Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2jkr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 7.A N ASP 6.A OD2 no hydrogen 2.702 N/A LEU 11.A N MET 8.A O no hydrogen 2.813 N/A ALA 12.A N MET 8.A O no hydrogen 3.469 N/A VAL 13.A N ARG 9.A O no hydrogen 2.912 N/A PHE 14.A N GLY 10.A O no hydrogen 2.976 N/A ILE 15.A N LEU 11.A O no hydrogen 2.832 N/A SER 16.A N ALA 12.A O no hydrogen 2.761 N/A ASP 17.A N VAL 13.A O no hydrogen 2.819 N/A ILE 18.A N ILE 15.A O no hydrogen 2.756 N/A ARG 19.A N ILE 15.A O no hydrogen 2.536 N/A ASN 20.A N SER 16.A O no hydrogen 2.756 N/A CYS 21.A SG ASP 17.A O no hydrogen 3.622 N/A CYS 21.A SG ILE 18.A O no hydrogen 3.315 N/A GLU 25.A N SER 23.A OG no hydrogen 2.886 N/A ALA 26.A N SER 23.A OG no hydrogen 2.733 N/A LYS 29.A N GLU 25.A O no hydrogen 3.033 N/A LYS 29.A N ALA 26.A O no hydrogen 2.964 N/A ARG 30.A N ALA 26.A O no hydrogen 2.784 N/A ARG 30.A NH1 GLU 34.A OE1 no hydrogen 2.588 N/A ARG 30.A NH2 ASP 17.A OD2 no hydrogen 2.922 N/A ILE 31.A N GLU 27.A O no hydrogen 3.326 N/A LYS 33.A N LYS 29.A O no hydrogen 3.201 N/A GLU 34.A N ARG 30.A O no hydrogen 3.218 N/A LEU 35.A N ILE 31.A O no hydrogen 2.589 N/A ALA 36.A N ASN 32.A O no hydrogen 2.822 N/A ASN 37.A N LYS 33.A O no hydrogen 2.970 N/A ILE 38.A N GLU 34.A O no hydrogen 2.764 N/A ARG 39.A N LEU 35.A O no hydrogen 2.976 N/A SER 40.A OG ALA 36.A O no hydrogen 3.076 N/A SER 40.A OG ARG 39.A O no hydrogen 2.397 N/A LYS 41.A NZ TYR 56.A OH no hydrogen 3.194 N/A PHE 42.A N ILE 38.A O no hydrogen 3.345 N/A GLY 44.A N PHE 42.A O no hydrogen 2.741 N/A LYS 46.A N ASP 45.A OD2 no hydrogen 2.312 N/A SER 52.A OG ASP 49.A OD1 no hydrogen 3.391 N/A LYS 53.A N ASP 49.A O no hydrogen 2.981 N/A LYS 53.A NZ LEU 48.A O no hydrogen 3.188 N/A LYS 54.A N GLY 50.A O no hydrogen 2.850 N/A LYS 54.A NZ THR 87.A OG1 no hydrogen 2.825 N/A LYS 55.A N TYR 51.A O no hydrogen 3.090 N/A TYR 56.A N SER 52.A O no hydrogen 2.965 N/A VAL 57.A N LYS 53.A O no hydrogen 2.893 N/A CYS 58.A N LYS 54.A O no hydrogen 3.035 N/A LYS 59.A N LYS 55.A O no hydrogen 3.024 N/A LYS 59.A NZ GLY 10.A O no hydrogen 3.520 N/A LYS 59.A NZ GLU 34.A OE2 no hydrogen 2.702 N/A LEU 60.A N TYR 56.A O no hydrogen 3.204 N/A LEU 61.A N VAL 57.A O no hydrogen 2.845 N/A PHE 62.A N CYS 58.A O no hydrogen 2.988 N/A ILE 63.A N LYS 59.A O no hydrogen 3.073 N/A PHE 64.A N LEU 60.A O no hydrogen 2.973 N/A LEU 65.A N LEU 61.A O no hydrogen 3.098 N/A LEU 66.A N ILE 63.A O no hydrogen 3.362 N/A GLY 67.A N PHE 64.A O no hydrogen 2.745 N/A ALA 77.A N GLY 73.A O no hydrogen 3.075 N/A ALA 77.A N HIS 74.A O no hydrogen 3.162 N/A VAL 78.A N HIS 74.A O no hydrogen 3.092 N/A ASN 79.A N MET 75.A O no hydrogen 3.073 N/A LEU 81.A N VAL 78.A O no hydrogen 3.129 N/A SER 82.A N ASN 79.A O no hydrogen 2.879 N/A SER 82.A OG VAL 78.A O no hydrogen 3.466 N/A SER 82.A OG ASN 79.A O no hydrogen 3.303 N/A SER 83.A N LEU 80.A O no hydrogen 3.175 N/A SER 83.A OG GLU 88.A OE1 no hydrogen 2.708 N/A ARG 85.A N SER 83.A OG no hydrogen 2.916 N/A GLU 88.A N ARG 85.A O no hydrogen 3.054 N/A LYS 89.A N ARG 85.A O no hydrogen 2.978 N/A LYS 89.A NZ LEU 81.A O no hydrogen 2.845 N/A LYS 89.A NZ SER 83.A O no hydrogen 3.024 N/A LYS 89.A NZ ASP 117.A OD1 no hydrogen 2.937 N/A GLN 90.A N TYR 86.A O no hydrogen 2.777 N/A GLY 92.A N GLU 88.A O no hydrogen 3.143 N/A TYR 93.A N LYS 89.A O no hydrogen 2.909 N/A TYR 93.A OH ASP 117.A OD2 no hydrogen 2.471 N/A LEU 94.A N GLN 90.A O no hydrogen 2.855 N/A PHE 95.A N ILE 91.A O no hydrogen 2.806 N/A ILE 96.A N GLY 92.A O no hydrogen 3.078 N/A SER 97.A N TYR 93.A O no hydrogen 2.832 N/A SER 97.A N LEU 94.A O no hydrogen 3.095 N/A SER 97.A OG TYR 93.A O no hydrogen 2.814 N/A VAL 98.A N LEU 94.A O no hydrogen 3.099 N/A LEU 99.A N PHE 95.A O no hydrogen 2.975 N/A LEU 106.A N ASN 103.A OD1 no hydrogen 3.400 N/A ILE 107.A N ASN 103.A O no hydrogen 3.004 N/A ARG 108.A N GLU 105.A O no hydrogen 2.921 N/A LEU 109.A N GLU 105.A O no hydrogen 2.798 N/A ILE 110.A N LEU 106.A O no hydrogen 2.877 N/A ASN 111.A N ILE 107.A O no hydrogen 3.171 N/A ASN 111.A ND2 GLU 140.A O no hydrogen 3.573 N/A ASN 112.A N ARG 108.A O no hydrogen 3.016 N/A ALA 113.A N LEU 109.A O no hydrogen 3.198 N/A ILE 114.A N ILE 110.A O no hydrogen 2.943 N/A LYS 115.A N ASN 111.A O no hydrogen 2.776 N/A ASN 116.A N ASN 112.A O no hydrogen 2.880 N/A ASP 117.A N ALA 113.A O no hydrogen 2.943 N/A LEU 118.A N ILE 114.A O no hydrogen 2.882 N/A ALA 119.A N ASN 116.A O no hydrogen 2.817 N/A SER 120.A N ASP 117.A O no hydrogen 3.159 N/A SER 120.A OG ASP 117.A O no hydrogen 2.493 N/A ASN 122.A N SER 120.A OG no hydrogen 3.384 N/A PHE 125.A N ASN 122.A OD1 no hydrogen 3.253 N/A MET 126.A N ASN 122.A O no hydrogen 2.703 N/A GLY 127.A N PRO 123.A O no hydrogen 2.860 N/A LEU 128.A N THR 124.A O no hydrogen 3.109 N/A ALA 129.A N PHE 125.A O no hydrogen 3.077 N/A LEU 130.A N MET 126.A O no hydrogen 2.827 N/A HIS 131.A N GLY 127.A O no hydrogen 2.725 N/A HIS 131.A NE2 SER 165.A OG no hydrogen 2.690 N/A CYS 132.A N LEU 128.A O no hydrogen 3.193 N/A ILE 133.A N ALA 129.A O no hydrogen 2.866 N/A ALA 134.A N LEU 130.A O no hydrogen 3.210 N/A ALA 134.A N HIS 131.A O no hydrogen 2.804 N/A ASN 135.A N HIS 131.A O no hydrogen 2.758 N/A ASN 135.A N CYS 132.A O no hydrogen 3.312 N/A VAL 136.A N CYS 132.A O no hydrogen 3.086 N/A GLY 137.A N ILE 133.A O no hydrogen 2.909 N/A ARG 139.A NE GLU 143.A OE2 no hydrogen 3.435 N/A ARG 139.A NH1 ASP 179.A OD1 no hydrogen 3.125 N/A ARG 139.A NH2 GLU 143.A OE2 no hydrogen 3.138 N/A GLU 140.A N GLU 140.A OE1 no hydrogen 2.746 N/A MET 141.A N SER 138.A O no hydrogen 2.746 N/A MET 141.A N SER 138.A OG no hydrogen 3.176 N/A ALA 142.A N SER 138.A O no hydrogen 3.135 N/A GLU 143.A N ARG 139.A O no hydrogen 3.113 N/A PHE 145.A N MET 141.A O no hydrogen 2.888 N/A ALA 146.A N ALA 142.A O no hydrogen 2.907 N/A GLU 148.A N PHE 145.A O no hydrogen 2.974 N/A ILE 149.A N PHE 145.A O no hydrogen 3.143 N/A ILE 152.A N GLU 148.A O no hydrogen 3.084 N/A LEU 153.A N ILE 149.A O no hydrogen 2.977 N/A VAL 154.A N PRO 150.A O no hydrogen 3.183 N/A ALA 155.A N LYS 151.A O no hydrogen 3.397 N/A THR 158.A OG1 ILE 152.A O no hydrogen 2.897 N/A THR 158.A OG1 ALA 155.A O no hydrogen 3.533 N/A VAL 162.A N MET 159.A O no hydrogen 3.049 N/A LYS 163.A N MET 159.A O no hydrogen 2.731 N/A LYS 163.A NZ ASP 196.A OD2 no hydrogen 3.450 N/A GLN 164.A N ASP 160.A O no hydrogen 2.887 N/A SER 165.A N SER 161.A O no hydrogen 3.269 N/A SER 165.A OG HIS 131.A NE2 no hydrogen 2.690 N/A ALA 166.A N VAL 162.A O no hydrogen 2.651 N/A ALA 167.A N LYS 163.A O no hydrogen 3.157 N/A LEU 168.A N GLN 164.A O no hydrogen 3.273 N/A CYS 169.A N SER 165.A O no hydrogen 2.784 N/A CYS 169.A SG LEU 130.A O no hydrogen 3.280 N/A LEU 170.A N ALA 166.A O no hydrogen 2.851 N/A LEU 171.A N ALA 167.A O no hydrogen 3.100 N/A ARG 172.A N LEU 168.A O no hydrogen 3.291 N/A LEU 173.A N CYS 169.A O no hydrogen 2.995 N/A TYR 174.A N LEU 170.A O no hydrogen 2.827 N/A ARG 175.A N LEU 171.A O no hydrogen 2.934 N/A THR 176.A N LEU 173.A O no hydrogen 3.062 N/A THR 176.A OG1 GLY 137.A O no hydrogen 3.568 N/A THR 176.A OG1 ARG 172.A O no hydrogen 3.097 N/A SER 177.A N LEU 173.A O no hydrogen 2.778 N/A LEU 180.A N SER 177.A O no hydrogen 2.753 N/A VAL 181.A N PRO 178.A O no hydrogen 3.320 N/A VAL 190.A N THR 187.A O no hydrogen 2.909 N/A VAL 191.A N THR 187.A O no hydrogen 2.994 N/A HIS 192.A N SER 188.A O no hydrogen 2.984 N/A LEU 193.A N VAL 190.A O no hydrogen 2.738 N/A LEU 194.A N VAL 191.A O no hydrogen 2.958 N/A ASN 195.A N HIS 192.A O no hydrogen 3.113 N/A ASP 196.A N LEU 193.A O no hydrogen 3.288 N/A HIS 198.A N ASP 196.A OD1 no hydrogen 2.734 N/A VAL 202.A N HIS 198.A O no hydrogen 3.284 N/A THR 203.A N LEU 199.A O no hydrogen 2.982 N/A THR 203.A OG1 LEU 199.A O no hydrogen 3.279 N/A ALA 204.A N GLY 200.A O no hydrogen 3.085 N/A ALA 205.A N VAL 201.A O no hydrogen 2.796 N/A THR 206.A N VAL 202.A O no hydrogen 2.937 N/A THR 206.A OG1 VAL 202.A O no hydrogen 3.075 N/A SER 207.A N THR 203.A O no hydrogen 3.344 N/A SER 207.A OG THR 203.A O no hydrogen 3.332 N/A LEU 208.A N ALA 204.A O no hydrogen 3.183 N/A ILE 209.A N ALA 205.A O no hydrogen 2.703 N/A THR 210.A N THR 206.A O no hydrogen 2.850 N/A THR 210.A OG1 THR 206.A O no hydrogen 2.701 N/A THR 211.A N SER 207.A O no hydrogen 3.232 N/A THR 211.A OG1 SER 207.A O no hydrogen 3.317 N/A LEU 212.A N LEU 208.A O no hydrogen 3.053 N/A ALA 213.A N ILE 209.A O no hydrogen 2.991 N/A LYS 215.A N LEU 212.A O no hydrogen 3.307 N/A ASN 216.A ND2 LEU 212.A O no hydrogen 3.222 N/A GLU 219.A N ASN 216.A O no hydrogen 3.033 N/A PHE 220.A N PRO 217.A O no hydrogen 3.344 N/A SER 223.A N PHE 220.A O no hydrogen 2.652 N/A SER 223.A OG PHE 220.A O no hydrogen 2.911 N/A VAL 224.A N LYS 221.A O no hydrogen 3.374 N/A ALA 227.A N SER 223.A O no hydrogen 2.782 N/A VAL 228.A N VAL 224.A O no hydrogen 3.000 N/A SER 229.A N SER 225.A O no hydrogen 3.345 N/A SER 229.A OG SER 225.A O no hydrogen 3.148 N/A ARG 230.A N LEU 226.A O no hydrogen 2.753 N/A ARG 230.A NE LEU 194.A O no hydrogen 3.044 N/A LEU 231.A N ALA 227.A O no hydrogen 3.001 N/A SER 232.A N VAL 228.A O no hydrogen 2.879 N/A ARG 233.A N SER 229.A O no hydrogen 3.211 N/A ILE 234.A N ARG 230.A O no hydrogen 2.804 N/A VAL 235.A N LEU 231.A O no hydrogen 3.150 N/A THR 236.A OG1 SER 232.A O no hydrogen 3.144 N/A THR 236.A OG1 ARG 233.A O no hydrogen 3.086 N/A SER 237.A OG ARG 233.A O no hydrogen 2.845 N/A TYR 245.A OH HIS 198.A NE2 no hydrogen 3.222 N/A THR 246.A N GLN 243.A O no hydrogen 3.257 N/A THR 246.A OG1 LEU 242.A O no hydrogen 2.956 N/A TYR 247.A N VAL 250.A O no hydrogen 2.976 N/A VAL 250.A N TYR 247.A O no hydrogen 3.082 N/A ALA 252.A N TYR 245.A O no hydrogen 2.962 N/A SER 256.A N ALA 252.A O no hydrogen 2.922 N/A SER 256.A OG ALA 252.A O no hydrogen 3.094 N/A VAL 257.A N PRO 253.A O no hydrogen 2.816 N/A LYS 258.A N TRP 254.A O no hydrogen 2.885 N/A LYS 258.A NZ SER 207.A OG no hydrogen 2.648 N/A LEU 259.A N LEU 255.A O no hydrogen 2.877 N/A LEU 260.A N SER 256.A O no hydrogen 2.896 N/A ARG 261.A N VAL 257.A O no hydrogen 2.996 N/A LEU 262.A N LYS 258.A O no hydrogen 2.851 N/A LEU 263.A N LEU 259.A O no hydrogen 3.012 N/A GLN 264.A N ARG 261.A O no hydrogen 3.061 N/A GLN 264.A NE2 LEU 260.A O no hydrogen 3.592 N/A GLN 264.A NE2 GLU 310.A OE2 no hydrogen 3.113 N/A CYS 265.A N LEU 262.A O no hydrogen 3.134 N/A CYS 265.A SG THR 210.A O no hydrogen 4.008 N/A CYS 265.A SG ARG 261.A O no hydrogen 3.948 N/A TYR 266.A OH PRO 217.A O no hydrogen 2.811 N/A ALA 273.A N ASP 271.A OD1 no hydrogen 2.974 N/A ARG 275.A N ASP 271.A O no hydrogen 2.788 N/A ARG 275.A NE PRO 269.A O no hydrogen 3.182 N/A ARG 275.A NH2 GLU 270.A O no hydrogen 3.318 N/A GLY 276.A N PRO 272.A O no hydrogen 2.726 N/A ARG 277.A N ALA 273.A O no hydrogen 2.876 N/A LEU 278.A N VAL 274.A O no hydrogen 2.945 N/A THR 279.A N ARG 275.A O no hydrogen 3.082 N/A THR 279.A OG1 GLU 321.A OE1 no hydrogen 3.356 N/A GLU 280.A N GLY 276.A O no hydrogen 2.695 N/A CYS 281.A N ARG 277.A O no hydrogen 2.810 N/A LEU 282.A N LEU 278.A O no hydrogen 3.224 N/A GLU 283.A N THR 279.A O no hydrogen 3.056 N/A THR 284.A N GLU 280.A O no hydrogen 3.055 N/A ILE 285.A N CYS 281.A O no hydrogen 2.955 N/A LEU 286.A N LEU 282.A O no hydrogen 3.056 N/A ASN 287.A N GLU 283.A O no hydrogen 2.958 N/A LYS 288.A N THR 284.A O no hydrogen 2.852 N/A ALA 289.A N ILE 285.A O no hydrogen 3.222 N/A GLN 290.A N ASN 287.A O no hydrogen 3.270 N/A GLN 290.A NE2 GLN 334.A OE1 no hydrogen 3.288 N/A GLU 291.A N LYS 288.A O no hydrogen 3.334 N/A LYS 297.A N SER 295.A OG no hydrogen 2.933 N/A LYS 297.A NZ SER 295.A OG no hydrogen 3.088 N/A HIS 300.A ND1 TYR 248.A O no hydrogen 2.892 N/A SER 301.A N LYS 297.A O no hydrogen 3.401 N/A ASN 302.A N VAL 298.A O no hydrogen 2.850 N/A ALA 303.A N GLN 299.A O no hydrogen 2.934 N/A LYS 304.A N HIS 300.A O no hydrogen 2.948 N/A ASN 305.A N SER 301.A O no hydrogen 2.947 N/A ALA 306.A N ASN 302.A O no hydrogen 2.781 N/A VAL 307.A N ALA 303.A O no hydrogen 3.191 N/A LEU 308.A N LYS 304.A O no hydrogen 2.862 N/A PHE 309.A N ASN 305.A O no hydrogen 2.861 N/A GLU 310.A N ALA 306.A O no hydrogen 3.354 N/A ALA 311.A N VAL 307.A O no hydrogen 3.065 N/A ILE 312.A N LEU 308.A O no hydrogen 3.079 N/A SER 313.A N PHE 309.A O no hydrogen 2.833 N/A LEU 314.A N GLU 310.A O no hydrogen 2.782 N/A ILE 315.A N ALA 311.A O no hydrogen 2.932 N/A ILE 316.A N ILE 312.A O no hydrogen 2.801 N/A HIS 317.A N SER 313.A O no hydrogen 2.795 N/A HIS 318.A N LEU 314.A O no hydrogen 2.819 N/A ASP 319.A N ILE 315.A O no hydrogen 2.789 N/A SER 320.A OG HIS 318.A O no hydrogen 3.259 N/A ASN 323.A ND2 GLU 283.A OE1 no hydrogen 2.832 N/A VAL 326.A N PRO 322.A O no hydrogen 2.752 N/A ARG 327.A N ASN 323.A O no hydrogen 3.013 N/A ALA 328.A N LEU 324.A O no hydrogen 3.016 N/A CYS 329.A N LEU 325.A O no hydrogen 3.061 N/A ASN 330.A N VAL 326.A O no hydrogen 2.889 N/A GLN 331.A N ARG 327.A O no hydrogen 2.937 N/A LEU 332.A N ALA 328.A O no hydrogen 2.816 N/A GLY 333.A N CYS 329.A O no hydrogen 2.806 N/A GLN 334.A N ASN 330.A O no hydrogen 3.011 N/A PHE 335.A N GLN 331.A O no hydrogen 3.059 N/A LEU 336.A N LEU 332.A O no hydrogen 3.481 N/A HIS 338.A N GLN 334.A O no hydrogen 3.042 N/A THR 341.A N GLU 340.A OE1 no hydrogen 2.377 N/A THR 341.A OG1 GLU 378.A OE2 no hydrogen 3.373 N/A ASN 342.A N GLU 340.A OE1 no hydrogen 2.662 N/A ARG 344.A NH2 ASN 373.A OD1 no hydrogen 3.291 N/A TYR 345.A N THR 341.A O no hydrogen 2.944 N/A LEU 346.A N ASN 342.A O no hydrogen 3.050 N/A ALA 347.A N LEU 343.A O no hydrogen 2.663 N/A LEU 348.A N ARG 344.A O no hydrogen 3.066 N/A GLU 349.A N TYR 345.A O no hydrogen 3.035 N/A SER 350.A N LEU 346.A O no hydrogen 2.855 N/A MET 351.A N ALA 347.A O no hydrogen 2.780 N/A CYS 352.A N LEU 348.A O no hydrogen 2.950 N/A THR 353.A N GLU 349.A O no hydrogen 3.254 N/A LEU 354.A N SER 350.A O no hydrogen 2.927 N/A SER 356.A N THR 353.A O no hydrogen 3.369 N/A SER 356.A OG THR 353.A O no hydrogen 3.109 N/A SER 357.A OG ASP 319.A OD1 no hydrogen 2.476 N/A GLU 358.A N ASP 319.A OD2 no hydrogen 3.312 N/A PHE 359.A N SER 357.A OG no hydrogen 3.346 N/A GLU 362.A N SER 360.A OG no hydrogen 2.928 N/A LYS 365.A N GLU 362.A O no hydrogen 2.894 N/A LYS 365.A NZ GLU 362.A OE2 no hydrogen 3.127 N/A LYS 365.A NZ ASP 396.A OD2 no hydrogen 2.725 N/A THR 366.A N ALA 363.A O no hydrogen 3.133 N/A HIS 367.A N VAL 364.A O no hydrogen 3.031 N/A THR 370.A OG1 GLN 337.A OE1 no hydrogen 3.159 N/A VAL 371.A N HIS 367.A O no hydrogen 3.097 N/A ILE 372.A N ILE 368.A O no hydrogen 2.945 N/A ASN 373.A N GLU 369.A O no hydrogen 2.985 N/A ALA 374.A N THR 370.A O no hydrogen 3.103 N/A LEU 375.A N VAL 371.A O no hydrogen 3.084 N/A LYS 376.A N ILE 372.A O no hydrogen 3.072 N/A THR 377.A N ASN 373.A O no hydrogen 2.962 N/A SER 382.A N ASP 380.A OD1 no hydrogen 3.394 N/A SER 382.A OG ASP 380.A OD1 no hydrogen 2.559 N/A SER 382.A OG ASP 380.A OD2 no hydrogen 3.363 N/A VAL 383.A N ASP 380.A OD2 no hydrogen 3.311 N/A ARG 384.A N ASP 380.A O no hydrogen 3.118 N/A GLN 385.A N VAL 381.A O no hydrogen 3.058 N/A ARG 386.A N SER 382.A O no hydrogen 3.061 N/A ALA 387.A N VAL 383.A O no hydrogen 3.180 N/A VAL 388.A N ARG 384.A O no hydrogen 3.317 N/A ASP 389.A N GLN 385.A O no hydrogen 2.840 N/A LEU 391.A N ALA 387.A O no hydrogen 3.072 N/A TYR 392.A N VAL 388.A O no hydrogen 3.117 N/A ALA 393.A N ASP 389.A O no hydrogen 3.207 N/A MET 394.A N LEU 391.A O no hydrogen 3.281 N/A CYS 395.A SG ASP 396.A O no hydrogen 4.023 N/A SER 398.A N ASP 396.A OD1 no hydrogen 2.683 N/A SER 398.A OG ASP 396.A OD1 no hydrogen 2.824 N/A SER 398.A OG ASP 396.A OD2 no hydrogen 3.222 N/A ASN 399.A N ASP 396.A OD1 no hydrogen 3.247 N/A ILE 403.A N ASN 399.A O no hydrogen 2.735 N/A VAL 404.A N ALA 400.A O no hydrogen 2.789 N/A ALA 405.A N GLN 401.A O no hydrogen 3.213 N/A GLU 406.A N GLN 402.A O no hydrogen 3.456 N/A MET 407.A N ILE 403.A O no hydrogen 2.730 N/A LEU 408.A N VAL 404.A O no hydrogen 2.865 N/A SER 409.A N ALA 405.A O no hydrogen 3.169 N/A SER 409.A OG GLU 406.A O no hydrogen 3.076 N/A TYR 410.A N GLU 406.A O no hydrogen 3.294 N/A LEU 411.A N MET 407.A O no hydrogen 3.108 N/A GLU 412.A N LEU 408.A O no hydrogen 3.153 N/A ALA 414.A N LEU 411.A O no hydrogen 3.192 N/A ARG 419.A N TYR 416.A O no hydrogen 3.109 N/A ARG 419.A NE ALA 414.A O no hydrogen 3.196 N/A ARG 419.A NH2 ALA 414.A O no hydrogen 3.399 N/A ILE 422.A N ILE 418.A O no hydrogen 2.914 N/A VAL 423.A N ARG 419.A O no hydrogen 2.956 N/A LEU 424.A N GLU 420.A O no hydrogen 3.234 N/A LYS 425.A N GLU 421.A O no hydrogen 3.320 N/A VAL 426.A N ILE 422.A O no hydrogen 2.892 N/A ALA 427.A N VAL 423.A O no hydrogen 2.804 N/A ILE 428.A N LEU 424.A O no hydrogen 2.774 N/A LEU 429.A N LYS 425.A O no hydrogen 3.055 N/A ALA 430.A N VAL 426.A O no hydrogen 2.982 N/A GLU 431.A N ALA 427.A O no hydrogen 3.044 N/A TYR 433.A N LEU 429.A O no hydrogen 2.761 N/A THR 438.A N ASP 436.A OD1 no hydrogen 3.235 N/A THR 438.A OG1 ASP 436.A OD1 no hydrogen 2.815 N/A THR 438.A OG1 ASP 436.A OD2 no hydrogen 3.471 N/A TRP 439.A N ASP 436.A O no hydrogen 3.117 N/A TYR 440.A N ASP 436.A O no hydrogen 3.366 N/A VAL 441.A N TYR 437.A O no hydrogen 2.952 N/A ASP 442.A N THR 438.A O no hydrogen 2.856 N/A THR 443.A N TRP 439.A O no hydrogen 2.591 N/A THR 443.A OG1 TRP 439.A O no hydrogen 2.572 N/A ILE 444.A N TYR 440.A O no hydrogen 2.899 N/A LEU 445.A N VAL 441.A O no hydrogen 3.098 N/A ASN 446.A N ASP 442.A O no hydrogen 3.289 N/A ASN 446.A N THR 443.A O no hydrogen 2.835 N/A LEU 447.A N THR 443.A O no hydrogen 3.465 N/A ILE 448.A N ILE 444.A O no hydrogen 3.074 N/A ARG 449.A N LEU 445.A O no hydrogen 3.013 N/A ARG 449.A NE ASN 446.A OD1 no hydrogen 3.489 N/A ILE 450.A N ASN 446.A O no hydrogen 2.889 N/A TYR 454.A N ALA 451.A O no hydrogen 3.001 N/A VAL 455.A N GLY 452.A O no hydrogen 3.289 N/A TRP 460.A N SER 456.A O no hydrogen 3.463 N/A TYR 461.A N GLU 457.A O no hydrogen 2.796 N/A ARG 462.A N GLU 458.A O no hydrogen 3.036 N/A ARG 462.A NE GLU 431.A OE1 no hydrogen 2.903 N/A ARG 462.A NE GLU 431.A OE2 no hydrogen 3.331 N/A ARG 462.A NH2 GLU 431.A OE1 no hydrogen 3.475 N/A ARG 462.A NH2 GLU 605.A OE2 no hydrogen 3.253 N/A VAL 463.A N VAL 459.A O no hydrogen 3.431 N/A ILE 464.A N TRP 460.A O no hydrogen 3.300 N/A GLN 465.A N TYR 461.A O no hydrogen 2.776 N/A ILE 466.A N ARG 462.A O no hydrogen 2.655 N/A VAL 467.A N VAL 463.A O no hydrogen 2.595 N/A ILE 468.A N ILE 464.A O no hydrogen 2.989 N/A ASN 469.A N GLN 465.A O no hydrogen 3.139 N/A ASN 469.A ND2 PHE 603.A O no hydrogen 3.534 N/A ARG 470.A N ILE 466.A O no hydrogen 2.913 N/A GLN 474.A N ASP 471.A O no hydrogen 3.002 N/A GLN 474.A NE2 VAL 467.A O no hydrogen 3.378 N/A GLN 474.A NE2 ILE 468.A O no hydrogen 3.419 N/A GLN 474.A NE2 ARG 470.A O no hydrogen 3.577 N/A ALA 477.A N VAL 473.A O no hydrogen 2.689 N/A ALA 478.A N GLN 474.A O no hydrogen 3.006 N/A LYS 479.A N GLY 475.A O no hydrogen 2.861 N/A THR 480.A N TYR 476.A O no hydrogen 2.803 N/A THR 480.A OG1 TYR 476.A O no hydrogen 2.777 N/A VAL 481.A N ALA 477.A O no hydrogen 2.944 N/A PHE 482.A N ALA 478.A O no hydrogen 3.210 N/A GLU 483.A N LYS 479.A O no hydrogen 3.220 N/A GLU 483.A N THR 480.A O no hydrogen 3.068 N/A ALA 484.A N THR 480.A O no hydrogen 3.020 N/A LEU 485.A N VAL 481.A O no hydrogen 2.992 N/A GLN 486.A N GLU 483.A O no hydrogen 3.133 N/A CYS 490.A SG ALA 487.A O no hydrogen 3.838 N/A CYS 490.A SG ALA 489.A O no hydrogen 3.016 N/A CYS 490.A SG HIS 491.A O no hydrogen 3.804 N/A LEU 494.A N HIS 491.A O no hydrogen 3.317 N/A LYS 496.A N GLU 492.A O no hydrogen 3.099 N/A VAL 497.A N ASN 493.A O no hydrogen 3.140 N/A GLY 498.A N LEU 494.A O no hydrogen 2.734 N/A GLY 499.A N VAL 495.A O no hydrogen 3.060 N/A TYR 500.A N LYS 496.A O no hydrogen 3.209 N/A ILE 501.A N VAL 497.A O no hydrogen 3.084 N/A LEU 502.A N GLY 498.A O no hydrogen 2.839 N/A GLY 503.A N GLY 499.A O no hydrogen 2.952 N/A GLU 504.A N TYR 500.A O no hydrogen 3.152 N/A PHE 505.A N ILE 501.A O no hydrogen 3.049 N/A ILE 509.A N GLY 506.A O no hydrogen 3.284 N/A ALA 510.A N ASN 507.A O no hydrogen 3.373 N/A ARG 514.A N ASP 512.A OD1 no hydrogen 3.237 N/A SER 515.A N ASP 512.A O no hydrogen 3.287 N/A SER 515.A OG ILE 509.A O no hydrogen 2.650 N/A SER 516.A N PRO 513.A O no hydrogen 3.434 N/A ILE 519.A N SER 516.A OG no hydrogen 3.401 N/A GLN 520.A N SER 516.A O no hydrogen 2.868 N/A GLN 520.A N PRO 517.A O no hydrogen 3.074 N/A GLN 520.A NE2 GLY 506.A O no hydrogen 3.125 N/A GLN 520.A NE2 SER 515.A O no hydrogen 2.813 N/A PHE 521.A N PRO 517.A O no hydrogen 3.153 N/A ASN 522.A N LEU 518.A O no hydrogen 3.176 N/A LEU 523.A N ILE 519.A O no hydrogen 3.105 N/A LEU 524.A N GLN 520.A O no hydrogen 2.839 N/A HIS 525.A N PHE 521.A O no hydrogen 2.882 N/A SER 526.A N ASN 522.A O no hydrogen 3.279 N/A SER 526.A OG LEU 523.A O no hydrogen 3.085 N/A LYS 527.A N LEU 524.A O no hydrogen 2.721 N/A LYS 527.A NZ LEU 485.A O no hydrogen 3.539 N/A LEU 530.A N PHE 528.A O no hydrogen 2.564 N/A CYS 531.A N PHE 528.A O no hydrogen 2.952 N/A CYS 531.A SG LYS 527.A O no hydrogen 2.894 N/A SER 532.A N GLU 492.A OE1 no hydrogen 3.420 N/A SER 532.A N GLU 492.A OE2 no hydrogen 2.639 N/A SER 532.A OG GLU 492.A OE2 no hydrogen 2.788 N/A SER 532.A OG THR 535.A OG1 no hydrogen 3.196 N/A THR 535.A N SER 532.A O no hydrogen 3.158 N/A THR 535.A OG1 GLU 492.A OE2 no hydrogen 2.847 N/A THR 535.A OG1 SER 532.A OG no hydrogen 3.196 N/A ARG 536.A N SER 532.A O no hydrogen 3.035 N/A ARG 536.A NE CYS 531.A O no hydrogen 2.870 N/A ALA 537.A N VAL 533.A O no hydrogen 2.723 N/A LEU 538.A N PRO 534.A O no hydrogen 3.008 N/A LEU 539.A N THR 535.A O no hydrogen 2.688 N/A LEU 540.A N ARG 536.A O no hydrogen 2.870 N/A SER 541.A N ALA 537.A O no hydrogen 3.054 N/A SER 541.A OG TYR 581.A OH no hydrogen 2.737 N/A THR 542.A N LEU 538.A O no hydrogen 2.977 N/A THR 542.A OG1 GLY 499.A O no hydrogen 2.571 N/A THR 542.A OG1 LEU 538.A O no hydrogen 3.364 N/A TYR 543.A N LEU 539.A O no hydrogen 2.730 N/A ILE 544.A N LEU 540.A O no hydrogen 3.238 N/A LYS 545.A N SER 541.A O no hydrogen 3.297 N/A LYS 545.A NZ GLU 504.A OE1 no hydrogen 2.830 N/A PHE 546.A N THR 542.A O no hydrogen 3.155 N/A PHE 546.A N TYR 543.A O no hydrogen 3.252 N/A VAL 547.A N TYR 543.A O no hydrogen 3.265 N/A ASN 548.A N ILE 544.A O no hydrogen 3.154 N/A LEU 549.A N LYS 545.A O no hydrogen 3.065 N/A PHE 550.A N PHE 546.A O no hydrogen 2.724 N/A VAL 553.A N PHE 550.A O no hydrogen 2.990 N/A LYS 554.A NZ SER 585.A O no hydrogen 3.058 N/A ILE 557.A N VAL 553.A O no hydrogen 2.866 N/A GLN 558.A N LYS 554.A O no hydrogen 2.912 N/A ASP 559.A N THR 556.A O no hydrogen 2.984 N/A VAL 560.A N ILE 557.A O no hydrogen 2.875 N/A LEU 561.A N ILE 557.A O no hydrogen 3.114 N/A SER 563.A N VAL 560.A O no hydrogen 3.474 N/A SER 563.A OG VAL 560.A O no hydrogen 3.146 N/A GLN 566.A N SER 563.A O no hydrogen 2.769 N/A LEU 567.A N SER 563.A O no hydrogen 3.296 N/A LYS 568.A N ASP 564.A O no hydrogen 3.025 N/A ASN 569.A N GLN 566.A O no hydrogen 3.201 N/A ASP 571.A N ASN 569.A OD1 no hydrogen 3.113 N/A GLU 573.A N ASP 571.A OD2 no hydrogen 2.960 N/A GLN 575.A N ASP 571.A O no hydrogen 3.177 N/A GLN 575.A NE2 LEU 567.A O no hydrogen 2.843 N/A GLN 576.A N VAL 572.A O no hydrogen 2.967 N/A GLN 576.A NE2 GLU 580.A OE2 no hydrogen 2.850 N/A ARG 577.A N GLU 573.A O no hydrogen 3.049 N/A ARG 577.A NE GLU 573.A OE1 no hydrogen 3.001 N/A ALA 578.A N LEU 574.A O no hydrogen 2.985 N/A VAL 579.A N GLN 575.A O no hydrogen 3.092 N/A GLU 580.A N GLN 576.A O no hydrogen 2.971 N/A TYR 581.A N ARG 577.A O no hydrogen 3.047 N/A TYR 581.A OH SER 541.A OG no hydrogen 2.737 N/A LEU 582.A N ALA 578.A O no hydrogen 2.892 N/A ARG 583.A N VAL 579.A O no hydrogen 2.911 N/A LEU 584.A N GLU 580.A O no hydrogen 2.880 N/A SER 585.A N TYR 581.A O no hydrogen 2.803 N/A SER 585.A OG LEU 582.A O no hydrogen 3.157 N/A THR 586.A N LEU 582.A O no hydrogen 3.120 N/A THR 586.A N ARG 583.A O no hydrogen 3.067 N/A THR 586.A OG1 LEU 582.A O no hydrogen 3.460 N/A VAL 587.A N ARG 583.A O no hydrogen 2.722 N/A ALA 588.A N LEU 584.A O no hydrogen 3.321 N/A LEU 593.A N SER 589.A O no hydrogen 2.801 N/A THR 595.A N ASP 591.A O no hydrogen 3.279 N/A THR 595.A N ILE 592.A O no hydrogen 3.111 N/A THR 595.A OG1 ASP 591.A O no hydrogen 2.913 N/A THR 595.A OG1 ILE 592.A O no hydrogen 3.417 N/A VAL 596.A N ILE 592.A O no hydrogen 2.992 N/A LEU 597.A N LEU 593.A O no hydrogen 3.012 N/A GLU 598.A N THR 595.A O no hydrogen 3.114 N/A PHE 603.A N ASN 469.A OD1 no hydrogen 2.895 N/A ARG 606.A N PRO 604.A O no hydrogen 2.865 N/A LYS 615.A N LYS 618.A O no hydrogen 3.413 N/A LYS 617.A N LYS 615.A O no hydrogen 2.334 N/A