O no hydrogen 2.874 N/A SER 91.A N ALA 87.A O no hydrogen 2.964 N/A SER 91.A OG ALA 87.A O no hydrogen 3.146 N/A SER 91.A OG LEU 216.A O no hydrogen 3.109 N/A LEU 92.A N ALA 88.A O no hydrogen 3.041 N/A THR 93.A N ILE 89.A O no hydrogen 3.118 N/A THR 93.A OG1 ALA 90.A O no hydrogen 2.559 N/A LEU 94.A N SER 91.A O no hydrogen 3.193 N/A ASN 95.A N LEU 92.A O no hydrogen 2.969 N/A ASN 95.A ND2 GLY 213.A O no hydrogen 3.049 N/A ILE 98.A N ASN 95.A O no hydrogen 3.189 N/A ILE 98.A N ASN 95.A OD1 no hydrogen 3.270 N/A LEU 99.A N ASN 95.A O no hydrogen 2.952 N/A ALA 100.A N GLU 96.A O no hydrogen 3.080 N/A ARG 101.A N ILE 98.A O no hydrogen 3.163 N/A VAL 103.A N LEU 99.A O no hydrogen 3.001 N/A GLN 107.A NE2 PRO 104.A O no hydrogen 2.956 N/A GLN 107.A NE2 HIS 118.A O no hydrogen 2.976 N/A GLN 110.A N SER 108.A OG no hydrogen 2.819 N/A GLU 111.A N SER 108.A OG no hydrogen 3.155 N/A TYR 113.A OH THR 57.A OG1 no hydrogen 3.224 N/A TYR 113.A OH ASP 134.A OD1 no hydrogen 2.341 N/A PHE 117.A N VAL 132.A O no hydrogen 2.815 N/A HIS 118.A N GLN 107.A OE1 no hydrogen 2.882 N/A HIS 118.A ND1 GLU 129.A OE1 no hydrogen 2.899 N/A PHE 119.A N VAL 130.A O no hydrogen 2.830 N/A GLN 120.A N VAL 102.A O no hydrogen 2.897 N/A PHE 121.A N VAL 128.A O no hydrogen 2.855 N/A TRP 122.A N ASP 184.A O no hydrogen 2.803 N/A GLN 123.A N GLU 126.A O no hydrogen 2.571 N/A GLN 123.A NE2 TRP 122.A O no hydrogen 2.692 N/A GLU 126.A N GLN 123.A O no hydrogen 3.242 N/A VAL 128.A N PHE 121.A O no hydrogen 2.706 N/A GLU 129.A N ILE 3.A O no hydrogen 2.803 N/A VAL 130.A N PHE 119.A O no hydrogen 2.870 N/A VAL 132.A N PHE 117.A O no hydrogen 2.796 N/A ASP 134.A N GLY 115.A O no hydrogen 3.083 N/A ARG 135.A N ASP 133.A OD1 no hydrogen 2.951 N/A ARG 135.A NE ASP 133.A OD1 no hydrogen 2.984 N/A ARG 135.A NH1 GLN 25.A OE1 no hydrogen 3.530 N/A ARG 135.A NH2 ASP 133.A OD2 no hydrogen 2.723 N/A LEU 136.A N LYS 54.A O no hydrogen 2.915 N/A THR 138.A N GLU 52.A O no hydrogen 2.694 N/A THR 138.A OG1 GLU 52.A O no hydrogen 2.654 N/A LYS 139.A N GLU 142.A O no hydrogen 2.893 N/A LYS 139.A NZ LYS 47.A O no hydrogen 2.751 N/A LYS 139.A NZ ARG 49.A O no hydrogen 3.046 N/A GLU 142.A N LYS 139.A O no hydrogen 3.166 N/A LEU 144.A N PRO 137.A O no hydrogen 3.123 N/A VAL 146.A N GLU 160.A OE1 no hydrogen 3.128 N/A HIS 147.A N CYS 76.A O no hydrogen 3.156 N/A HIS 147.A ND1 PHE 145.A O no hydrogen 2.860 N/A SER 148.A OG GLU 150.A O no hydrogen 3.200 N/A SER 148.A OG GLU 153.A OE1 no hydrogen 2.882 N/A ALA 149.A N THR 73.A O no hydrogen 3.161 N/A GLU 150.A N SER 148.A OG no hydrogen 2.858 N/A SER 152.A OG GLU 150.A OE2 no hydrogen 2.890 N/A GLU 153.A N GLU 150.A O no hydrogen 2.916 N/A PHE 154.A N GLN 64.A O no hydrogen 3.034 N/A TRP 155.A N PHE 65.A O no hydrogen 2.910 N/A TRP 155.A NE1 ASP 74.A OD2 no hydrogen 2.892 N/A SER 156.A OG ASP 74.A O no hydrogen 2.644 N/A LEU 158.A N PHE 154.A O no hydrogen 3.087 N/A LEU 159.A N TRP 155.A O no hydrogen 2.884 N/A GLU 160.A N SER 156.A O no hydrogen 2.992 N/A LYS 161.A N ALA 157.A O no hydrogen 3.139 N/A LYS 161.A NZ ASP 133.A O no hydrogen 2.794 N/A LYS 161.A NZ ARG 135.A O no hydrogen 2.682 N/A ALA 162.A N LEU 158.A O no hydrogen 3.039 N/A TYR 163.A N LEU 159.A O no hydrogen 3.012 N/A TYR 163.A OH ASP 184.A OD2 no hydrogen 2.589 N/A ALA 164.A N GLU 160.A O no hydrogen 2.851 N/A LYS 165.A N LYS 161.A O no hydrogen 2.783 N/A LYS 165.A NZ GLN 8.A OE1 no hydrogen 2.716 N/A LYS 165.A NZ ASP 26.A OD2 no hydrogen 2.748 N/A LYS 165.A NZ SER 28.A OG no hydrogen 3.334 N/A LYS 165.A NZ VAL 131.A O no hydrogen 2.773 N/A ILE 166.A N ALA 162.A O no hydrogen 3.320 N/A ASN 167.A N ALA 164.A O no hydrogen 3.162 N/A ASN 167.A ND2 TYR 163.A O no hydrogen 2.800 N/A GLY 168.A N LYS 165.A O no hydrogen 3.057 N/A TYR 170.A N SER 35.A O no hydrogen 3.182 N/A GLU 171.A N LEU 36.A O no hydrogen 2.781 N/A LEU 173.A N TYR 170.A O no hydrogen 2.900 N/A SER 174.A N GLU 171.A O no hydrogen 3.258 N/A GLY 175.A N GLY 81.A O no hydrogen 3.080 N/A ALA 177.A N GLU 180.A OE2 no hydrogen 3.059 N/A THR 179.A N GLU 317.A OE1 no hydrogen 2.833 N/A THR 179.A OG1 GLU 317.A OE1 no hydrogen 2.679 N/A GLU 180.A N ALA 177.A O no hydrogen 2.980 N/A PHE 182.A N THR 178.A O no hydrogen 2.904 N/A GLU 183.A N THR 179.A O no hydrogen 2.794 N/A ASP 184.A N GLU 180.A O no hydrogen 3.123 N/A PHE 185.A N PHE 182.A O no hydrogen 3.219 N/A THR 186.A N GLU 183.A O no hydrogen 3.228 N/A THR 186.A OG1 PHE 182.A O no hydrogen 2.743 N/A GLY 187.A N GLU 183.A O no hydrogen 2.691 N/A GLY 188.A N THR 186.A OG1 no hydrogen 2.985 N/A ILE 189.A N ASN 320.A O no hydrogen 2.685 N/A GLU 191.A N ILE 318.A O no hydrogen 2.560 N/A TRP 192.A NE1 THR 179.A OG1 no hydrogen 2.719 N/A TYR 193.A N LEU 316.A O no hydrogen 2.872 N/A LEU 195.A N SER 314.A O no hydrogen 2.808 N/A ARG 196.A NH1 TYR 313.A O no hydrogen 2.886 N/A LYS 197.A N GLU 194.A O no hydrogen 3.120 N/A LYS 204.A NZ GLN 207.A OE1 no hydrogen 3.372 N/A ILE 205.A N ASN 201.A O no hydrogen 2.990 N/A ILE 206.A N LEU 202.A O no hydrogen 2.993 N/A GLN 207.A N PHE 203.A O no hydrogen 3.055 N/A GLN 207.A NE2 ALA 247.A O no hydrogen 3.139 N/A LYS 208.A N LYS 204.A O no hydrogen 2.883 N/A LYS 208.A NZ LEU 326.A O no hydrogen 2.768 N/A ALA 209.A N ILE 205.A O no hydrogen 2.843 N/A LEU 210.A N ILE 206.A O no hydrogen 3.057 N/A GLU 211.A N GLN 207.A O no hydrogen 2.903 N/A LYS 212.A N LYS 208.A O no hydrogen 2.956 N/A LYS 212.A N ALA 209.A O no hydrogen 3.217 N/A LYS 212.A NZ TYR 331.A OH no hydrogen 2.635 N/A GLY 213.A N LEU 210.A O no hydrogen 3.232 N/A SER 214.A N ALA 209.A O no hydrogen 2.983 N/A SER 214.A OG ASN 320.A OD1 no hydrogen 2.730 N/A LEU 215.A N CYS 319.A O no hydrogen 3.066 N/A GLY 217.A N GLU 317.A O no hydrogen 2.918 N/A CYS 218.A N TYR 242.A O no hydrogen 3.056 N/A SER 219.A N ARG 315.A O no hydrogen 3.313 N/A ASP 221.A N SER 314.A OG no hydrogen 2.819 N/A SER 224.A OG THR 223.A O no hydrogen 2.448 N/A GLU 229.A N ALA 226.A O no hydrogen 2.772 N/A THR 232.A N LEU 236.A O no hydrogen 2.849 N/A GLN 234.A N THR 232.A OG1 no hydrogen 3.248 N/A LYS 235.A N THR 232.A O no hydrogen 2.939 N/A LEU 236.A N THR 232.A OG1 no hydrogen 3.393 N/A VAL 237.A N TYR 242.A OH no hydrogen 2.763 N/A LYS 238.A N ALA 230.A O no hydrogen 2.810 N/A LYS 238.A NZ GLU 229.A O no hydrogen 2.985 N/A GLY 239.A N ILE 220.A O no hydrogen 3.019 N/A HIS 240.A NE2 ASN 264.A OD1 no hydrogen 2.768 N/A ALA 241.A N SER 83.A OG no hydrogen 3.129 N/A TYR 242.A N CYS 218.A O no hydrogen 3.018 N/A SER 243.A N ARG 263.A O no hydrogen 3.021 N/A SER 243.A OG ALA 87.A O no hydrogen 2.819 N/A VAL 244.A N LEU 216.A O no hydrogen 2.964 N/A THR 245.A N ARG 261.A O no hydrogen 2.787 N/A THR 245.A OG1 ARG 261.A O no hydrogen 3.392 N/A THR 245.A OG1 GLU 301.A OE2 no hydrogen 2.691 N/A GLU 248.A N LEU 259.A O no hydrogen 2.922 N/A VAL 250.A N GLN 257.A O no hydrogen 2.774 N/A SER 252.A N SER 255.A O no hydrogen 2.669 N/A SER 253.A N THR 284.A O no hydrogen 3.425 N/A SER 253.A OG THR 284.A OG1 no hydrogen 2.856 N/A GLY 254.A N GLU 251.A OE2 no hydrogen 2.806 N/A SER 255.A N SER 252.A O no hydrogen 2.926 N/A SER 255.A OG SER 252.A O no hydrogen 3.036 N/A GLN 257.A N VAL 250.A O no hydrogen 2.662 N/A GLN 257.A NE2 SER 255.A OG no hydrogen 2.780 N/A LEU 259.A N GLU 248.A O no hydrogen 2.750 N/A ILE 260.A N MET 304.A O no hydrogen 2.906 N/A ARG 261.A N GLY 246.A O no hydrogen 2.771 N/A ARG 261.A NE THR 245.A OG1 no hydrogen 2.981 N/A ARG 261.A NH2 THR 245.A O no hydrogen 2.689 N/A ILE 262.A N PHE 302.A O no hydrogen 2.912 N/A ARG 263.A N SER 243.A O no hydrogen 2.731 N/A ARG 263.A NE ASP 299.A O no hydrogen 3.320 N/A ARG 263.A NH1 ILE 75.A O no hydrogen 3.052 N/A ARG 263.A NH2 ILE 75.A O no hydrogen 2.812 N/A ASN 264.A N GLY 300.A O no hydrogen 2.892 N/A ASN 264.A ND2 VAL 269.A O no hydrogen 3.048 N/A TRP 266.A N ASN 264.A OD1 no hydrogen 3.087 N/A GLY 267.A N ASN 264.A O no hydrogen 2.871 N/A VAL 269.A N GLU 298.A OE2 no hydrogen 2.461 N/A TRP 271.A NE1 LYS 274.A O no hydrogen 2.790 N/A THR 272.A N GLN 234.A O no hydrogen 3.180 N/A ASN 276.A N GLY 273.A O no hydrogen 3.223 N/A ASN 276.A ND2 GLY 273.A O no hydrogen 2.691 N/A ASN 278.A N ASN 276.A OD1 no hydrogen 2.837 N/A CYS 279.A N ASN 276.A O no hydrogen 2.802 N/A CYS 279.A SG SER 281.A OG no hydrogen 2.964 N/A TRP 282.A N CYS 279.A O no hydrogen 3.203 N/A TRP 282.A NE1 TRP 275.A O no hydrogen 2.990 N/A ASN 283.A N PRO 280.A O no hydrogen 3.135 N/A THR 284.A N SER 281.A O no hydrogen 3.418 N/A THR 284.A OG1 SER 253.A OG no hydrogen 2.856 N/A VAL 285.A N TRP 282.A O no hydrogen 3.274 N/A GLU 288.A N ASP 286.A OD1 no hydrogen 2.976 N/A VAL 289.A N ASP 286.A OD1 no hydrogen 3.296 N/A ARG 290.A N ASP 286.A O no hydrogen 2.790 N/A ALA 291.A N PRO 287.A O no hydrogen 2.758 N/A ASN 292.A N GLU 288.A O no hydrogen 3.155 N/A LEU 293.A N VAL 289.A O no hydrogen 3.030 N/A LEU 293.A N ARG 290.A O no hydrogen 3.144 N/A THR 294.A N ARG 290.A O no hydrogen 2.931 N/A GLN 297.A N ASP 277.A OD2 no hydrogen 3.117 N/A ASP 299.A N GLU 270.A OE2 no hydrogen 2.804 N/A GLU 301.A N ASP 299.A OD1 no hydrogen 3.092 N/A PHE 302.A N ILE 262.A O no hydrogen 2.937 N/A TRP 303.A NE1 LEU 293.A O no hydrogen 2.840 N/A MET 304.A N ILE 260.A O no hydrogen 3.045 N/A PHE 306.A N LYS 258.A O no hydrogen 2.788 N/A ASP 308.A N SER 305.A OG no hydrogen 3.237 N/A PHE 309.A N SER 305.A O no hydrogen 2.966 N/A LEU 310.A N PHE 306.A O no hydrogen 2.893 N/A ARG 311.A N SER 307.A O no hydrogen 2.938 N/A HIS 312.A N PHE 309.A O no hydrogen 3.341 N/A HIS 312.A ND1 ASP 308.A O no hydrogen 2.739 N/A TYR 313.A N PHE 309.A O no hydrogen 2.853 N/A SER 314.A N SER 219.A O no hydrogen 2.904 N/A ARG 315.A N SER 219.A O no hydrogen 3.401 N/A ARG 315.A NE GLU 194.A OE2 no hydrogen 3.285 N/A ARG 315.A NH1 ASP 221.A OD1 no hydrogen 3.185 N/A ARG 315.A NH2 GLU 194.A OE1 no hydrogen 3.381 N/A ARG 315.A NH2 ASP 221.A OD1 no hydrogen 3.224 N/A ARG 315.A NH2 ASP 221.A OD2 no hydrogen 3.351 N/A LEU 316.A N TYR 193.A O no hydrogen 2.895 N/A GLU 317.A N GLY 217.A O no hydrogen 2.757 N/A ILE 318.A N GLU 191.A O no hydrogen 2.756 N/A CYS 319.A N LEU 215.A O no hydrogen 2.894 N/A CYS 319.A SG THR 186.A OG1 no hydrogen 3.248 N/A ASN 320.A N ILE 189.A O no hydrogen 2.793 N/A ASN 320.A ND2 GLU 191.A OE1 no hydrogen 2.792 N/A THR 322.A OG1 ASP 324.A OD2 no hydrogen 2.852 N/A ASP 324.A N THR 322.A OG1 no hydrogen 3.415 N/A THR 325.A OG1 GLU 191.A OE2 no hydrogen 2.469 N/A THR 325.A OG1 THR 327.A OG1 no hydrogen 3.076 N/A LEU 326.A N GLU 191.A OE1 no hydrogen 3.115 N/A THR 327.A OG1 THR 325.A OG1 no hydrogen 3.076 N/A CYS 328.A N THR 325.A O no hydrogen 3.231 N/A CYS 328.A SG SER 330.A O no hydrogen 3.783 N/A CYS 328.A SG GLU 377.A OE1 no hydrogen 3.117 N/A LYS 332.A N ASP 324.A OD1 no hydrogen 3.006 N/A TRP 334.A NE1 ASP 324.A OD1 no hydrogen 2.751 N/A LYS 335.A N SER 481.A O no hydrogen 2.883 N/A THR 337.A N VAL 479.A O no hydrogen 2.722 N/A MET 339.A N ILE 477.A O no hydrogen 2.861 N/A GLY 341.A N PHE 475.A O no hydrogen 2.890 N/A ASN 342.A ND2 ASP 474.A OD1 no hydrogen 2.673 N/A TRP 343.A N GLY 473.A O no hydrogen 2.778 N/A TRP 343.A NE1 PRO 464.A O no hydrogen 3.011 N/A ARG 344.A N THR 348.A OG1 no hydrogen 2.803 N/A ARG 344.A NE ASP 629.A O no hydrogen 3.261 N/A ARG 344.A NH1 ASN 472.A OD1 no hydrogen 2.881 N/A ARG 344.A NH2 ASP 629.A O no hydrogen 2.829 N/A ARG 345.A N ASN 472.A OD1 no hydrogen 2.906 N/A SER 347.A N ARG 344.A O no hydrogen 2.981 N/A SER 347.A OG ARG 344.A O no hydrogen 3.323 N/A THR 348.A OG1 ASN 342.A O no hydrogen 2.842 N/A ALA 349.A N ARG 344.A O no hydrogen 3.233 N/A GLY 350.A N THR 348.A O no hydrogen 3.043 N/A GLY 350.A N ASN 362.A OD1 no hydrogen 3.219 N/A CYS 352.A N PHE 467.A O no hydrogen 2.896 N/A CYS 352.A SG PHE 467.A O no hydrogen 3.388 N/A ARG 353.A NH1 PHE 431.A O no hydrogen 2.802 N/A ARG 353.A NH2 ARG 353.A O no hydrogen 2.902 N/A TYR 355.A N CYS 352.A O no hydrogen 2.812 N/A THR 358.A N TYR 355.A O no hydrogen 3.078 N/A THR 358.A OG1 GLY 350.A O no hydrogen 2.647 N/A THR 358.A OG1 TYR 355.A O no hydrogen 3.450 N/A PHE 359.A N TYR 355.A O no hydrogen 2.763 N/A TRP 360.A NE1 ASN 357.A O no hydrogen 2.868 N/A MET 361.A N THR 358.A O no hydrogen 2.754 N/A ASN 362.A N PHE 359.A O no hydrogen 3.265 N/A ASN 362.A ND2 GLY 351.A O no hydrogen 2.824 N/A ASN 362.A ND2 PHE 359.A O no hydrogen 2.856 N/A GLN 364.A NE2 LEU 426.A O no hydrogen 3.114 N/A TYR 365.A N LEU 462.A O no hydrogen 3.052 N/A TYR 365.A OH ASP 340.A O no hydrogen 2.976 N/A ILE 367.A N TYR 460.A O no hydrogen 2.736 N/A LYS 368.A NZ GLU 459.A OE2 no hydrogen 2.864 N/A LEU 369.A N GLY 458.A O no hydrogen 2.656 N/A GLU 372.A N GLU 372.A OE1 no hydrogen 2.753 N/A ASP 373.A N GLU 370.A O no hydrogen 2.987 N/A GLU 374.A N GLU 371.A O no hydrogen 3.288 N/A ASP 375.A N GLY 382.A O no hydrogen 2.980 N/A GLU 377.A N ASP 375.A OD2 no hydrogen 3.213 N/A GLY 379.A N ASP 376.A O no hydrogen 3.093 N/A GLU 380.A N GLU 377.A O no hydrogen 3.157 N/A GLY 382.A N ASP 375.A O no hydrogen 3.187 N/A CYS 383.A N LEU 455.A O no hydrogen 2.808 N/A CYS 383.A SG GLU 370.A O no hydrogen 3.058 N/A CYS 383.A SG GLU 374.A OE2 no hydrogen 3.384 N/A THR 384.A OG1 ASP 375.A OD1 no hydrogen 2.649 N/A THR 384.A OG1 GLU 482.A OE1 no hydrogen 3.517 N/A PHE 385.A N PHE 453.A O no hydrogen 3.057 N/A LEU 386.A N PHE 480.A O no hydrogen 2.704 N/A VAL 387.A N ASN 451.A O no hydrogen 3.064 N/A GLY 388.A N ARG 478.A O no hydrogen 2.942 N/A LEU 389.A N VAL 449.A O no hydrogen 2.868 N/A ILE 390.A N CYS 476.A O no hydrogen 2.923 N/A GLN 391.A N ARG 447.A O no hydrogen 2.811 N/A GLN 391.A NE2 HIS 405.A O no hydrogen 2.783 N/A GLN 391.A NE2 LEU 446.A O no hydrogen 2.656 N/A LYS 392.A N ASP 474.A O no hydrogen 2.849 N/A HIS 393.A N TYR 124.A OH no hydrogen 3.148 N/A ARG 394.A NH1 ASP 403.A O no hydrogen 3.076 N/A ARG 395.A NH1 ALA 172.A O no hydrogen 2.874 N/A ARG 395.A NH1 GLY 175.A O no hydrogen 2.815 N/A ARG 395.A NH2 GLY 175.A O no hydrogen 2.665 N/A ARG 395.A NH2 GLU 180.A OE1 no hydrogen 2.844 N/A ARG 396.A NH1 ILE 166.A O no hydrogen 3.147 N/A GLN 397.A N ARG 394.A O no hydrogen 3.297 N/A ARG 398.A N ARG 395.A O no hydrogen 3.148 N/A ARG 398.A NH1 SER 174.A O no hydrogen 3.138 N/A ARG 398.A NH2 SER 174.A O no hydrogen 2.212 N/A MET 400.A N GLN 397.A O no hydrogen 2.889 N/A GLY 401.A N ARG 398.A O no hydrogen 2.894 N/A GLU 402.A N GLN 397.A O no hydrogen 3.069 N/A HIS 405.A N GLN 391.A OE1 no hydrogen 2.632 N/A ILE 407.A N ILE 444.A O no hydrogen 2.885 N/A GLY 408.A N SER 465.A O no hydrogen 3.124 N/A PHE 409.A N SER 440.A OG no hydrogen 3.204 N/A GLY 410.A N VAL 463.A O no hydrogen 3.080 N/A ILE 411.A N GLU 438.A O no hydrogen 2.651 N/A TYR 412.A N VAL 461.A O no hydrogen 2.906 N/A VAL 414.A N GLU 459.A O no hydrogen 3.337 N/A GLU 417.A N GLU 417.A OE1 no hydrogen 2.700 N/A LEU 418.A N PRO 415.A O no hydrogen 3.054 N/A THR 419.A N GLU 416.A O no hydrogen 3.299 N/A THR 419.A OG1 PRO 415.A O no hydrogen 3.516 N/A GLY 420.A N GLU 459.A OE1 no hydrogen 2.948 N/A HIS 425.A ND1 TYR 601.A OH no hydrogen 2.633 N/A HIS 425.A NE2 TRP 360.A O no hydrogen 2.644 N/A LEU 426.A N GLN 364.A OE1 no hydrogen 2.827 N/A PHE 430.A N SER 427.A OG no hydrogen 3.197 N/A PHE 431.A N SER 427.A O no hydrogen 3.294 N/A LEU 432.A N LYS 428.A O no hydrogen 2.887 N/A THR 433.A N PHE 430.A O no hydrogen 3.276 N/A THR 433.A OG1 ASN 429.A O no hydrogen 2.663 N/A THR 433.A OG1 PHE 430.A O no hydrogen 3.329 N/A THR 434.A OG1 ARG 435.A O no hydrogen 3.326 N/A ARG 437.A N ILE 411.A O no hydrogen 2.692 N/A ARG 437.A NH1 GLU 413.A OE2 no hydrogen 2.939 N/A GLU 438.A N ILE 411.A O no hydrogen 3.162 N/A ARG 439.A N GLU 438.A OE1 no hydrogen 3.237 N/A SER 440.A N PHE 409.A O no hydrogen 2.970 N/A SER 440.A OG PHE 409.A O no hydrogen 3.349 N/A SER 440.A OG THR 442.A O no hydrogen 2.870 N/A ASP 441.A N ASN 451.A OD1 no hydrogen 2.545 N/A THR 442.A OG1 PHE 443.A O no hydrogen 3.312 N/A ILE 444.A N ILE 407.A O no hydrogen 2.928 N/A ARG 447.A NH1 ASP 184.A OD1 no hydrogen 3.167 N/A ARG 447.A NH1 ASP 184.A OD2 no hydrogen 2.838 N/A ARG 447.A NH2 GLU 183.A OE1 no hydrogen 2.943 N/A ARG 447.A NH2 ASP 184.A OD1 no hydrogen 2.983 N/A VAL 449.A N LEU 389.A O no hydrogen 2.926 N/A ASN 451.A N VAL 387.A O no hydrogen 3.001 N/A ASN 451.A ND2 ASP 441.A OD2 no hydrogen 2.627 N/A ASN 451.A ND2 LEU 450.A O no hydrogen 2.596 N/A ARG 452.A NH1 PRO 323.A O no hydrogen 2.895 N/A ARG 452.A NH2 ALA 190.A O no hydrogen 3.542 N/A PHE 453.A N PHE 385.A O no hydrogen 2.893 N/A LYS 454.A NZ ASP 375.A OD2 no hydrogen 3.026 N/A LYS 454.A NZ GLU 380.A O no hydrogen 2.736 N/A LEU 455.A N CYS 383.A O no hydrogen 3.138 N/A GLY 458.A N LEU 369.A O no hydrogen 2.717 N/A TYR 460.A N ILE 367.A O no hydrogen 2.693 N/A TYR 460.A OH PRO 456.A O no hydrogen 2.572 N/A VAL 461.A N TYR 412.A O no hydrogen 2.747 N/A LEU 462.A N TYR 365.A O no hydrogen 2.711 N/A VAL 463.A N GLY 410.A O no hydrogen 2.826 N/A SER 465.A N GLY 408.A O no hydrogen 2.981 N/A SER 465.A OG THR 466.A O no hydrogen 3.042 N/A THR 466.A OG1 GLU 468.A O no hydrogen 2.680 N/A PHE 467.A N THR 406.A O no hydrogen 2.722 N/A HIS 470.A N ALA 349.A O no hydrogen 2.820 N/A GLY 473.A N TRP 343.A O no hydrogen 2.958 N/A PHE 475.A N GLY 341.A O no hydrogen 3.056 N/A CYS 476.A N ILE 390.A O no hydrogen 2.923 N/A CYS 476.A SG TYR 124.A O no hydrogen 3.686 N/A ILE 477.A N MET 339.A O no hydrogen 2.790 N/A ARG 478.A N GLY 388.A O no hydrogen 3.098 N/A ARG 478.A NH1 GLY 188.A O no hydrogen 3.268 N/A ARG 478.A NH1 GLU 448.A OE2 no hydrogen 3.146 N/A ARG 478.A NH2 GLY 188.A O no hydrogen 2.686 N/A VAL 479.A N THR 337.A O no hydrogen 2.789 N/A PHE 480.A N LEU 386.A O no hydrogen 2.944 N/A SER 481.A N LYS 335.A O no hydrogen 2.952 N/A GLU 482.A N THR 384.A O no hydrogen 2.908 N/A LYS 483.A N LYS 333.A O no hydrogen 2.742 N/A LYS 483.A NZ ASP 373.A OD2 no hydrogen 2.787 N/A LYS 484.A N ASP 373.A OD1 no hydrogen 3.203 N/A GLU 493.A N LYS 613.A O no hydrogen 3.053 N/A ASN 495.A N GLY 611.A O no hydrogen 2.683 N/A ASN 495.A ND2 GLU 493.A OE1 no hydrogen 3.472 N/A ASN 502.A N ASP 505.A OD2 no hydrogen 3.169 N/A GLU 504.A N GLU 504.A OE1 no hydrogen 2.917 N/A ASP 505.A N ASN 502.A O no hydrogen 3.000 N/A ILE 506.A N GLU 503.A O no hydrogen 3.283 N/A ARG 511.A N GLY 507.A O no hydrogen 3.023 N/A ARG 511.A NE ILE 506.A O no hydrogen 2.751 N/A ARG 511.A NH1 GLU 503.A OE1 no hydrogen 3.242 N/A ARG 511.A NH2 GLU 503.A O no hydrogen 2.900 N/A ARG 511.A NH2 GLU 503.A OE1 no hydrogen 2.963 N/A ARG 511.A NH2 ILE 506.A O no hydrogen 3.118 N/A ARG 512.A N ASP 508.A O no hydrogen 2.860 N/A LEU 513.A N GLY 509.A O no hydrogen 3.211 N/A PHE 514.A N PHE 510.A O no hydrogen 2.797 N/A ALA 515.A N ARG 511.A O no hydrogen 2.992 N/A GLN 516.A N ARG 512.A O no hydrogen 3.122 N/A LEU 517.A N LEU 513.A O no hydrogen 3.068 N/A LEU 517.A N PHE 514.A O no hydrogen 2.933 N/A ALA 518.A N PHE 514.A O no hydrogen 2.712 N/A GLY 519.A N ALA 515.A O no hydrogen 3.359 N/A ALA 522.A N GLY 519.A O no hydrogen 3.027 N/A ILE 524.A N LEU 568.A O no hydrogen 2.746 N/A SER 525.A N GLU 528.A OE1 no hydrogen 2.871 N/A SER 525.A OG GLU 528.A OE1 no hydrogen 3.542 N/A GLU 528.A N SER 525.A OG no hydrogen 3.170 N/A LEU 529.A N SER 525.A O no hydrogen 2.780 N/A GLN 530.A N ALA 526.A O no hydrogen 2.774 N/A GLN 530.A NE2 PHE 548.A O no hydrogen 2.904 N/A THR 531.A N PHE 527.A O no hydrogen 3.089 N/A THR 531.A OG1 PHE 527.A O no hydrogen 3.124 N/A ILE 532.A N GLU 528.A O no hydrogen 2.900 N/A LEU 533.A N LEU 529.A O no hydrogen 2.852 N/A ARG 534.A N GLN 530.A O no hydrogen 2.811 N/A ARG 535.A N THR 531.A O no hydrogen 2.964 N/A VAL 536.A N ILE 532.A O no hydrogen 2.943 N/A LEU 537.A N LEU 533.A O no hydrogen 3.086 N/A ALA 538.A N ARG 534.A O no hydrogen 3.123 N/A LYS 539.A N VAL 536.A O no hydrogen 3.094 N/A ARG 540.A N LEU 537.A O no hydrogen 3.121 N/A ARG 540.A NE ASP 542.A OD1 no hydrogen 3.241 N/A ARG 540.A NH2 ASP 542.A OD2 no hydrogen 3.236 N/A LYS 544.A N GLY 596.A O no hydrogen 2.937 N/A LYS 544.A NZ GLU 541.A O no hydrogen 3.557 N/A SER 545.A OG GLY 547.A O no hydrogen 2.873 N/A ASP 546.A N ASP 634.A OD2 no hydrogen 3.062 N/A SER 549.A N ASP 636.A OD2 no hydrogen 3.119 N/A SER 549.A OG THR 552.A OG1 no hydrogen 2.248 N/A SER 549.A OG ASP 636.A OD1 no hydrogen 3.277 N/A SER 549.A OG ASP 636.A OD2 no hydrogen 3.145 N/A THR 552.A OG1 SER 549.A OG no hydrogen 2.248 N/A THR 552.A OG1 ASP 636.A OD1 no hydrogen 2.755 N/A CYS 553.A N SER 549.A O no hydrogen 3.275 N/A CYS 553.A SG SER 549.A O no hydrogen 3.315 N/A LYS 554.A N ILE 550.A O no hydrogen 2.826 N/A ILE 555.A N GLU 551.A O no hydrogen 3.332 N/A MET 556.A N THR 552.A O no hydrogen 3.122 N/A VAL 557.A N CYS 553.A O no hydrogen 2.891 N/A ASP 558.A N LYS 554.A O no hydrogen 3.093 N/A MET 559.A N ILE 555.A O no hydrogen 2.881 N/A LEU 560.A N VAL 557.A O no hydrogen 3.059 N/A ASP 561.A N VAL 557.A O no hydrogen 2.856 N/A GLU 562.A N GLU 572.A OE2 no hydrogen 3.067 N/A ASP 563.A N GLU 572.A OE2 no hydrogen 3.467 N/A SER 565.A OG GLU 523.A OE2 no hydrogen 2.683 N/A SER 565.A OG ASP 561.A OD1 no hydrogen 3.076 N/A SER 565.A OG ASP 563.A OD1 no hydrogen 3.416 N/A GLY 566.A N ASP 561.A OD2 no hydrogen 2.735 N/A LYS 567.A N SER 565.A OG no hydrogen 3.177 N/A LYS 567.A NZ ASP 521.A OD2 no hydrogen 2.811 N/A LEU 568.A N ILE 524.A O no hydrogen 2.668 N/A GLY 569.A N GLU 572.A OE1 no hydrogen 3.079 N/A PHE 573.A N GLY 569.A O no hydrogen 2.957 N/A TYR 574.A N LEU 570.A O no hydrogen 3.007 N/A TYR 574.A OH GLU 500.A OE2 no hydrogen 2.216 N/A ILE 575.A N LYS 571.A O no hydrogen 2.994 N/A LEU 576.A N GLU 572.A O no hydrogen 3.130 N/A TRP 577.A N PHE 573.A O no hydrogen 2.813 N/A THR 578.A N TYR 574.A O no hydrogen 2.961 N/A THR 578.A OG1 TYR 574.A O no hydrogen 2.723 N/A LYS 579.A N ILE 575.A O no hydrogen 2.878 N/A LYS 579.A NZ GLU 646.A OE1 no hydrogen 3.189 N/A LYS 579.A NZ GLU 646.A OE2 no hydrogen 2.923 N/A ILE 580.A N LEU 576.A O no hydrogen 2.823 N/A GLN 581.A N TRP 577.A O no hydrogen 2.815 N/A LYS 582.A N THR 578.A O no hydrogen 3.114 N/A TYR 583.A N LYS 579.A O no hydrogen 2.873 N/A TYR 583.A OH GLU 646.A OE1 no hydrogen 3.411 N/A GLN 584.A N ILE 580.A O no hydrogen 3.086 N/A GLN 584.A NE2 GLN 581.A O no hydrogen 3.040 N/A LYS 585.A N GLN 581.A O no hydrogen 3.093 N/A LYS 585.A NZ GLU 589.A OE2 no hydrogen 2.771 N/A ILE 586.A N LYS 582.A O no hydrogen 2.945 N/A TYR 587.A N TYR 583.A O no hydrogen 3.021 N/A TYR 587.A OH GLY 596.A O no hydrogen 2.592 N/A ARG 588.A N GLN 584.A O no hydrogen 2.998 N/A GLU 589.A N LYS 585.A O no hydrogen 2.984 N/A ILE 590.A N ILE 586.A O no hydrogen 3.001 N/A VAL 592.A N ILE 590.A O no hydrogen 2.696 N/A ARG 594.A N ASP 591.A O no hydrogen 3.112 N/A SER 595.A N ASP 593.A OD1 no hydrogen 3.323 N/A SER 595.A OG ASP 591.A OD1 no hydrogen 3.273 N/A SER 595.A OG ASP 593.A OD1 no hydrogen 3.106 N/A SER 595.A OG ASP 593.A OD2 no hydrogen 3.381 N/A SER 595.A OG THR 597.A OG1 no hydrogen 2.934 N/A GLY 596.A N ASP 591.A OD2 no hydrogen 2.767 N/A THR 597.A N SER 595.A OG no hydrogen 3.370 N/A THR 597.A OG1 SER 595.A OG no hydrogen 2.934 N/A MET 598.A N ILE 633.A O no hydrogen 2.852 N/A ASN 599.A N GLU 602.A OE1 no hydrogen 2.844 N/A TYR 601.A OH HIS 425.A ND1 no hydrogen 2.633 N/A GLU 602.A N ASN 599.A OD1 no hydrogen 2.797 N/A MET 603.A N ASN 599.A O no hydrogen 2.960 N/A ARG 604.A N SER 600.A O no hydrogen 3.309 N/A ARG 604.A NE ASP 340.A OD1 no hydrogen 3.450 N/A ARG 604.A NH1 SER 600.A O no hydrogen 3.428 N/A ARG 604.A NH2 ASP 340.A OD1 no hydrogen 3.026 N/A ARG 604.A NH2 ASP 340.A OD2 no hydrogen 3.258 N/A LYS 605.A N TYR 601.A O no hydrogen 3.197 N/A LYS 605.A NZ ASN 423.A O no hydrogen 2.916 N/A LYS 605.A NZ ILE 424.A O no hydrogen 2.981 N/A LYS 605.A NZ TYR 601.A OH no hydrogen 3.377 N/A ALA 606.A N GLU 602.A O no hydrogen 2.946 N/A LEU 607.A N MET 603.A O no hydrogen 2.878 N/A GLU 608.A N ARG 604.A O no hydrogen 3.096 N/A GLU 609.A N LYS 605.A O no hydrogen 2.881 N/A ALA 610.A N ALA 606.A O no hydrogen 2.809 N/A GLY 611.A N GLU 608.A O no hydrogen 3.108 N/A PHE 612.A N LEU 607.A O no hydrogen 2.900 N/A LYS 613.A N GLU 493.A O no hydrogen 2.734 N/A CYS 616.A SG LYS 338.A O no hydrogen 3.974 N/A CYS 616.A SG ASP 340.A OD1 no hydrogen 3.523 N/A LEU 618.A N PRO 615.A O no hydrogen 3.186 N/A HIS 619.A N PRO 615.A O no hydrogen 3.334 N/A GLN 620.A N CYS 616.A O no hydrogen 3.017 N/A VAL 621.A N GLN 617.A O no hydrogen 3.109 N/A ILE 622.A N LEU 618.A O no hydrogen 2.846 N/A VAL 623.A N HIS 619.A O no hydrogen 3.087 N/A ALA 624.A N GLN 620.A O no hydrogen 3.054 N/A ARG 625.A NH1 ARG 625.A O no hydrogen 3.182 N/A PHE 626.A N ILE 622.A O no hydrogen 3.202 N/A ALA 627.A N VAL 623.A O no hydrogen 2.973 N/A ASP 628.A N ILE 632.A O no hydrogen 2.928 N/A GLU 630.A N ASP 628.A OD1 no hydrogen 2.835 N/A LEU 631.A N ASP 628.A O no hydrogen 2.946 N/A ILE 632.A N ASP 628.A OD1 no hydrogen 2.978 N/A ILE 633.A N MET 598.A O no hydrogen 2.702 N/A PHE 635.A N LYS 544.A O no hydrogen 2.984 N/A ASP 636.A N SER 545.A OG no hydrogen 3.178 N/A ASN 637.A N ASP 634.A OD1 no hydrogen 3.452 N/A PHE 638.A N ASP 634.A O no hydrogen 2.895 N/A VAL 639.A N PHE 635.A O no hydrogen 2.976 N/A ARG 640.A N ASP 636.A O no hydrogen 3.142 N/A ARG 640.A NE THR 552.A OG1 no hydrogen 3.164 N/A ARG 640.A NH2 SER 549.A OG no hydrogen 2.863 N/A ARG 640.A NH2 THR 552.A OG1 no hydrogen 2.788 N/A CYS 641.A N ASN 637.A O no hydrogen 2.809 N/A LEU 642.A N PHE 638.A O no hydrogen 3.081 N/A VAL 643.A N VAL 639.A O no hydrogen 2.801 N/A ARG 644.A N ARG 640.A O no hydrogen 3.015 N/A LEU 645.A N CYS 641.A O no hydrogen 3.082 N/A GLU 646.A N LEU 642.A O no hydrogen 3.116 N/A ILE 647.A N VAL 643.A O no hydrogen 2.948 N/A LEU 648.A N ARG 644.A O no hydrogen 2.766 N/A PHE 649.A N LEU 645.A O no hydrogen 2.982 N/A LYS 650.A N GLU 646.A O no hydrogen 3.196 N/A LYS 650.A NZ GLU 498.A OE2 no hydrogen 2.819 N/A LYS 650.A NZ GLU 646.A OE2 no hydrogen 2.810 N/A ILE 651.A N ILE 647.A O no hydrogen 2.838 N/A PHE 652.A N LEU 648.A O no hydrogen 3.056 N/A LYS 653.A N PHE 649.A O no hydrogen 2.966 N/A THR 660.A N ASP 656.A OD1 no hydrogen 3.380 N/A THR 660.A N GLU 658.A O no hydrogen 2.471 N/A THR 660.A OG1 ASP 656.A OD1 no hydrogen 2.626 N/A THR 660.A OG1 THR 662.A O no hydrogen 3.567 N/A SER 669.A N ASP 666.A OD1 no hydrogen 3.403 N/A SER 669.A OG ASP 666.A OD1 no hydrogen 2.652 N/A TRP 670.A N ASP 666.A O no hydrogen 2.795 N/A LEU 671.A N LEU 667.A O no hydrogen 2.967 N/A PHE 673.A N SER 669.A O no hydrogen 2.791 N/A SER 674.A N TRP 670.A O no hydrogen 3.007 N/A SER 674.A OG TRP 670.A O no hydrogen 2.777 N/A VAL 675.A N LEU 671.A O no hydrogen 3.342 N/A LEU 676.A N SER 672.A O no hydrogen 2.921 N/A GLY 677.A N PHE 673.A O no hydrogen 3.189 N/A LYS 678.A NZ ASP 558.A O no hydrogen 3.182 N/A LYS 678.A NZ MET 559.A O no hydrogen 3.383 N/A