Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4im0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N TRP 11.A O no hydrogen 3.233 N/A SER 5.A OG THR 6.A O no hydrogen 2.807 N/A SER 5.A OG HIS 9.A O no hydrogen 3.447 N/A THR 6.A N HIS 9.A O no hydrogen 2.836 N/A THR 6.A OG1 GLU 72.A OE1 no hydrogen 2.558 N/A ASN 8.A N THR 6.A OG1 no hydrogen 3.212 N/A ASN 8.A ND2 GLU 72.A OE2 no hydrogen 2.905 N/A HIS 9.A N THR 6.A OG1 no hydrogen 3.328 N/A HIS 9.A ND1 GLU 72.A OE1 no hydrogen 3.026 N/A LEU 10.A N ARG 29.A O no hydrogen 3.250 N/A TRP 11.A N GLN 4.A O no hydrogen 3.349 N/A TRP 11.A NE1 GLN 4.A OE1 no hydrogen 3.324 N/A LEU 13.A N SER 2.A O no hydrogen 3.427 N/A ILE 16.A N SER 14.A O no hydrogen 2.896 N/A LEU 17.A N VAL 25.A O no hydrogen 2.547 N/A GLY 18.A N VAL 25.A O no hydrogen 3.131 N/A GLN 19.A NE2 ASN 24.A OD1 no hydrogen 3.160 N/A GLY 20.A N ALA 23.A O no hydrogen 2.807 N/A ASN 24.A N VAL 41.A O no hydrogen 2.887 N/A VAL 25.A N GLY 18.A O no hydrogen 2.791 N/A PHE 26.A N ILE 39.A O no hydrogen 2.866 N/A ARG 27.A N ASP 15.A O no hydrogen 2.827 N/A GLY 28.A N PHE 37.A O no hydrogen 2.878 N/A ARG 29.A N LEU 10.A O no hydrogen 3.065 N/A ARG 29.A NH2 GLY 34.A O no hydrogen 3.226 N/A HIS 30.A N ASP 35.A O no hydrogen 2.816 N/A LYS 31.A N ASN 8.A O no hydrogen 2.650 N/A LYS 31.A NZ SER 5.A OG no hydrogen 3.208 N/A LYS 31.A NZ THR 6.A O no hydrogen 2.642 N/A LYS 31.A NZ SER 7.A O no hydrogen 3.365 N/A LYS 32.A N HIS 30.A ND1 no hydrogen 3.189 N/A THR 33.A N HIS 30.A ND1 no hydrogen 3.262 N/A THR 33.A OG1 ASP 35.A OD2 no hydrogen 2.926 N/A GLY 34.A N HIS 30.A O no hydrogen 2.770 N/A ASP 35.A N THR 33.A OG1 no hydrogen 3.089 N/A PHE 37.A N GLY 28.A O no hydrogen 3.047 N/A ALA 38.A N MET 84.A O no hydrogen 2.766 N/A ILE 39.A N PHE 26.A O no hydrogen 2.771 N/A LYS 40.A N LEU 82.A O no hydrogen 2.802 N/A VAL 41.A N ASN 24.A O no hydrogen 2.884 N/A ASN 43.A N THR 22.A O no hydrogen 3.355 N/A ASN 44.A ND2 ASN 43.A O no hydrogen 3.317 N/A ARG 52.A N ASP 48.A O no hydrogen 3.147 N/A PHE 54.A N GLN 50.A O no hydrogen 2.688 N/A GLU 55.A N MET 51.A O no hydrogen 3.318 N/A VAL 56.A N ARG 52.A O no hydrogen 3.156 N/A LYS 58.A N PHE 54.A O no hydrogen 3.221 N/A LYS 59.A N GLU 55.A O no hydrogen 3.311 N/A LYS 59.A N VAL 56.A O no hydrogen 3.344 N/A LEU 60.A N LEU 57.A O no hydrogen 3.289 N/A ASN 64.A N HIS 62.A ND1 no hydrogen 2.928 N/A ASN 64.A ND2 TYR 151.A O no hydrogen 3.145 N/A ILE 65.A N HIS 62.A O no hydrogen 3.148 N/A VAL 66.A N LEU 153.A O no hydrogen 2.919 N/A LYS 67.A N GLU 85.A OE2 no hydrogen 3.145 N/A PHE 69.A N ILE 83.A O no hydrogen 2.863 N/A ALA 70.A N ILE 83.A O no hydrogen 3.413 N/A GLU 72.A N VAL 81.A O no hydrogen 3.124 N/A GLU 74.A N HIS 79.A O no hydrogen 2.970 N/A THR 75.A N SER 5.A O no hydrogen 2.714 N/A THR 75.A OG1 SER 5.A O no hydrogen 3.316 N/A THR 76.A N GLU 74.A OE2 no hydrogen 2.957 N/A THR 77.A N GLU 74.A OE1 no hydrogen 2.279 N/A HIS 79.A NE2 ASN 44.A O no hydrogen 2.815 N/A LYS 80.A NZ GLU 73.A OE2 no hydrogen 2.396 N/A VAL 81.A N GLU 72.A O no hydrogen 2.828 N/A LEU 82.A N LYS 40.A O no hydrogen 2.854 N/A ILE 83.A N ALA 70.A O no hydrogen 2.991 N/A MET 84.A N ALA 38.A O no hydrogen 2.738 N/A GLU 85.A N LYS 67.A O no hydrogen 2.783 N/A CYS 87.A SG GLU 85.A O no hydrogen 3.967 N/A GLY 90.A N CYS 87.A O no hydrogen 3.145 N/A SER 91.A N THR 94.A OG1 no hydrogen 3.080 N/A SER 91.A OG PRO 136.A O no hydrogen 3.353 N/A LEU 92.A N ILE 139.A O no hydrogen 2.695 N/A TYR 93.A N PRO 136.A O no hydrogen 3.021 N/A VAL 95.A N SER 91.A O no hydrogen 3.151 N/A LEU 96.A N LEU 92.A O no hydrogen 2.804 N/A GLU 97.A N TYR 93.A O no hydrogen 2.968 N/A GLU 97.A N THR 94.A O no hydrogen 3.087 N/A GLU 98.A N VAL 95.A O no hydrogen 3.076 N/A ASN 101.A N GLU 98.A O no hydrogen 2.871 N/A ASN 101.A ND2 VAL 95.A O no hydrogen 2.862 N/A ALA 102.A N PRO 99.A O no hydrogen 3.264 N/A GLY 104.A N ASN 101.A O no hydrogen 3.138 N/A LEU 105.A N ALA 190.A O no hydrogen 2.799 N/A PHE 110.A N PRO 106.A O no hydrogen 2.961 N/A LEU 111.A N GLU 107.A O no hydrogen 3.072 N/A ILE 112.A N SER 108.A O no hydrogen 3.358 N/A VAL 113.A N GLU 109.A O no hydrogen 2.997 N/A LEU 114.A N PHE 110.A O no hydrogen 2.880 N/A ARG 115.A N LEU 111.A O no hydrogen 2.914 N/A ARG 115.A NE ASP 116.A OD1 no hydrogen 2.960 N/A ASP 116.A N ILE 112.A O no hydrogen 2.809 N/A VAL 117.A N VAL 113.A O no hydrogen 2.935 N/A VAL 118.A N LEU 114.A O no hydrogen 3.122 N/A GLY 119.A N ARG 115.A O no hydrogen 2.905 N/A GLY 120.A N ASP 116.A O no hydrogen 2.855 N/A MET 121.A N VAL 117.A O no hydrogen 2.803 N/A ASN 122.A N VAL 118.A O no hydrogen 2.963 N/A HIS 123.A N GLY 119.A O no hydrogen 3.115 N/A LEU 124.A N GLY 120.A O no hydrogen 3.109 N/A ARG 125.A N MET 121.A O no hydrogen 3.087 N/A GLU 126.A N ASN 122.A O no hydrogen 2.777 N/A ASN 127.A N LEU 124.A O no hydrogen 2.831 N/A ASN 127.A ND2 HIS 123.A O no hydrogen 2.350 N/A GLY 128.A N ARG 125.A O no hydrogen 2.659 N/A ILE 129.A N LEU 124.A O no hydrogen 2.952 N/A ASN 138.A N LYS 135.A O no hydrogen 2.626 N/A ILE 139.A N PRO 136.A O no hydrogen 3.403 N/A MET 140.A N LYS 152.A O no hydrogen 2.728 N/A ARG 141.A N GLY 90.A O no hydrogen 2.632 N/A ARG 141.A NE SER 149.A OG no hydrogen 2.586 N/A ARG 141.A NH2 SER 149.A OG no hydrogen 3.086 N/A VAL 142.A N VAL 150.A O no hydrogen 2.884 N/A GLY 144.A N GLN 148.A O no hydrogen 2.667 N/A GLY 147.A N GLY 144.A O no hydrogen 2.856 N/A GLN 148.A N ASP 146.A OD1 no hydrogen 3.098 N/A GLN 148.A NE2 ASP 146.A OD2 no hydrogen 2.696 N/A SER 149.A OG GLU 109.A OE2 no hydrogen 2.698 N/A VAL 150.A N VAL 142.A O no hydrogen 2.702 N/A TYR 151.A N ASP 116.A OD2 no hydrogen 2.706 N/A TYR 151.A OH GLU 109.A OE2 no hydrogen 2.700 N/A LYS 152.A N MET 140.A O no hydrogen 2.706 N/A LYS 152.A NZ LYS 63.A O no hydrogen 2.687 N/A LEU 153.A N ASN 64.A O no hydrogen 2.800 N/A THR 154.A N ASN 138.A O no hydrogen 3.227 N/A TYR 161.A N THR 158.A O no hydrogen 2.846 N/A TYR 161.A OH HIS 189.A ND1 no hydrogen 2.784 N/A LEU 162.A N GLU 159.A O no hydrogen 3.243 N/A TYR 167.A N HIS 163.A O no hydrogen 2.381 N/A GLU 168.A N PRO 164.A O no hydrogen 3.378 N/A LYS 173.A N VAL 170.A O no hydrogen 2.861 N/A THR 177.A OG1 GLN 265.A OE1 no hydrogen 2.651 N/A ASP 179.A N ALA 176.A O no hydrogen 2.925 N/A TRP 181.A N THR 177.A O no hydrogen 3.256 N/A SER 182.A OG ASP 179.A O no hydrogen 3.137 N/A ILE 183.A N ASP 179.A O no hydrogen 3.100 N/A GLY 184.A N LEU 180.A O no hydrogen 2.721 N/A VAL 185.A N TRP 181.A O no hydrogen 2.879 N/A THR 186.A N SER 182.A O no hydrogen 2.863 N/A THR 186.A OG1 SER 182.A O no hydrogen 2.607 N/A PHE 187.A N ILE 183.A O no hydrogen 2.894 N/A TYR 188.A N GLY 184.A O no hydrogen 2.983 N/A HIS 189.A N VAL 185.A O no hydrogen 2.857 N/A HIS 189.A ND1 TYR 161.A OH no hydrogen 2.784 N/A ALA 190.A N THR 186.A O no hydrogen 2.856 N/A ALA 191.A N PHE 187.A O no hydrogen 2.871 N/A THR 192.A N TYR 188.A O no hydrogen 2.955 N/A THR 192.A OG1 TYR 188.A O no hydrogen 2.916 N/A GLY 193.A N HIS 189.A O no hydrogen 2.633 N/A SER 194.A N THR 192.A OG1 no hydrogen 3.126 N/A ARG 198.A N GLY 224.A O no hydrogen 3.017 N/A ARG 198.A NE LEU 195.A O no hydrogen 3.303 N/A PHE 200.A N GLN 226.A OE1 no hydrogen 2.892 N/A ASN 206.A N GLY 202.A O no hydrogen 3.037 N/A ASN 206.A ND2 PHE 200.A O no hydrogen 3.496 N/A GLU 208.A N GLU 208.A OE1 no hydrogen 2.581 N/A MET 210.A N ASN 206.A O no hydrogen 3.028 N/A TYR 211.A N LYS 207.A O no hydrogen 3.228 N/A TYR 211.A OH GLU 168.A OE2 no hydrogen 2.519 N/A LYS 212.A N GLU 208.A O no hydrogen 3.131 N/A ILE 213.A N VAL 209.A O no hydrogen 2.956 N/A ILE 214.A N MET 210.A O no hydrogen 3.151 N/A THR 215.A N TYR 211.A O no hydrogen 3.015 N/A THR 215.A OG1 TYR 211.A O no hydrogen 3.215 N/A THR 215.A OG1 LYS 212.A O no hydrogen 3.520 N/A GLY 216.A N LYS 212.A O no hydrogen 2.971 N/A LYS 217.A NZ LEU 261.A O no hydrogen 2.387 N/A SER 219.A OG GLU 262.A OE1 no hydrogen 3.332 N/A ALA 221.A N PRO 218.A O no hydrogen 3.248 N/A ILE 222.A N SER 236.A O no hydrogen 2.698 N/A SER 223.A N SER 236.A O no hydrogen 3.255 N/A GLY 224.A N PRO 196.A O no hydrogen 2.880 N/A VAL 225.A N ASP 234.A O no hydrogen 3.010 N/A GLN 226.A N ARG 198.A O no hydrogen 2.927 N/A GLN 226.A NE2 GLY 231.A O no hydrogen 2.785 N/A GLY 231.A N ALA 228.A O no hydrogen 3.163 N/A ASP 234.A N VAL 225.A O no hydrogen 2.877 N/A SER 236.A N SER 223.A O no hydrogen 3.202 N/A SER 236.A OG ASP 238.A O no hydrogen 3.098 N/A ASP 238.A N SER 236.A OG no hydrogen 3.059 N/A CYS 243.A N PRO 240.A O no hydrogen 3.102 N/A CYS 243.A SG ALA 191.A O no hydrogen 3.486 N/A SER 246.A N GLU 107.A OE2 no hydrogen 2.753 N/A SER 246.A OG GLU 107.A OE1 no hydrogen 2.679 N/A SER 246.A OG GLU 107.A OE2 no hydrogen 3.360 N/A LEU 249.A N SER 246.A OG no hydrogen 3.085 N/A GLN 250.A N SER 246.A O no hydrogen 2.801 N/A GLN 250.A NE2 LEU 245.A O no hydrogen 2.827 N/A VAL 251.A N ARG 247.A O no hydrogen 2.889 N/A LEU 252.A N LEU 249.A O no hydrogen 2.948 N/A LEU 253.A N LEU 249.A O no hydrogen 2.876 N/A THR 254.A N GLN 250.A O no hydrogen 3.011 N/A THR 254.A OG1 GLN 250.A O no hydrogen 3.153 N/A LEU 257.A N LEU 253.A O no hydrogen 3.113 N/A ALA 258.A N THR 254.A O no hydrogen 2.951 N/A ASN 259.A N PRO 255.A O no hydrogen 3.057 N/A ASN 259.A N VAL 256.A O no hydrogen 3.144 N/A ASN 259.A ND2 PRO 255.A O no hydrogen 2.717 N/A ILE 260.A N LEU 257.A O no hydrogen 3.105 N/A LEU 261.A N LEU 257.A O no hydrogen 2.747 N/A ALA 263.A N GLU 262.A OE2 no hydrogen 3.050 N/A GLN 265.A NE2 ASP 165.A OD2 no hydrogen 2.777 N/A LYS 267.A N ASP 264.A O no hydrogen 2.829 N/A LYS 267.A NZ GLU 266.A O no hydrogen 3.366 N/A PHE 274.A N GLY 270.A O no hydrogen 3.180 N/A PHE 275.A N PHE 271.A O no hydrogen 2.600 N/A ALA 276.A N ASP 272.A O no hydrogen 2.909 N/A GLU 277.A N GLN 273.A O no hydrogen 2.824 N/A THR 278.A N PHE 274.A O no hydrogen 2.986 N/A THR 278.A OG1 PHE 274.A O no hydrogen 2.821 N/A THR 278.A OG1 PHE 275.A O no hydrogen 3.231 N/A SER 279.A N PHE 275.A O no hydrogen 3.002 N/A SER 279.A OG PHE 275.A O no hydrogen 2.615 N/A ASP 280.A N ALA 276.A O no hydrogen 2.941 N/A ILE 281.A N THR 278.A O no hydrogen 3.117 N/A LEU 282.A N THR 278.A O no hydrogen 3.002 N/A HIS 283.A N SER 279.A O no hydrogen 2.792 N/A ARG 284.A N ILE 281.A O no hydrogen 3.197 N/A ARG 284.A NE TYR 301.A O no hydrogen 3.033 N/A ARG 284.A NH1 ASP 280.A O no hydrogen 3.377 N/A MET 285.A N ILE 302.A O no hydrogen 2.875 N/A ILE 287.A N ILE 300.A O no hydrogen 2.885 N/A HIS 288.A N THR 349.A OG1 no hydrogen 3.007 N/A VAL 289.A N HIS 298.A O no hydrogen 2.979 N/A PHE 290.A N ILE 355.A O no hydrogen 2.803 N/A SER 291.A N THR 296.A O no hydrogen 2.777 N/A SER 291.A OG GLN 294.A OE1 no hydrogen 2.608 N/A LEU 292.A N VAL 357.A O no hydrogen 3.169 N/A GLN 293.A NE2 SER 359.A O no hydrogen 3.246 N/A GLN 293.A NE2 GLU 361.A O no hydrogen 3.389 N/A GLN 294.A NE2 THR 319.A O no hydrogen 2.892 N/A THR 296.A N SER 291.A O no hydrogen 3.254 N/A THR 296.A OG1 HIS 298.A NE2 no hydrogen 2.644 N/A ALA 297.A N TYR 411.A OH no hydrogen 3.191 N/A HIS 298.A N VAL 289.A O no hydrogen 2.755 N/A HIS 298.A ND1 GLN 318.A OE1 no hydrogen 3.101 N/A HIS 298.A NE2 THR 296.A OG1 no hydrogen 2.644 N/A LYS 299.A NZ GLU 351.A OE1 no hydrogen 3.069 N/A ILE 300.A N ILE 287.A O no hydrogen 2.869 N/A TYR 301.A OH GLU 107.A OE1 no hydrogen 2.451 N/A ILE 302.A N MET 285.A O no hydrogen 2.943 N/A HIS 303.A N ASN 306.A OD1 no hydrogen 3.166 N/A HIS 303.A NE2 ASP 280.A OD1 no hydrogen 2.957 N/A SER 304.A OG GLN 344.A OE1 no hydrogen 3.073 N/A ASN 306.A N HIS 303.A O no hydrogen 2.931 N/A THR 309.A N PRO 339.A O no hydrogen 3.132 N/A THR 309.A OG1 PRO 339.A O no hydrogen 3.352 N/A ILE 310.A N THR 307.A OG1 no hydrogen 3.357 N/A PHE 311.A N THR 307.A O no hydrogen 3.010 N/A HIS 312.A N ALA 308.A O no hydrogen 2.768 N/A HIS 312.A ND1 GLN 326.A OE1 no hydrogen 2.735 N/A GLU 313.A N THR 309.A O no hydrogen 3.153 N/A LEU 314.A N ILE 310.A O no hydrogen 2.930 N/A VAL 315.A N PHE 311.A O no hydrogen 2.980 N/A TYR 316.A N HIS 312.A O no hydrogen 2.899 N/A LYS 317.A N GLU 313.A O no hydrogen 3.045 N/A GLN 318.A N VAL 315.A O no hydrogen 3.082 N/A GLN 318.A NE2 LYS 299.A O no hydrogen 3.044 N/A THR 319.A N VAL 315.A O no hydrogen 2.934 N/A THR 319.A N TYR 316.A O no hydrogen 3.272 N/A THR 319.A OG1 VAL 315.A O no hydrogen 2.643 N/A LYS 320.A N TYR 316.A O no hydrogen 2.586 N/A ILE 321.A N THR 319.A OG1 no hydrogen 3.238 N/A ASN 325.A N ILE 322.A O no hydrogen 2.942 N/A GLN 326.A N SER 323.A O no hydrogen 2.833 N/A GLN 326.A NE2 HIS 312.A O no hydrogen 2.946 N/A GLN 326.A NE2 ILE 321.A O no hydrogen 2.710 N/A GLU 327.A N VAL 358.A O no hydrogen 2.895 N/A ILE 329.A N PHE 356.A O no hydrogen 2.773 N/A TYR 330.A N ARG 333.A O no hydrogen 2.828 N/A TYR 330.A OH LYS 348.A O no hydrogen 2.778 N/A ARG 333.A N TYR 330.A O no hydrogen 3.098 N/A ARG 334.A NH1 GLU 327.A OE1 no hydrogen 2.199 N/A ARG 334.A NH2 ASP 429.A OD1 no hydrogen 3.144 N/A LEU 335.A N LEU 328.A O no hydrogen 2.731 N/A GLU 338.A N GLU 338.A OE1.A no hydrogen 2.519 N/A ARG 341.A N GLU 338.A O no hydrogen 2.956 N/A ARG 341.A NE HIS 345.A O no hydrogen 3.164 N/A ARG 341.A NH1 HIS 345.A O no hydrogen 2.596 N/A ALA 343.A N ASN 306.A O no hydrogen 2.928 N/A GLN 344.A N SER 304.A O no hydrogen 3.231 N/A HIS 345.A N LEU 342.A O no hydrogen 2.946 N/A PHE 346.A N ALA 343.A O no hydrogen 3.100 N/A THR 350.A N ASN 353.A O no hydrogen 3.237 N/A THR 350.A OG1 GLU 352.A OE2 no hydrogen 3.404 N/A ASN 353.A N THR 350.A OG1 no hydrogen 2.876 N/A ASN 353.A ND2 GLU 331.A OE1 no hydrogen 3.214 N/A ILE 355.A N HIS 288.A O no hydrogen 2.884 N/A PHE 356.A N ILE 329.A O no hydrogen 2.720 N/A VAL 357.A N PHE 290.A O no hydrogen 2.938 N/A VAL 358.A N GLU 327.A O no hydrogen 2.831 N/A SER 359.A N GLN 293.A OE1 no hydrogen 2.765 N/A GLU 361.A N SER 359.A OG no hydrogen 3.235 N/A THR 365.A OG1 GLN 293.A O no hydrogen 3.007 N/A ILE 366.A N GLN 294.A O no hydrogen 2.819 N/A GLY 367.A N GLN 294.A O no hydrogen 2.845 N/A LEU 368.A N TYR 571.A OH no hydrogen 2.888 N/A GLU 371.A N TYR 400.A OH no hydrogen 2.788 N/A ARG 381.A N HIS 379.A ND1 no hydrogen 3.289 N/A ASP 385.A N ASP 383.A OD1 no hydrogen 3.371 N/A GLY 386.A N ASP 383.A OD2 no hydrogen 3.151 N/A ASP 387.A N ASP 383.A O no hydrogen 2.720 N/A ALA 388.A N LEU 384.A O no hydrogen 3.461 N/A SER 389.A N ASP 385.A O no hydrogen 3.351 N/A MET 390.A N GLY 386.A O no hydrogen 2.760 N/A ALA 391.A N ASP 387.A O no hydrogen 2.633 N/A LYS 392.A N ALA 388.A O no hydrogen 3.184 N/A LYS 392.A NZ GLU 97.A OE2 no hydrogen 2.655 N/A ALA 393.A N SER 389.A O no hydrogen 3.284 N/A ILE 394.A N MET 390.A O no hydrogen 2.959 N/A THR 395.A N ALA 391.A O no hydrogen 3.097 N/A THR 395.A OG1 ALA 391.A O no hydrogen 2.677 N/A GLY 396.A N LYS 392.A O no hydrogen 2.875 N/A VAL 397.A N ALA 393.A O no hydrogen 2.951 N/A VAL 398.A N ILE 394.A O no hydrogen 3.179 N/A CYS 399.A N THR 395.A O no hydrogen 2.924 N/A CYS 399.A SG THR 395.A O no hydrogen 3.610 N/A TYR 400.A N GLY 396.A O no hydrogen 3.139 N/A ALA 401.A N VAL 397.A O no hydrogen 3.014 N/A CYS 402.A N VAL 398.A O no hydrogen 2.872 N/A CYS 402.A SG VAL 511.A O no hydrogen 4.049 N/A CYS 402.A SG GLN 515.A OE1.A no hydrogen 3.765 N/A ARG 403.A N CYS 399.A O no hydrogen 2.828 N/A ARG 403.A NH1 SER 242.A O no hydrogen 3.418 N/A ARG 403.A NH1 CYS 243.A O no hydrogen 3.359 N/A ARG 403.A NH2 SER 242.A O no hydrogen 3.049 N/A ILE 404.A N TYR 400.A O no hydrogen 2.951 N/A ALA 405.A N ALA 401.A O no hydrogen 2.920 N/A SER 406.A N CYS 402.A O no hydrogen 3.027 N/A THR 407.A N ARG 403.A O no hydrogen 3.020 N/A THR 407.A OG1 ARG 403.A O no hydrogen 3.001 N/A LEU 408.A N ILE 404.A O no hydrogen 2.797 N/A LEU 409.A N ALA 405.A O no hydrogen 3.027 N/A LEU 410.A N SER 406.A O no hydrogen 2.956 N/A TYR 411.A N THR 407.A O no hydrogen 2.833 N/A GLN 412.A N LEU 408.A O no hydrogen 3.177 N/A GLN 412.A NE2 LEU 408.A O no hydrogen 2.633 N/A GLU 413.A N LEU 409.A O no hydrogen 2.932 N/A LEU 414.A N LEU 410.A O no hydrogen 2.802 N/A MET 415.A N TYR 411.A O no hydrogen 2.930 N/A ARG 416.A N GLN 412.A O no hydrogen 2.955 N/A ARG 416.A NE GLU 413.A OE2 no hydrogen 2.906 N/A ARG 416.A NH1 ALA 499.A O no hydrogen 3.095 N/A ARG 416.A NH2 GLU 413.A OE2 no hydrogen 2.797 N/A ARG 416.A NH2 THR 504.A O no hydrogen 2.640 N/A LYS 417.A N GLU 413.A O no hydrogen 3.102 N/A LYS 417.A NZ GLU 352.A O no hydrogen 2.809 N/A GLY 418.A N LEU 414.A O no hydrogen 2.784 N/A ILE 419.A N MET 415.A O no hydrogen 2.890 N/A ARG 420.A N ARG 416.A O no hydrogen 3.104 N/A TRP 421.A N LYS 417.A O no hydrogen 3.004 N/A LEU 422.A N GLY 418.A O no hydrogen 2.807 N/A ILE 423.A N ILE 419.A O no hydrogen 2.899 N/A GLU 424.A N ARG 420.A O no hydrogen 3.356 N/A LEU 425.A N TRP 421.A O no hydrogen 2.918 N/A ILE 426.A N LEU 422.A O no hydrogen 2.790 N/A LYS 427.A N ILE 423.A O no hydrogen 2.962 N/A ASP 428.A N GLU 424.A O no hydrogen 2.998 N/A ASP 429.A N LEU 425.A O no hydrogen 3.055 N/A TYR 430.A N ILE 426.A O no hydrogen 2.797 N/A ASN 431.A N LYS 427.A O no hydrogen 2.881 N/A GLU 432.A N ASP 428.A O no hydrogen 2.624 N/A THR 433.A N ASP 429.A O no hydrogen 3.012 N/A THR 433.A OG1 TYR 430.A O no hydrogen 3.510 N/A VAL 434.A N TYR 430.A O no hydrogen 3.134 N/A HIS 435.A N ASN 431.A O no hydrogen 3.155 N/A LYS 436.A N GLU 432.A O no hydrogen 3.192 N/A LYS 436.A NZ GLU 603.A OE1 no hydrogen 2.859 N/A LYS 436.A NZ GLU 603.A OE2 no hydrogen 2.957 N/A LYS 437.A N THR 433.A O no hydrogen 2.766 N/A LYS 437.A NZ GLU 478.A OE1 no hydrogen 2.368 N/A THR 438.A N VAL 434.A O no hydrogen 3.180 N/A THR 438.A OG1 VAL 434.A O no hydrogen 2.967 N/A GLU 439.A N HIS 435.A O no hydrogen 2.808 N/A VAL 440.A N LYS 436.A O no hydrogen 3.075 N/A VAL 440.A N LYS 437.A O no hydrogen 2.753 N/A VAL 441.A N LYS 437.A O no hydrogen 2.839 N/A ILE 442.A N THR 438.A O no hydrogen 3.186 N/A THR 443.A N VAL 440.A O no hydrogen 3.198 N/A THR 443.A OG1 VAL 440.A O no hydrogen 2.904 N/A LEU 444.A N VAL 440.A O no hydrogen 2.756 N/A ASP 445.A N VAL 441.A O no hydrogen 2.661 N/A CYS 447.A N THR 443.A O no hydrogen 2.701 N/A ILE 448.A N LEU 444.A O no hydrogen 2.811 N/A ARG 449.A N PHE 446.A O no hydrogen 3.228 N/A ASN 450.A N PHE 446.A O no hydrogen 2.892 N/A LYS 453.A N ARG 449.A O no hydrogen 2.955 N/A THR 454.A N ILE 451.A O no hydrogen 3.097 N/A THR 454.A OG1 ILE 451.A O no hydrogen 2.270 N/A LYS 456.A N GLU 452.A O no hydrogen 3.343 N/A VAL 457.A N LYS 453.A O no hydrogen 3.400 N/A ASP 462.A N GLU 459.A O no hydrogen 2.901 N/A ILE 463.A N ILE 460.A O no hydrogen 2.730 N/A HIS 464.A N ILE 460.A O no hydrogen 2.807 N/A THR 465.A N SER 461.A O no hydrogen 3.137 N/A THR 465.A OG1 SER 461.A O no hydrogen 2.732 N/A THR 465.A OG1 ASP 462.A O no hydrogen 3.156 N/A LEU 467.A N ILE 463.A O no hydrogen 3.105 N/A LEU 468.A N HIS 464.A O no hydrogen 2.702 N/A LEU 470.A N LEU 467.A O no hydrogen 2.691 N/A SER 471.A N LEU 467.A O no hydrogen 3.173 N/A SER 472.A N LEU 468.A O no hydrogen 3.118 N/A SER 472.A OG LEU 468.A O no hydrogen 3.517 N/A SER 472.A OG ARG 469.A O no hydrogen 2.501 N/A SER 473.A N ARG 469.A O no hydrogen 2.705 N/A GLN 474.A N LEU 470.A O no hydrogen 2.651 N/A GLY 475.A N SER 471.A O no hydrogen 2.898 N/A GLY 475.A N SER 472.A O no hydrogen 3.189 N/A THR 476.A N SER 472.A O no hydrogen 3.271 N/A THR 476.A OG1 SER 473.A O no hydrogen 2.508 N/A ILE 477.A N SER 473.A O no hydrogen 3.363 N/A GLU 478.A N GLN 474.A O no hydrogen 3.113 N/A THR 479.A N GLY 475.A O no hydrogen 3.274 N/A SER 480.A OG THR 476.A O no hydrogen 3.393 N/A LEU 481.A N ILE 477.A O no hydrogen 2.815 N/A GLN 482.A N GLU 478.A O no hydrogen 2.951 N/A ASP 483.A N SER 480.A O no hydrogen 3.240 N/A ILE 484.A N SER 480.A O no hydrogen 3.124 N/A ASP 485.A N LEU 481.A O no hydrogen 2.811 N/A SER 486.A N GLN 482.A O no hydrogen 3.189 N/A ARG 487.A N ASP 483.A O no hydrogen 3.309 N/A ARG 487.A NE ASP 483.A O no hydrogen 3.437 N/A ARG 487.A NH1 GLN 591.A OE1 no hydrogen 2.300 N/A ARG 487.A NH2 GLN 591.A OE1 no hydrogen 3.266 N/A LEU 488.A N ILE 484.A O no hydrogen 2.954 N/A LEU 488.A N ASP 485.A O no hydrogen 2.952 N/A SER 489.A OG ASP 485.A O no hydrogen 2.803 N/A GLY 492.A N SER 489.A O no hydrogen 2.721 N/A LEU 494.A N ARG 487.A O no hydrogen 3.184 N/A ALA 499.A N ASP 496.A O no hydrogen 2.826 N/A HIS 500.A N ALA 497.A O no hydrogen 2.975 N/A GLN 501.A N TRP 498.A O no hydrogen 2.864 N/A GLU 502.A N TRP 498.A O no hydrogen 2.727 N/A THR 504.A N GLN 412.A OE1 no hydrogen 2.852 N/A HIS 505.A N ASP 508.A OD2 no hydrogen 2.575 N/A ASP 508.A N HIS 505.A O no hydrogen 2.870 N/A ARG 509.A N PRO 506.A O no hydrogen 2.873 N/A GLU 512.A N GLU 512.A OE1 no hydrogen 2.620 N/A LYS 513.A N ARG 509.A O no hydrogen 2.974 N/A LYS 513.A NZ ASP 508.A O no hydrogen 3.191 N/A LEU 514.A N ASN 510.A O no hydrogen 3.148 N/A GLN 515.A N VAL 511.A O no hydrogen 2.881 N/A GLN 515.A NE2.A ASN 519.A OD1 no hydrogen 2.998 N/A VAL 516.A N GLU 512.A O no hydrogen 3.061 N/A LEU 518.A N LEU 514.A O no hydrogen 2.910 N/A ASN 519.A N GLN 515.A O no hydrogen 2.707 N/A CYS 520.A N VAL 516.A O no hydrogen 3.135 N/A CYS 520.A SG VAL 516.A O no hydrogen 3.500 N/A MET 521.A N LEU 517.A O no hydrogen 3.079 N/A THR 522.A N LEU 518.A O no hydrogen 2.816 N/A THR 522.A OG1 LEU 518.A O no hydrogen 2.702 N/A GLU 523.A N ASN 519.A O no hydrogen 3.087 N/A ILE 524.A N CYS 520.A O no hydrogen 3.401 N/A TYR 525.A N MET 521.A O no hydrogen 2.986 N/A TYR 526.A N THR 522.A O no hydrogen 3.016 N/A TYR 526.A OH GLU 98.A OE2.A no hydrogen 2.637 N/A GLN 527.A N GLU 523.A O no hydrogen 3.002 N/A GLN 527.A NE2 ASP 531.A OD1 no hydrogen 3.166 N/A PHE 528.A N ILE 524.A O no hydrogen 2.837 N/A LYS 529.A N TYR 525.A O no hydrogen 2.886 N/A LYS 529.A NZ TYR 525.A OH no hydrogen 2.412 N/A LYS 530.A N TYR 526.A O no hydrogen 2.955 N/A ASP 531.A N GLN 527.A O no hydrogen 2.647 N/A LYS 532.A N PHE 528.A O no hydrogen 2.758 N/A ALA 533.A N LYS 529.A O no hydrogen 3.443 N/A GLU 534.A N LYS 530.A O no hydrogen 3.105 N/A GLU 541.A N GLU 541.A OE2 no hydrogen 2.752 N/A GLU 542.A N ALA 538.A O no hydrogen 2.777 N/A GLN 543.A N TYR 539.A O no hydrogen 3.131 N/A ILE 544.A N ASN 540.A O no hydrogen 2.970 N/A HIS 545.A N GLU 541.A O no hydrogen 2.959 N/A HIS 545.A ND1 ASP 531.A OD2 no hydrogen 3.056 N/A HIS 545.A NE2 ASP 387.A OD2 no hydrogen 2.960 N/A LYS 546.A N GLU 542.A O no hydrogen 3.050 N/A PHE 547.A N GLN 543.A O no hydrogen 2.747 N/A ASP 548.A N ILE 544.A O no hydrogen 3.014 N/A LYS 549.A N HIS 545.A O no hydrogen 3.164 N/A LYS 549.A NZ HIS 379.A O no hydrogen 2.282 N/A LYS 549.A NZ ARG 381.A O no hydrogen 3.235 N/A LYS 549.A NZ ASP 387.A OD1 no hydrogen 3.284 N/A GLN 550.A N LYS 546.A O no hydrogen 3.403 N/A LYS 551.A N PHE 547.A O no hydrogen 2.989 N/A LEU 552.A N ASP 548.A O no hydrogen 2.782 N/A TYR 553.A N LYS 549.A O no hydrogen 3.483 N/A TYR 554.A N GLN 550.A O no hydrogen 2.933 N/A HIS 555.A N LYS 551.A O no hydrogen 2.804 N/A ALA 556.A N LEU 552.A O no hydrogen 2.871 N/A THR 557.A N TYR 553.A O no hydrogen 2.859 N/A THR 557.A OG1 TYR 553.A O no hydrogen 2.933 N/A LYS 558.A N TYR 554.A O no hydrogen 3.157 N/A LYS 558.A NZ TYR 554.A OH no hydrogen 2.808 N/A ALA 559.A N HIS 555.A O no hydrogen 3.040 N/A MET 560.A N ALA 556.A O no hydrogen 2.976 N/A THR 561.A N THR 557.A O no hydrogen 2.982 N/A THR 561.A OG1 THR 557.A O no hydrogen 2.819 N/A HIS 562.A N LYS 558.A O no hydrogen 3.076 N/A HIS 562.A NE2 ASN 510.A OD1 no hydrogen 2.743 N/A PHE 563.A N ALA 559.A O no hydrogen 2.810 N/A THR 564.A N MET 560.A O no hydrogen 2.830 N/A THR 564.A OG1 MET 560.A O no hydrogen 3.034 N/A THR 564.A OG1 THR 561.A O no hydrogen 3.320 N/A THR 564.A OG1 ASP 565.A OD1 no hydrogen 3.017 N/A ASP 565.A N THR 561.A O no hydrogen 2.751 N/A GLU 566.A N HIS 562.A O no hydrogen 2.928 N/A CYS 567.A N HIS 562.A O no hydrogen 3.199 N/A VAL 568.A N PHE 563.A O no hydrogen 2.745 N/A LYS 569.A N THR 564.A O no hydrogen 3.228 N/A LYS 570.A N GLU 566.A O no hydrogen 3.325 N/A LYS 570.A NZ GLU 566.A OE2 no hydrogen 3.036 N/A TYR 571.A N CYS 567.A O no hydrogen 3.112 N/A GLU 572.A N VAL 568.A O no hydrogen 2.925 N/A ALA 573.A N LYS 569.A O no hydrogen 3.158 N/A PHE 574.A N LYS 570.A O no hydrogen 3.033 N/A LEU 575.A N TYR 571.A O no hydrogen 2.943 N/A ASN 576.A N GLU 572.A O no hydrogen 3.115 N/A LYS 577.A N ALA 573.A O no hydrogen 3.041 N/A SER 578.A N PHE 574.A O no hydrogen 2.851 N/A SER 578.A OG PHE 574.A O no hydrogen 3.172 N/A GLU 579.A N LEU 575.A O no hydrogen 2.991 N/A TRP 581.A N LYS 577.A O no hydrogen 3.059 N/A ILE 582.A N SER 578.A O no hydrogen 2.745 N/A ARG 583.A N GLU 579.A O no hydrogen 3.289 N/A LYS 584.A N GLU 580.A O no hydrogen 3.098 N/A MET 585.A N TRP 581.A O no hydrogen 3.009 N/A LEU 586.A N ILE 582.A O no hydrogen 2.996 N/A HIS 587.A N ARG 583.A O no hydrogen 3.294 N/A LEU 588.A N LYS 584.A O no hydrogen 2.832 N/A ARG 589.A N MET 585.A O no hydrogen 2.876 N/A ARG 589.A NH1 GLU 327.A OE2 no hydrogen 3.536 N/A ARG 589.A NH2 GLU 327.A OE1 no hydrogen 3.007 N/A ARG 589.A NH2 GLU 327.A OE2 no hydrogen 3.542 N/A LYS 590.A N LEU 586.A O no hydrogen 3.013 N/A GLN 591.A N HIS 587.A O no hydrogen 3.080 N/A LEU 592.A N LEU 588.A O no hydrogen 2.851 N/A LEU 593.A N ARG 589.A O no hydrogen 2.915 N/A SER 594.A N LYS 590.A O no hydrogen 3.261 N/A LEU 595.A N GLN 591.A O no hydrogen 3.086 N/A THR 596.A N LEU 592.A O no hydrogen 2.891 N/A THR 596.A OG1 LEU 592.A O no hydrogen 2.685 N/A ASN 597.A N LEU 593.A O no hydrogen 2.929 N/A GLN 598.A N SER 594.A O no hydrogen 3.109 N/A GLN 598.A NE2 SER 594.A O no hydrogen 3.237 N/A GLN 598.A NE2 SER 594.A OG no hydrogen 3.176 N/A CYS 599.A N LEU 595.A O no hydrogen 3.155 N/A CYS 599.A SG LEU 595.A O no hydrogen 3.254 N/A PHE 600.A N THR 596.A O no hydrogen 3.113 N/A ASP 601.A N ASN 597.A O no hydrogen 2.927 N/A ILE 602.A N GLN 598.A O no hydrogen 2.983 N/A GLU 603.A N CYS 599.A O no hydrogen 3.120 N/A GLU 604.A N PHE 600.A O no hydrogen 3.216 N/A GLU 605.A N ASP 601.A O no hydrogen 3.347 N/A VAL 606.A N ILE 602.A O no hydrogen 3.183 N/A SER 607.A N GLU 603.A O no hydrogen 3.144 N/A SER 607.A OG GLU 604.A O no hydrogen 2.601 N/A LYS 608.A N GLU 605.A O no hydrogen 3.412 N/A GLN 610.A NE2 SER 607.A O no hydrogen 3.338 N/A ASN 614.A N GLU 611.A O no hydrogen 2.959 N/A GLN 617.A NE2 LEU 616.A O no hydrogen 3.236 N/A