Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3af5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A N ARG 167.A O no hydrogen 2.914 N/A GLN 5.A N GLN 2.A O no hydrogen 3.310 N/A ILE 6.A N VAL 3.A O no hydrogen 2.951 N/A LEU 7.A N VAL 3.A O no hydrogen 2.862 N/A ARG 8.A N ASP 4.A O no hydrogen 2.995 N/A ILE 10.A N ILE 6.A O no hydrogen 3.152 N/A ARG 11.A N LEU 7.A O no hydrogen 2.924 N/A ARG 11.A NE ILE 27.A O no hydrogen 3.270 N/A ARG 11.A NH2 ILE 27.A O no hydrogen 3.117 N/A VAL 13.A N ASP 9.A O no hydrogen 3.448 N/A VAL 14.A N ILE 10.A O no hydrogen 2.900 N/A ASN 15.A ND2 ARG 11.A O no hydrogen 2.520 N/A GLN 16.A N VAL 13.A O no hydrogen 3.206 N/A MET 17.A N VAL 14.A O no hydrogen 3.362 N/A GLU 21.A N GLU 21.A OE2 no hydrogen 2.759 N/A ALA 22.A N PRO 19.A O no hydrogen 2.545 N/A THR 25.A N TYR 37.A O no hydrogen 2.870 N/A THR 25.A OG1 TYR 37.A O no hydrogen 3.408 N/A THR 25.A OG1 ASP 62.A OD2 no hydrogen 2.826 N/A GLU 28.A N VAL 35.A O no hydrogen 3.073 N/A GLU 30.A N GLU 33.A O no hydrogen 2.905 N/A GLY 31.A N LEU 158.A O no hydrogen 2.744 N/A LEU 34.A N ARG 56.A O no hydrogen 2.717 N/A VAL 35.A N GLU 28.A O no hydrogen 2.894 N/A ILE 36.A N SER 58.A O no hydrogen 3.030 N/A TYR 37.A N GLU 26.A O no hydrogen 2.887 N/A TYR 37.A OH GLU 30.A OE2 no hydrogen 2.879 N/A VAL 38.A N ARG 60.A O no hydrogen 2.676 N/A LYS 39.A N LYS 23.A O no hydrogen 3.210 N/A LYS 39.A NZ GLU 64.A OE2 no hydrogen 3.150 N/A ASN 40.A ND2 ASN 40.A O no hydrogen 2.432 N/A ASP 48.A N LEU 45.A O no hydrogen 3.118 N/A LEU 49.A N LEU 45.A O no hydrogen 2.872 N/A ALA 50.A N ILE 46.A O no hydrogen 2.938 N/A VAL 52.A N ASP 48.A O no hydrogen 2.948 N/A LEU 53.A N LEU 49.A O no hydrogen 3.082 N/A ARG 56.A NH1 PRO 32.A O no hydrogen 3.422 N/A SER 58.A N LEU 34.A O no hydrogen 2.827 N/A ARG 60.A N ILE 36.A O no hydrogen 3.014 N/A ARG 60.A NE SER 58.A OG no hydrogen 3.306 N/A ASP 62.A N VAL 38.A O no hydrogen 3.358 N/A GLU 64.A N ASP 62.A OD1 no hydrogen 2.764 N/A VAL 65.A N ASP 62.A O no hydrogen 3.073 N/A GLU 71.A N PRO 68.A O no hydrogen 3.186 N/A ALA 72.A N PRO 68.A O no hydrogen 2.879 N/A GLU 73.A N PRO 69.A O no hydrogen 3.044 N/A LYS 74.A N GLU 71.A O no hydrogen 2.868 N/A LEU 75.A N GLU 71.A O no hydrogen 3.411 N/A ILE 76.A N ALA 72.A O no hydrogen 3.199 N/A ILE 79.A N LEU 75.A O no hydrogen 3.028 N/A ALA 84.A N PRO 81.A O no hydrogen 2.957 N/A GLU 85.A N LYS 82.A O no hydrogen 3.329 N/A ASN 88.A N GLU 101.A O no hydrogen 3.292 N/A ALA 90.A N LEU 99.A O no hydrogen 2.736 N/A ASP 92.A N GLU 97.A O no hydrogen 3.036 N/A SER 94.A OG ASP 92.A OD1 no hydrogen 2.964 N/A SER 94.A OG ASP 92.A OD2 no hydrogen 3.214 N/A VAL 95.A N ASP 92.A O no hydrogen 2.893 N/A VAL 98.A N ALA 126.A O no hydrogen 2.636 N/A LEU 99.A N ALA 90.A O no hydrogen 2.769 N/A ILE 100.A N LYS 128.A O no hydrogen 2.872 N/A GLU 101.A N ASN 88.A O no hydrogen 2.779 N/A ALA 102.A N VAL 130.A O no hydrogen 3.067 N/A LYS 103.A N GLU 85.A O no hydrogen 3.007 N/A LYS 104.A N ALA 84.A O no hydrogen 3.185 N/A ILE 109.A N PRO 105.A O no hydrogen 3.023 N/A ILE 109.A N GLY 106.A O no hydrogen 3.239 N/A LYS 111.A NZ LEU 107.A O no hydrogen 3.508 N/A LYS 111.A NZ THR 115.A OG1 no hydrogen 3.162 N/A GLY 113.A N GLY 110.A O no hydrogen 2.880 N/A LEU 118.A N GLU 114.A O no hydrogen 2.744 N/A ILE 119.A N THR 115.A O no hydrogen 3.258 N/A THR 120.A N LEU 116.A O no hydrogen 3.159 N/A THR 120.A OG1 TRP 125.A O no hydrogen 3.444 N/A GLN 121.A N ARG 117.A O no hydrogen 3.183 N/A TRP 125.A NE1 LEU 67.A O no hydrogen 2.705 N/A ALA 126.A N GLY 96.A O no hydrogen 3.309 N/A LYS 128.A N VAL 98.A O no hydrogen 2.951 N/A LYS 128.A NZ GLU 97.A OE1 no hydrogen 3.020 N/A VAL 130.A N ILE 100.A O no hydrogen 2.748 N/A ARG 131.A NH1 PHE 472.A O no hydrogen 2.695 N/A THR 132.A N ALA 102.A O no hydrogen 2.990 N/A GLN 136.A N GLN 136.A OE1 no hydrogen 2.538 N/A SER 137.A OG GLU 451.A OE1 no hydrogen 2.549 N/A GLN 138.A N GLU 451.A OE2 no hydrogen 3.190 N/A THR 139.A N GLU 451.A OE1 no hydrogen 2.899 N/A THR 139.A OG1 GLU 451.A OE1 no hydrogen 2.783 N/A ILE 140.A N SER 137.A OG no hydrogen 3.016 N/A TYR 141.A N SER 137.A O no hydrogen 3.046 N/A SER 142.A N GLN 138.A O no hydrogen 2.852 N/A ILE 143.A N THR 139.A O no hydrogen 2.939 N/A ARG 144.A N ILE 140.A O no hydrogen 3.091 N/A GLN 145.A N TYR 141.A O no hydrogen 3.044 N/A ILE 146.A N SER 142.A O no hydrogen 3.148 N/A LEU 147.A N ILE 143.A O no hydrogen 3.022 N/A GLN 148.A N ARG 144.A O no hydrogen 3.305 N/A THR 149.A N GLN 145.A O no hydrogen 3.252 N/A THR 149.A OG1 GLN 145.A O no hydrogen 3.127 N/A THR 149.A OG1 ILE 146.A O no hydrogen 3.479 N/A GLU 150.A N ILE 146.A O no hydrogen 3.065 N/A ARG 154.A N GLU 150.A O no hydrogen 3.110 N/A ARG 154.A NH1 LYS 305.A O no hydrogen 2.817 N/A ARG 154.A NH1 THR 307.A O no hydrogen 2.639 N/A ARG 154.A NH2 THR 307.A O no hydrogen 3.206 N/A ARG 155.A N SER 151.A O no hydrogen 3.090 N/A LYS 156.A N LYS 152.A O no hydrogen 3.318 N/A PHE 157.A N ASP 153.A O no hydrogen 2.797 N/A LEU 158.A N ARG 154.A O no hydrogen 2.739 N/A ARG 159.A N ARG 155.A O no hydrogen 3.334 N/A ARG 159.A N LYS 156.A O no hydrogen 3.211 N/A GLN 160.A N LYS 156.A O no hydrogen 3.167 N/A VAL 161.A N PHE 157.A O no hydrogen 3.057 N/A GLY 162.A N LEU 158.A O no hydrogen 3.104 N/A ARG 163.A N ARG 159.A O no hydrogen 2.940 N/A ASN 164.A N GLN 160.A O no hydrogen 3.051 N/A ASN 164.A N VAL 161.A O no hydrogen 2.994 N/A ILE 165.A N VAL 161.A O no hydrogen 2.785 N/A TYR 166.A N GLY 162.A O no hydrogen 3.146 N/A TYR 166.A OH ASP 317.A OD1 no hydrogen 3.222 N/A ARG 167.A N ASN 164.A O no hydrogen 3.050 N/A ARG 167.A NE GLU 198.A OE2 no hydrogen 2.809 N/A ARG 167.A NH1 ASN 164.A O no hydrogen 3.031 N/A ARG 167.A NH1 ASP 237.A OD1 no hydrogen 2.931 N/A ARG 167.A NH2 GLU 198.A O no hydrogen 2.970 N/A ARG 167.A NH2 GLU 198.A OE2 no hydrogen 3.541 N/A ARG 167.A NH2 ASP 237.A OD1 no hydrogen 3.332 N/A ARG 167.A NH2 ASP 237.A OD2 no hydrogen 3.288 N/A LYS 168.A NZ GLU 198.A OE1 no hydrogen 3.489 N/A TYR 171.A N PRO 320.A O no hydrogen 3.066 N/A TYR 171.A OH ASP 197.A OD1 no hydrogen 2.481 N/A SER 173.A OG ASP 321.A OD2 no hydrogen 2.622 N/A ARG 174.A N ASP 197.A OD2 no hydrogen 2.628 N/A ARG 177.A N GLN 195.A O no hydrogen 2.837 N/A ARG 177.A NH1 GLN 195.A OE1 no hydrogen 2.804 N/A ILE 178.A N ILE 635.A O no hydrogen 2.955 N/A THR 179.A N LEU 193.A O no hydrogen 2.930 N/A THR 179.A OG1 THR 634.A OG1 no hydrogen 2.716 N/A GLY 180.A N ASP 633.A O no hydrogen 3.314 N/A LEU 181.A N ALA 191.A O no hydrogen 2.727 N/A GLY 182.A N ALA 191.A O no hydrogen 3.167 N/A GLY 183.A N GLU 186.A OE2 no hydrogen 3.144 N/A PHE 184.A N ASN 631.A OD1 no hydrogen 2.869 N/A ARG 185.A NE ALA 628.A O no hydrogen 2.726 N/A ARG 185.A NH2 ALA 628.A O no hydrogen 2.969 N/A ARG 189.A N VAL 207.A O no hydrogen 3.139 N/A ARG 189.A NE GLU 186.A OE2 no hydrogen 2.529 N/A ARG 189.A NH1 TYR 216.A O no hydrogen 2.921 N/A ARG 189.A NH1 PHE 219.A O no hydrogen 2.783 N/A ARG 189.A NH2 GLU 186.A OE1 no hydrogen 3.079 N/A SER 190.A N ASP 247.A O no hydrogen 2.983 N/A ALA 191.A N GLY 182.A O no hydrogen 2.770 N/A LEU 192.A N VAL 203.A O no hydrogen 3.203 N/A LEU 193.A N THR 179.A O no hydrogen 2.814 N/A VAL 194.A N VAL 201.A O no hydrogen 2.826 N/A GLN 195.A N ARG 177.A O no hydrogen 2.786 N/A THR 196.A N SER 199.A O no hydrogen 3.111 N/A THR 196.A OG1 ASP 321.A OD2 no hydrogen 2.864 N/A GLU 198.A N THR 196.A OG1 no hydrogen 2.928 N/A SER 199.A N THR 196.A OG1 no hydrogen 2.705 N/A SER 199.A OG SER 319.A OG no hydrogen 2.755 N/A SER 199.A OG ASP 321.A OD1 no hydrogen 2.732 N/A PHE 200.A N ASP 237.A OD2 no hydrogen 3.147 N/A VAL 201.A N VAL 194.A O no hydrogen 3.086 N/A LEU 202.A N ALA 238.A O no hydrogen 2.757 N/A VAL 203.A N LEU 192.A O no hydrogen 2.856 N/A ASP 204.A N ILE 240.A O no hydrogen 2.663 N/A PHE 205.A N HIS 248.A O no hydrogen 2.805 N/A GLY 206.A N SER 190.A O no hydrogen 2.889 N/A VAL 207.A N LEU 246.A O no hydrogen 3.094 N/A ASN 208.A N ALA 218.A O no hydrogen 2.860 N/A ALA 210.A N ASN 208.A OD1 no hydrogen 3.059 N/A MET 211.A N ASN 208.A O no hydrogen 2.828 N/A LEU 212.A N VAL 209.A O no hydrogen 3.424 N/A ASP 214.A N MET 211.A O no hydrogen 2.913 N/A TYR 216.A N ASP 214.A OD2 no hydrogen 3.061 N/A LYS 217.A N ASP 214.A O no hydrogen 2.807 N/A ALA 218.A N ASP 214.A O no hydrogen 2.783 N/A PHE 219.A N PRO 215.A O no hydrogen 3.449 N/A HIS 221.A N LEU 181.A O no hydrogen 2.845 N/A ALA 224.A N HIS 221.A O no hydrogen 3.219 N/A GLU 226.A N GLU 226.A OE2 no hydrogen 2.768 N/A GLN 228.A N ALA 224.A O no hydrogen 2.911 N/A GLN 228.A NE2 PHE 222.A O no hydrogen 2.973 N/A TYR 229.A N PRO 225.A O no hydrogen 2.956 N/A VAL 230.A N GLU 226.A O no hydrogen 3.020 N/A LEU 231.A N PHE 227.A O no hydrogen 3.010 N/A ARG 232.A N GLN 228.A O no hydrogen 2.960 N/A ARG 232.A NE GLN 228.A OE1 no hydrogen 2.749 N/A GLU 233.A N TYR 229.A O no hydrogen 3.032 N/A GLY 234.A N LEU 231.A O no hydrogen 2.965 N/A LEU 235.A N VAL 230.A O no hydrogen 2.853 N/A ASP 237.A N PHE 200.A O no hydrogen 2.821 N/A ILE 239.A N PRO 264.A O no hydrogen 3.137 N/A ILE 240.A N LEU 202.A O no hydrogen 2.715 N/A ILE 241.A N TYR 266.A O no hydrogen 3.145 N/A THR 242.A N ASP 204.A OD1 no hydrogen 2.790 N/A THR 242.A OG1 ASP 204.A OD1 no hydrogen 3.297 N/A THR 242.A OG1 ASP 204.A OD2 no hydrogen 2.942 N/A THR 242.A OG1 HIS 243.A ND1 no hydrogen 2.860 N/A HIS 243.A ND1 THR 242.A OG1 no hydrogen 2.860 N/A HIS 245.A NE2 VAL 420.A O no hydrogen 3.023 N/A HIS 248.A N HIS 245.A O no hydrogen 2.974 N/A HIS 248.A ND1 ASP 204.A OD2 no hydrogen 2.690 N/A HIS 248.A NE2 HIS 605.A NE2 no hydrogen 3.186 N/A CYS 249.A N HIS 245.A O no hydrogen 3.027 N/A CYS 249.A SG ALA 244.A O no hydrogen 2.999 N/A CYS 249.A SG HIS 245.A O no hydrogen 3.228 N/A GLY 250.A N LEU 246.A O no hydrogen 2.763 N/A MET 251.A N PHE 205.A O no hydrogen 2.914 N/A LEU 252.A N CYS 249.A O no hydrogen 3.137 N/A TYR 254.A N MET 251.A O no hydrogen 2.955 N/A LEU 255.A N LEU 252.A O no hydrogen 3.100 N/A PHE 256.A N PRO 253.A O no hydrogen 3.227 N/A ARG 257.A N PRO 253.A O no hydrogen 3.113 N/A ARG 257.A NH1 LEU 294.A O no hydrogen 2.527 N/A TYR 258.A N TYR 254.A O no hydrogen 3.227 N/A ASN 259.A N PHE 256.A O no hydrogen 2.944 N/A LEU 260.A N LEU 255.A O no hydrogen 2.839 N/A ILE 265.A N HIS 306.A O no hydrogen 2.899 N/A TYR 266.A N ILE 239.A O no hydrogen 2.775 N/A THR 267.A N ILE 308.A O no hydrogen 3.453 N/A THR 267.A OG1 ILE 241.A O no hydrogen 3.012 N/A THR 268.A OG1 THR 271.A OG1 no hydrogen 2.972 N/A THR 268.A OG1 GLY 334.A O no hydrogen 2.851 N/A THR 271.A OG1 THR 268.A OG1 no hydrogen 2.972 N/A THR 271.A OG1 GLY 334.A O no hydrogen 3.149 N/A ARG 272.A N THR 268.A O no hydrogen 3.017 N/A ARG 272.A NE ASP 273.A OD2 no hydrogen 2.742 N/A ASP 273.A N PRO 269.A O no hydrogen 3.141 N/A LEU 274.A N PRO 270.A O no hydrogen 2.898 N/A MET 275.A N THR 271.A O no hydrogen 2.838 N/A VAL 276.A N ARG 272.A O no hydrogen 3.199 N/A LEU 277.A N ASP 273.A O no hydrogen 3.078 N/A LEU 278.A N LEU 274.A O no hydrogen 2.818 N/A GLN 279.A N MET 275.A O no hydrogen 2.886 N/A LYS 280.A N VAL 276.A O no hydrogen 3.093 N/A ASP 281.A N LEU 277.A O no hydrogen 2.917 N/A PHE 282.A N LEU 278.A O no hydrogen 2.847 N/A ILE 283.A N GLN 279.A O no hydrogen 3.195 N/A GLU 284.A N LYS 280.A O no hydrogen 3.144 N/A GLU 284.A N ASP 281.A O no hydrogen 3.186 N/A ILE 285.A N ASP 281.A O no hydrogen 2.945 N/A GLN 286.A N PHE 282.A O no hydrogen 3.145 N/A GLN 287.A N ILE 283.A O no hydrogen 3.276 N/A SER 288.A N GLU 284.A O no hydrogen 2.886 N/A SER 288.A OG GLU 284.A O no hydrogen 3.520 N/A SER 288.A OG ILE 285.A O no hydrogen 2.794 N/A ASN 289.A N GLN 286.A O no hydrogen 3.094 N/A ASN 289.A ND2 ILE 285.A O no hydrogen 3.151 N/A GLY 290.A N GLN 287.A O no hydrogen 2.816 N/A GLN 291.A N GLN 286.A O no hydrogen 2.937 N/A LEU 294.A N GLN 286.A OE1 no hydrogen 3.275 N/A TYR 295.A OH GLY 250.A O no hydrogen 2.823 N/A ARG 296.A N ASP 299.A OD2 no hydrogen 3.069 N/A ASP 299.A N ARG 296.A O no hydrogen 2.697 N/A ILE 300.A N ARG 296.A O no hydrogen 3.297 N/A LYS 301.A N PRO 297.A O no hydrogen 2.889 N/A LYS 301.A NZ GLU 150.A OE1 no hydrogen 2.975 N/A GLU 302.A N ARG 298.A O no hydrogen 3.263 N/A VAL 303.A N ASP 299.A O no hydrogen 3.053 N/A ILE 304.A N ILE 300.A O no hydrogen 3.195 N/A LYS 305.A N LYS 301.A O no hydrogen 3.092 N/A LYS 305.A NZ GLU 150.A OE2 no hydrogen 3.536 N/A LYS 305.A NZ ASP 153.A OD2 no hydrogen 2.715 N/A LYS 305.A NZ GLU 302.A OE2 no hydrogen 3.193 N/A HIS 306.A N GLU 302.A O no hydrogen 2.978 N/A HIS 306.A N VAL 303.A O no hydrogen 3.022 N/A HIS 306.A ND1 GLU 302.A O no hydrogen 2.945 N/A THR 307.A N ILE 304.A O no hydrogen 3.277 N/A THR 307.A OG1 VAL 303.A O no hydrogen 2.732 N/A ILE 308.A N ILE 265.A O no hydrogen 2.973 N/A LEU 310.A N THR 267.A O no hydrogen 2.968 N/A ASP 311.A N GLU 314.A OE2 no hydrogen 3.003 N/A TYR 312.A OH SER 335.A O no hydrogen 2.810 N/A GLY 313.A N LEU 326.A O no hydrogen 2.970 N/A GLU 314.A N ASP 311.A O no hydrogen 3.306 N/A ARG 316.A N LEU 324.A O no hydrogen 2.915 N/A ARG 316.A NH1 VAL 315.A O no hydrogen 2.755 N/A ILE 318.A N ILE 322.A O no hydrogen 2.936 N/A SER 319.A OG SER 199.A OG no hydrogen 2.755 N/A SER 319.A OG ASP 321.A OD1 no hydrogen 3.327 N/A ILE 322.A N SER 319.A O no hydrogen 3.410 N/A ARG 323.A N HIS 341.A O no hydrogen 2.941 N/A LEU 324.A N ARG 316.A O no hydrogen 2.675 N/A THR 325.A N HIS 339.A O no hydrogen 3.155 N/A HIS 327.A N ILE 337.A O no hydrogen 3.098 N/A ALA 329.A N SER 335.A O no hydrogen 3.046 N/A HIS 331.A N SER 335.A OG no hydrogen 2.870 N/A HIS 331.A ND1 GLY 580.A O no hydrogen 2.781 N/A ILE 332.A N SER 335.A OG no hydrogen 3.198 N/A SER 335.A N ILE 332.A O no hydrogen 2.822 N/A SER 335.A OG ILE 332.A O no hydrogen 2.992 N/A ALA 336.A N THR 242.A O no hydrogen 2.716 N/A ILE 337.A N HIS 327.A O no hydrogen 2.679 N/A VAL 338.A N ILE 351.A O no hydrogen 2.694 N/A HIS 339.A N THR 325.A O no hydrogen 2.979 N/A HIS 339.A NE2 ARG 372.A O no hydrogen 2.971 N/A LEU 340.A N ILE 349.A O no hydrogen 2.870 N/A HIS 341.A N ARG 323.A O no hydrogen 2.836 N/A GLY 343.A N ASP 321.A O no hydrogen 2.713 N/A GLY 345.A N ILE 342.A O no hydrogen 3.041 N/A LEU 346.A N ASN 344.A OD1 no hydrogen 2.627 N/A HIS 347.A ND1 GLU 374.A OE1 no hydrogen 2.856 N/A HIS 347.A ND1 GLU 374.A OE2 no hydrogen 2.804 N/A ILE 349.A N LEU 340.A O no hydrogen 3.256 N/A ALA 350.A N THR 375.A O no hydrogen 2.827 N/A ILE 351.A N VAL 338.A O no hydrogen 2.680 N/A THR 352.A N VAL 377.A O no hydrogen 2.887 N/A PHE 355.A N GLU 379.A OE2 no hydrogen 2.943 N/A LYS 356.A N ALA 329.A O no hydrogen 2.876 N/A LYS 356.A NZ SER 579.A O no hydrogen 3.472 N/A LYS 356.A NZ HIS 581.A O no hydrogen 2.910 N/A LYS 356.A NZ GLU 586.A OE2 no hydrogen 2.839 N/A PHE 357.A N GLU 586.A OE1 no hydrogen 3.100 N/A THR 360.A N LEU 363.A O no hydrogen 2.927 N/A THR 360.A OG1 LEU 363.A O no hydrogen 3.284 N/A ARG 361.A N GLU 425.A OE2 no hydrogen 3.002 N/A LEU 362.A N GLU 425.A OE1 no hydrogen 3.503 N/A LEU 363.A N THR 360.A OG1 no hydrogen 3.140 N/A ALA 366.A N LYS 356.A O no hydrogen 2.837 N/A ASN 367.A N ASN 328.A O no hydrogen 2.981 N/A LYS 369.A N ASN 367.A OD1 no hydrogen 3.170 N/A PHE 370.A N ARG 595.A O no hydrogen 2.821 N/A ARG 372.A NE GLY 345.A O no hydrogen 3.250 N/A GLU 374.A N ASN 348.A O no hydrogen 2.950 N/A THR 375.A N ASN 348.A O no hydrogen 2.835 N/A LEU 376.A N ARG 600.A O no hydrogen 2.918 N/A VAL 377.A N ALA 350.A O no hydrogen 2.822 N/A MET 378.A N ILE 602.A O no hydrogen 2.940 N/A SER 380.A N HIS 605.A O no hydrogen 2.946 N/A SER 380.A OG VAL 604.A O no hydrogen 2.930 N/A THR 381.A N GLU 379.A OE1 no hydrogen 3.320 N/A THR 381.A OG1 GLU 379.A OE1 no hydrogen 2.678 N/A THR 381.A OG1 HIS 605.A ND1 no hydrogen 3.089 N/A THR 381.A OG1 HIS 605.A O no hydrogen 3.512 N/A GLY 383.A N SER 380.A O no hydrogen 2.759 N/A GLY 384.A N ASP 387.A OD2 no hydrogen 2.829 N/A ALA 385.A N ASP 613.A OD2 no hydrogen 3.280 N/A ASP 387.A N GLY 384.A O no hydrogen 2.942 N/A GLN 389.A N ASP 583.A OD2 no hydrogen 2.855 N/A MET 390.A N ASP 576.A OD1 no hydrogen 2.818 N/A ARG 392.A NH2 SER 579.A O no hydrogen 2.558 N/A GLU 394.A N PRO 391.A O no hydrogen 2.822 N/A ALA 395.A N PRO 391.A O no hydrogen 3.075 N/A GLU 396.A N ARG 392.A O no hydrogen 3.259 N/A LYS 397.A N GLU 393.A O no hydrogen 3.159 N/A ARG 398.A N GLU 394.A O no hydrogen 2.914 N/A LEU 399.A N ALA 395.A O no hydrogen 2.757 N/A ILE 400.A N GLU 396.A O no hydrogen 3.050 N/A GLU 401.A N LYS 397.A O no hydrogen 2.912 N/A VAL 402.A N ARG 398.A O no hydrogen 2.879 N/A ILE 403.A N LEU 399.A O no hydrogen 2.914 N/A HIS 404.A N ILE 400.A O no hydrogen 2.971 N/A ASN 405.A N GLU 401.A O no hydrogen 3.117 N/A THR 406.A N VAL 402.A O no hydrogen 2.973 N/A THR 406.A OG1 VAL 402.A O no hydrogen 2.963 N/A THR 406.A OG1 SER 531.A OG no hydrogen 2.948 N/A ILE 407.A N ILE 403.A O no hydrogen 2.799 N/A LYS 408.A N HIS 404.A O no hydrogen 2.978 N/A ARG 409.A N ASN 405.A O no hydrogen 2.995 N/A ARG 409.A NE LYS 529.A O no hydrogen 3.102 N/A ARG 409.A NH2 THR 406.A OG1 no hydrogen 3.127 N/A ARG 409.A NH2 SER 531.A OG no hydrogen 3.309 N/A ARG 409.A NH2 GLU 571.A OE1 no hydrogen 2.667 N/A GLY 411.A N THR 406.A O no hydrogen 3.055 N/A LYS 412.A N ASN 530.A OD1 no hydrogen 2.955 N/A LYS 412.A NZ SER 499.A O no hydrogen 3.495 N/A VAL 413.A N ALA 503.A O no hydrogen 2.813 N/A LEU 414.A N SER 531.A O no hydrogen 2.746 N/A ILE 415.A N ILE 505.A O no hydrogen 2.637 N/A ALA 417.A N ALA 507.A O no hydrogen 2.985 N/A ARG 422.A NH1 PHE 578.A O no hydrogen 2.758 N/A ARG 422.A NH2 HIS 331.A O no hydrogen 3.210 N/A GLN 424.A NE2 ALA 419.A O no hydrogen 3.560 N/A GLN 424.A NE2 GLY 421.A O no hydrogen 3.344 N/A GLU 425.A N GLY 421.A O no hydrogen 3.399 N/A VAL 426.A N ARG 422.A O no hydrogen 2.771 N/A MET 427.A N ALA 423.A O no hydrogen 2.918 N/A MET 428.A N GLN 424.A O no hydrogen 2.983 N/A VAL 429.A N GLU 425.A O no hydrogen 3.165 N/A LEU 430.A N VAL 426.A O no hydrogen 2.929 N/A GLU 431.A N MET 427.A O no hydrogen 2.793 N/A GLU 432.A N MET 428.A O no hydrogen 2.982 N/A TYR 433.A N VAL 429.A O no hydrogen 3.319 N/A TYR 433.A OH HIS 404.A NE2 no hydrogen 3.129 N/A ALA 434.A N LEU 430.A O no hydrogen 2.796 N/A ARG 435.A N GLU 431.A O no hydrogen 3.017 N/A ILE 436.A N TYR 433.A O no hydrogen 3.474 N/A GLY 437.A N ALA 434.A O no hydrogen 2.616 N/A GLY 438.A N TYR 433.A O no hydrogen 2.971 N/A TYR 444.A N ILE 504.A O no hydrogen 2.872 N/A LEU 445.A N HIS 485.A O no hydrogen 2.947 N/A ASP 446.A N ILE 506.A O no hydrogen 3.023 N/A ALA 452.A N MET 448.A O no hydrogen 2.976 N/A THR 453.A N ILE 449.A O no hydrogen 2.952 N/A THR 453.A OG1 GLN 424.A OE1 no hydrogen 3.536 N/A THR 453.A OG1 ILE 449.A O no hydrogen 2.505 N/A ALA 454.A N TRP 450.A O no hydrogen 2.906 N/A ILE 455.A N GLU 451.A O no hydrogen 3.246 N/A HIS 456.A N ALA 452.A O no hydrogen 3.214 N/A HIS 456.A N THR 453.A O no hydrogen 3.035 N/A HIS 456.A ND1 ALA 452.A O no hydrogen 2.970 N/A THR 457.A N THR 453.A O no hydrogen 3.319 N/A THR 457.A OG1 ALA 454.A O no hydrogen 2.691 N/A ALA 458.A N ILE 455.A O no hydrogen 3.272 N/A TYR 459.A N HIS 456.A O no hydrogen 2.977 N/A TYR 459.A OH ASP 273.A OD1 no hydrogen 2.599 N/A GLU 461.A N GLU 461.A OE1 no hydrogen 2.621 N/A TYR 462.A N TYR 459.A O no hydrogen 2.859 N/A TYR 462.A OH ASP 311.A OD1 no hydrogen 2.567 N/A LEU 463.A N PRO 460.A O no hydrogen 2.884 N/A SER 464.A N LEU 362.A O no hydrogen 2.824 N/A ARG 465.A N GLU 364.A OE2 no hydrogen 3.030 N/A ARG 465.A NE GLU 364.A OE2 no hydrogen 3.082 N/A ARG 465.A NH2 GLU 364.A OE1 no hydrogen 3.466 N/A LEU 467.A N SER 464.A OG no hydrogen 3.402 N/A ARG 468.A N SER 464.A O no hydrogen 2.733 N/A GLU 469.A N ARG 465.A O no hydrogen 3.391 N/A GLN 470.A N ARG 466.A O no hydrogen 3.415 N/A ILE 471.A N ARG 468.A O no hydrogen 3.162 N/A GLU 474.A N GLU 469.A O no hydrogen 3.391 N/A PHE 479.A N ASN 477.A OD1 no hydrogen 3.168 N/A LEU 480.A N ASN 477.A O no hydrogen 3.170 N/A SER 481.A N PRO 478.A O no hydrogen 3.036 N/A ILE 483.A N SER 481.A OG no hydrogen 3.211 N/A HIS 485.A N ILE 443.A O no hydrogen 2.688 N/A VAL 487.A N LEU 445.A O no hydrogen 2.885 N/A ALA 488.A N GLU 492.A OE1 no hydrogen 2.670 N/A ARG 491.A N ASN 489.A OD1 no hydrogen 3.191 N/A GLU 492.A N ASN 489.A OD1 no hydrogen 3.282 N/A ARG 493.A N ASN 489.A O no hydrogen 3.010 N/A ARG 493.A NE ASP 446.A OD2 no hydrogen 2.884 N/A ARG 493.A NH1 ASP 446.A OD1 no hydrogen 3.316 N/A ARG 493.A NH1 ASP 446.A OD2 no hydrogen 3.480 N/A ARG 493.A NH2 SER 490.A OG no hydrogen 3.043 N/A ARG 493.A NH2 GLU 519.A OE2 no hydrogen 3.527 N/A GLN 494.A N SER 490.A O no hydrogen 3.069 N/A GLN 494.A NE2 ASP 498.A OD1 no hydrogen 3.069 N/A GLN 494.A NE2 ASP 498.A OD2 no hydrogen 3.408 N/A GLN 494.A NE2 GLN 523.A OE1 no hydrogen 2.828 N/A ASP 495.A N ARG 491.A O no hydrogen 2.784 N/A ILE 496.A N GLU 492.A O no hydrogen 2.764 N/A ILE 497.A N ARG 493.A O no hydrogen 3.207 N/A ASP 498.A N GLN 494.A O no hydrogen 2.971 N/A SER 499.A N ASP 495.A O no hydrogen 2.797 N/A GLU 501.A N SER 499.A OG no hydrogen 3.185 N/A ILE 504.A N PRO 442.A O no hydrogen 2.972 N/A ILE 505.A N VAL 413.A O no hydrogen 2.538 N/A ILE 506.A N TYR 444.A O no hydrogen 3.032 N/A ALA 507.A N ILE 415.A O no hydrogen 3.174 N/A SER 508.A N ASP 446.A O no hydrogen 3.079 N/A SER 508.A OG GLY 447.A O no hydrogen 3.500 N/A SER 508.A OG SER 509.A OG no hydrogen 3.024 N/A SER 509.A N GLY 514.A O no hydrogen 3.205 N/A SER 509.A OG SER 508.A OG no hydrogen 3.024 N/A LEU 512.A N SER 509.A O no hydrogen 3.422 N/A SER 517.A N SER 508.A O no hydrogen 2.859 N/A SER 517.A OG SER 509.A O no hydrogen 2.782 N/A VAL 518.A N GLY 515.A O no hydrogen 3.095 N/A TYR 520.A N PRO 516.A O no hydrogen 3.059 N/A TYR 520.A OH ASP 446.A OD2 no hydrogen 2.636 N/A PHE 521.A N SER 517.A O no hydrogen 2.954 N/A LYS 522.A N VAL 518.A O no hydrogen 3.097 N/A GLN 523.A N GLU 519.A O no hydrogen 3.130 N/A GLN 523.A NE2 GLN 494.A OE1 no hydrogen 3.248 N/A LEU 524.A N TYR 520.A O no hydrogen 2.892 N/A LEU 524.A N PHE 521.A O no hydrogen 3.162 N/A ALA 525.A N PHE 521.A O no hydrogen 2.671 N/A ASP 527.A N LEU 524.A O no hydrogen 3.263 N/A LYS 529.A N ASP 527.A OD1 no hydrogen 2.781 N/A ASN 530.A N ASP 527.A O no hydrogen 3.266 N/A ASN 530.A ND2 LEU 524.A O no hydrogen 2.996 N/A ASN 530.A ND2 ASP 527.A O no hydrogen 3.547 N/A SER 531.A N LYS 412.A O no hydrogen 2.875 N/A SER 531.A OG THR 406.A OG1 no hydrogen 2.948 N/A ILE 532.A N GLU 571.A O no hydrogen 2.927 N/A ILE 533.A N LEU 414.A O no hydrogen 2.842 N/A PHE 534.A N HIS 573.A O no hydrogen 2.881 N/A TYR 537.A OH GLU 607.A OE1 no hydrogen 2.609 N/A THR 542.A N ALA 539.A O no hydrogen 3.292 N/A THR 542.A OG1 ALA 539.A O no hydrogen 2.634 N/A GLY 544.A N MET 511.A O no hydrogen 3.014 N/A ARG 545.A N THR 542.A OG1 no hydrogen 2.987 N/A ARG 545.A NE GLN 538.A O no hydrogen 2.673 N/A ARG 545.A NH1 GLU 607.A OE1 no hydrogen 3.537 N/A ARG 545.A NH2 GLN 538.A O no hydrogen 2.785 N/A ARG 545.A NH2 GLU 607.A OE1 no hydrogen 2.819 N/A GLN 546.A N THR 542.A O no hydrogen 3.345 N/A GLN 546.A N LEU 543.A O no hydrogen 2.867 N/A VAL 547.A N LEU 543.A O no hydrogen 2.945 N/A GLN 548.A N GLY 544.A O no hydrogen 2.930 N/A SER 549.A N ARG 545.A O no hydrogen 3.130 N/A SER 549.A N GLN 546.A O no hydrogen 3.006 N/A SER 549.A OG ARG 545.A O no hydrogen 2.697 N/A GLY 550.A N VAL 547.A O no hydrogen 2.973 N/A ARG 552.A NE VAL 568.A O no hydrogen 3.051 N/A ARG 552.A NH2 VAL 568.A O no hydrogen 3.370 N/A ILE 554.A N ILE 566.A O no hydrogen 3.007 N/A MET 556.A N GLU 564.A O no hydrogen 2.597 N/A GLY 558.A N ARG 562.A O no hydrogen 2.767 N/A ARG 562.A N GLU 559.A O no hydrogen 3.101 N/A ARG 562.A NH2 GLU 560.A OE1 no hydrogen 2.610 N/A GLU 564.A N MET 556.A O no hydrogen 2.847 N/A ILE 566.A N ILE 554.A O no hydrogen 2.836 N/A LYS 567.A NZ ASN 569.A OD1 no hydrogen 2.948 N/A VAL 568.A N ARG 552.A O no hydrogen 2.787 N/A ASN 569.A N ALA 525.A O no hydrogen 2.768 N/A ASN 569.A ND2 PRO 526.A O no hydrogen 2.696 N/A MET 570.A N ALA 525.A O no hydrogen 3.065 N/A GLU 571.A N ASN 530.A O no hydrogen 2.992 N/A HIS 573.A N ILE 532.A O no hydrogen 2.952 N/A THR 574.A OG1 GLN 548.A OE1 no hydrogen 3.269 N/A ILE 575.A N PHE 534.A O no hydrogen 2.930 N/A SER 579.A N ASP 576.A O no hydrogen 3.381 N/A SER 579.A OG GLN 389.A OE1 no hydrogen 3.155 N/A SER 579.A OG HIS 581.A O no hydrogen 3.371 N/A HIS 581.A N SER 579.A OG no hydrogen 2.847 N/A HIS 581.A ND1 GLU 379.A OE2 no hydrogen 3.000 N/A ALA 582.A N PHE 355.A O no hydrogen 2.981 N/A ARG 584.A N ASP 387.A O no hydrogen 3.184 N/A ARG 584.A NE GLY 383.A O no hydrogen 3.185 N/A ARG 584.A NH1 GLY 383.A O no hydrogen 3.191 N/A ARG 584.A NH1 SER 617.A OG no hydrogen 2.871 N/A GLU 586.A N ASP 583.A OD1 no hydrogen 2.887 N/A LEU 587.A N ASP 583.A O no hydrogen 2.802 N/A MET 588.A N ARG 584.A O no hydrogen 3.065 N/A ASN 589.A N ARG 585.A O no hydrogen 2.897 N/A TYR 590.A N GLU 586.A O no hydrogen 2.751 N/A TYR 590.A OH ASN 367.A O no hydrogen 2.807 N/A VAL 591.A N LEU 587.A O no hydrogen 3.206 N/A ALA 592.A N MET 588.A O no hydrogen 3.143 N/A LYS 593.A N ASN 589.A O no hydrogen 2.864 N/A VAL 594.A N TYR 590.A O no hydrogen 2.765 N/A ARG 595.A N ALA 368.A O no hydrogen 2.905 N/A GLU 599.A N GLU 374.A O no hydrogen 2.866 N/A ARG 600.A N GLU 374.A O no hydrogen 3.165 N/A ARG 600.A NE THR 375.A OG1 no hydrogen 3.267 N/A ARG 600.A NH2 ARG 638.A OXT no hydrogen 3.563 N/A ILE 601.A N SER 625.A O no hydrogen 2.877 N/A ILE 602.A N LEU 376.A O no hydrogen 2.719 N/A THR 603.A N ARG 627.A O no hydrogen 3.015 N/A THR 603.A OG1 CYS 611.A O no hydrogen 3.013 N/A VAL 604.A N MET 378.A O no hydrogen 2.812 N/A HIS 605.A N GLY 183.A O no hydrogen 2.908 N/A HIS 605.A ND1 HIS 605.A O no hydrogen 2.653 N/A GLY 606.A N GLU 186.A O no hydrogen 3.197 N/A CYS 611.A N GLU 607.A O no hydrogen 3.064 N/A CYS 611.A SG GLY 606.A O no hydrogen 3.222 N/A CYS 611.A SG GLU 607.A O no hydrogen 3.847 N/A LEU 612.A N PRO 608.A O no hydrogen 3.217 N/A ASP 613.A N GLN 609.A O no hydrogen 2.766 N/A LEU 614.A N LYS 610.A O no hydrogen 2.945 N/A ALA 615.A N CYS 611.A O no hydrogen 2.971 N/A THR 616.A N LEU 612.A O no hydrogen 2.718 N/A THR 616.A OG1 LEU 612.A O no hydrogen 3.187 N/A SER 617.A N ASP 613.A O no hydrogen 2.802 N/A SER 617.A OG ASP 613.A O no hydrogen 2.631 N/A SER 617.A OG ASP 613.A OD1 no hydrogen 3.040 N/A ILE 618.A N LEU 614.A O no hydrogen 2.722 N/A HIS 619.A N ALA 615.A O no hydrogen 3.217 N/A HIS 619.A ND1 ILE 624.A O no hydrogen 2.885 N/A ARG 620.A N THR 616.A O no hydrogen 2.977 N/A LYS 621.A N SER 617.A O no hydrogen 2.977 N/A PHE 622.A N ILE 618.A O no hydrogen 2.862 N/A GLY 623.A N HIS 619.A O no hydrogen 2.637 N/A THR 626.A OG1 ALA 615.A O no hydrogen 2.561 N/A ARG 627.A N ILE 601.A O no hydrogen 3.127 N/A ASN 630.A N ASP 633.A OD1 no hydrogen 2.963 N/A ASN 631.A ND2 GLU 186.A OE2 no hydrogen 3.366 N/A LEU 632.A N GLY 180.A O no hydrogen 2.762 N/A ASP 633.A N ASN 630.A O no hydrogen 3.135 N/A THR 634.A OG1 THR 179.A OG1 no hydrogen 2.716 N/A ILE 635.A N ILE 178.A O no hydrogen 2.869 N/A LEU 637.A N ILE 176.A O no hydrogen 2.678 N/A