Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4l1b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N ILE 6.A O no hydrogen 3.232 N/A TRP 4.A N PHE 88.A O no hydrogen 3.075 N/A ILE 6.A N LEU 3.A O no hydrogen 2.886 N/A MET 9.A N GLU 2.A OE2 no hydrogen 2.600 N/A ILE 13.A N CYS 29.A O no hydrogen 3.232 N/A VAL 15.A N LEU 27.A O no hydrogen 3.147 N/A GLU 16.A N PRO 90.A O no hydrogen 3.379 N/A CYS 17.A N VAL 25.A O no hydrogen 2.868 N/A CYS 17.A SG VAL 15.A O no hydrogen 3.686 N/A LEU 18.A N LEU 92.A O no hydrogen 2.781 N/A LEU 19.A N MET 23.A O no hydrogen 3.089 N/A ASN 21.A ND2 LEU 51.A O no hydrogen 2.785 N/A GLY 22.A N LEU 19.A O no hydrogen 2.933 N/A MET 23.A N ASN 21.A OD1 no hydrogen 3.433 N/A VAL 25.A N CYS 17.A O no hydrogen 2.798 N/A THR 26.A OG1 GLU 16.A OE1 no hydrogen 3.408 N/A CYS 29.A SG LEU 27.A O no hydrogen 3.522 N/A ARG 31.A N PRO 11.A O no hydrogen 3.023 N/A ARG 31.A NH1 MET 9.A O no hydrogen 3.322 N/A ARG 31.A NH2 ASP 689.A OD1 no hydrogen 3.302 N/A GLU 32.A N GLU 32.A OE2 no hydrogen 2.786 N/A ALA 33.A N LEU 30.A O no hydrogen 3.037 N/A THR 34.A OG1 THR 37.A OG1 no hydrogen 2.674 N/A ILE 36.A N GLU 78.A O no hydrogen 2.830 N/A THR 37.A OG1 THR 34.A OG1 no hydrogen 2.674 N/A ILE 38.A N THR 34.A O no hydrogen 2.890 N/A LYS 39.A N LEU 35.A O no hydrogen 2.661 N/A LYS 39.A NZ GLU 58.A O no hydrogen 3.290 N/A LYS 39.A NZ GLU 78.A OE1 no hydrogen 3.138 N/A HIS 40.A N ILE 36.A O no hydrogen 3.020 N/A GLU 41.A N THR 37.A O no hydrogen 3.036 N/A LEU 42.A N ILE 38.A O no hydrogen 2.724 N/A PHE 43.A N LYS 39.A O no hydrogen 2.923 N/A LYS 44.A N HIS 40.A O no hydrogen 3.230 N/A GLU 45.A N GLU 41.A O no hydrogen 3.343 N/A ARG 47.A N LYS 44.A O no hydrogen 3.299 N/A LYS 48.A N GLU 45.A O no hydrogen 3.035 N/A TYR 49.A N ALA 46.A O no hydrogen 2.984 N/A LEU 54.A N LEU 51.A O no hydrogen 3.378 N/A LEU 55.A N HIS 52.A O no hydrogen 3.013 N/A GLN 56.A N TYR 61.A OH no hydrogen 3.087 N/A SER 59.A N ASP 57.A OD1 no hydrogen 2.989 N/A SER 59.A OG ASP 57.A OD1 no hydrogen 3.079 N/A SER 60.A N ASP 57.A O no hydrogen 2.859 N/A SER 60.A OG GLN 56.A OE1 no hydrogen 2.724 N/A TYR 61.A N GLU 58.A O no hydrogen 2.775 N/A ILE 62.A N ILE 95.A O no hydrogen 3.212 N/A VAL 64.A N LYS 93.A O no hydrogen 2.601 N/A SER 65.A N GLU 73.A O no hydrogen 3.143 N/A SER 65.A OG PHE 91.A O no hydrogen 2.959 N/A VAL 66.A N SER 65.A OG no hydrogen 2.473 N/A THR 67.A N GLU 71.A O no hydrogen 2.999 N/A THR 67.A OG1 GLU 71.A O no hydrogen 3.496 N/A GLU 69.A N THR 67.A OG1 no hydrogen 3.323 N/A ALA 70.A N THR 67.A O no hydrogen 3.265 N/A GLU 71.A N THR 67.A OG1 no hydrogen 3.360 N/A GLU 73.A N SER 65.A O no hydrogen 2.836 N/A PHE 75.A N PHE 63.A O no hydrogen 2.946 N/A THR 79.A N ASP 77.A OD1 no hydrogen 3.269 N/A THR 79.A OG1 ASP 77.A OD1 no hydrogen 2.468 N/A ARG 80.A N ASP 77.A O no hydrogen 3.095 N/A ARG 80.A NH2 ASP 84.A O no hydrogen 2.612 N/A ARG 81.A NE GLU 32.A O no hydrogen 3.252 N/A ARG 81.A NH1 ASP 692.A OD2 no hydrogen 3.257 N/A LEU 82.A N ALA 33.A O no hydrogen 2.977 N/A CYS 83.A SG ARG 31.A O no hydrogen 3.181 N/A CYS 83.A SG ASP 84.A OD2 no hydrogen 3.752 N/A CYS 83.A SG ASP 689.A OD1 no hydrogen 3.674 N/A ASP 84.A N ARG 81.A O no hydrogen 3.076 N/A LEU 85.A N LEU 82.A O no hydrogen 3.453 N/A ARG 86.A NH1 GLU 69.A OE1 no hydrogen 3.225 N/A ARG 86.A NH1 GLU 69.A OE2 no hydrogen 2.506 N/A ARG 86.A NH2 GLU 69.A OE1 no hydrogen 3.076 N/A ARG 86.A NH2 GLU 69.A OE2 no hydrogen 3.373 N/A PHE 88.A N VAL 66.A O no hydrogen 2.757 N/A PHE 91.A N GLN 89.A O no hydrogen 2.925 N/A LEU 92.A N GLU 16.A O no hydrogen 2.961 N/A LYS 93.A N VAL 64.A O no hydrogen 2.653 N/A VAL 94.A N LEU 18.A O no hydrogen 3.220 N/A ILE 95.A N ILE 62.A O no hydrogen 3.172 N/A GLU 102.A N ASN 100.A OD1 no hydrogen 3.008 N/A GLU 103.A N ASN 100.A OD1 no hydrogen 3.407 N/A LYS 104.A N ASN 100.A O no hydrogen 3.371 N/A LYS 104.A NZ GLU 74.A OE1 no hydrogen 3.523 N/A LYS 104.A NZ VAL 98.A O no hydrogen 2.388 N/A ILE 105.A N ARG 101.A O no hydrogen 3.144 N/A LEU 106.A N GLU 102.A O no hydrogen 3.039 N/A ASN 107.A N GLU 103.A O no hydrogen 2.792 N/A ARG 108.A N LYS 104.A O no hydrogen 3.247 N/A GLU 109.A N ILE 105.A O no hydrogen 3.192 N/A ILE 110.A N LEU 106.A O no hydrogen 2.856 N/A GLY 111.A N ASN 107.A O no hydrogen 2.934 N/A PHE 112.A N ARG 108.A O no hydrogen 3.165 N/A ALA 113.A N GLU 109.A O no hydrogen 3.059 N/A ILE 114.A N ILE 110.A O no hydrogen 2.756 N/A GLY 115.A N GLY 111.A O no hydrogen 3.084 N/A CYS 119.A SG GLU 71.A OE2 no hydrogen 3.240 N/A GLU 120.A N PRO 117.A O no hydrogen 3.074 N/A PHE 121.A N VAL 118.A O no hydrogen 2.934 N/A VAL 124.A N PHE 121.A O no hydrogen 3.118 N/A VAL 129.A N ASP 126.A O no hydrogen 3.266 N/A GLN 130.A NE2 PHE 121.A O no hydrogen 2.835 N/A GLN 130.A NE2 VAL 124.A O no hydrogen 3.050 N/A ASP 131.A N PRO 127.A O no hydrogen 2.740 N/A PHE 132.A N GLU 128.A O no hydrogen 2.969 N/A ARG 133.A N VAL 129.A O no hydrogen 2.904 N/A ARG 133.A NH1 ASP 122.A OD1 no hydrogen 2.426 N/A ARG 133.A NH2 GLU 635.A OE1 no hydrogen 3.157 N/A ARG 134.A N GLN 130.A O no hydrogen 3.263 N/A ASN 135.A N ASP 131.A O no hydrogen 2.903 N/A ILE 136.A N PHE 132.A O no hydrogen 2.931 N/A LEU 137.A N ARG 134.A O no hydrogen 3.240 N/A ASN 138.A N ASN 135.A O no hydrogen 3.052 N/A VAL 139.A N ILE 136.A O no hydrogen 2.978 N/A CYS 140.A N ILE 136.A O no hydrogen 3.281 N/A CYS 140.A SG ILE 136.A O no hydrogen 3.694 N/A CYS 140.A SG SER 636.A O no hydrogen 3.741 N/A LYS 141.A N LEU 137.A O no hydrogen 2.788 N/A GLU 142.A N ASN 138.A O no hydrogen 3.007 N/A ALA 143.A N VAL 139.A O no hydrogen 2.844 N/A VAL 144.A N CYS 140.A O no hydrogen 3.100 N/A ASP 145.A N LYS 141.A O no hydrogen 3.253 N/A LEU 146.A N GLU 142.A O no hydrogen 3.328 N/A ARG 147.A N ALA 143.A O no hydrogen 3.240 N/A ARG 147.A NH1 LEU 604.A O no hydrogen 2.569 N/A ARG 147.A NH1 ALA 640.A O no hydrogen 3.350 N/A ARG 147.A NH2 ALA 640.A O no hydrogen 3.073 N/A ASP 148.A N ASP 145.A O no hydrogen 3.012 N/A ASN 150.A N SER 154.A OG no hydrogen 2.883 N/A ASN 150.A ND2 ASN 150.A O no hydrogen 2.888 N/A SER 151.A N ASP 148.A O no hydrogen 3.401 N/A HIS 153.A ND1 TYR 272.A OH no hydrogen 2.889 N/A SER 154.A N ASN 150.A O no hydrogen 2.983 N/A ALA 156.A N PRO 152.A O no hydrogen 3.378 N/A MET 157.A N HIS 153.A O no hydrogen 3.118 N/A TYR 158.A N SER 154.A O no hydrogen 3.291 N/A TYR 158.A OH CYS 641.A O no hydrogen 2.912 N/A VAL 159.A N ARG 155.A O no hydrogen 3.309 N/A TYR 160.A N ALA 156.A O no hydrogen 2.703 N/A GLU 165.A N GLN 247.A O no hydrogen 2.782 N/A SER 166.A OG THR 570.A OG1 no hydrogen 2.894 N/A SER 166.A OG ASP 572.A OD2 no hydrogen 2.697 N/A GLU 169.A N SER 167.A OG no hydrogen 3.095 N/A ILE 174.A N PRO 171.A O no hydrogen 2.941 N/A TYR 175.A N PRO 171.A O no hydrogen 3.214 N/A ASN 176.A N LYS 172.A O no hydrogen 2.955 N/A LYS 177.A N ILE 174.A O no hydrogen 3.149 N/A LYS 177.A NZ MET 256.A O no hydrogen 3.366 N/A LYS 177.A NZ ASP 776.A OD2 no hydrogen 3.292 N/A LEU 178.A N TYR 175.A O no hydrogen 3.093 N/A ASP 179.A N GLN 182.A O no hydrogen 2.781 N/A GLN 182.A N ASP 179.A O no hydrogen 2.883 N/A GLN 182.A NE2 ASN 205.A OD1 no hydrogen 2.839 N/A ILE 183.A N ILE 204.A O no hydrogen 2.720 N/A VAL 185.A N LEU 202.A O no hydrogen 2.796 N/A VAL 186.A N PRO 261.A O no hydrogen 2.901 N/A TRP 188.A N LEU 263.A O no hydrogen 3.015 N/A TRP 188.A NE1 ASN 262.A OD1 no hydrogen 3.106 N/A ASN 195.A N SER 192.A O no hydrogen 2.804 N/A ASP 196.A N ASN 194.A OD1 no hydrogen 3.039 N/A LYS 197.A N ASP 196.A OD2 no hydrogen 2.771 N/A LYS 197.A NZ ASP 196.A OD2 no hydrogen 3.290 N/A TYR 200.A N ILE 187.A O no hydrogen 3.101 N/A TYR 200.A OH GLN 198.A OE1 no hydrogen 2.982 N/A LEU 202.A N VAL 185.A O no hydrogen 2.757 N/A LYS 203.A NZ ASP 179.A OD2 no hydrogen 2.603 N/A ILE 204.A N ILE 183.A O no hydrogen 3.259 N/A HIS 206.A N GLY 181.A O no hydrogen 3.484 N/A HIS 206.A ND1 SER 246.A OG no hydrogen 3.036 N/A CYS 208.A SG ASN 205.A O no hydrogen 3.382 N/A ILE 214.A N PRO 210.A O no hydrogen 2.827 N/A ALA 215.A N GLU 211.A O no hydrogen 2.764 N/A GLU 216.A N GLN 212.A O no hydrogen 2.843 N/A ALA 217.A N VAL 213.A O no hydrogen 3.421 N/A ARG 219.A N GLU 216.A O no hydrogen 3.016 N/A GLU 223.A N CYS 220.A O no hydrogen 3.109 N/A LYS 227.A N TYR 224.A O no hydrogen 3.221 N/A TYR 228.A N GLN 225.A O no hydrogen 3.370 N/A ILE 229.A N MET 266.A O no hydrogen 2.799 N/A LYS 231.A N MET 264.A O no hydrogen 2.941 N/A LYS 231.A NZ VAL 232.A O no hydrogen 3.092 N/A LYS 231.A NZ CYS 235.A O no hydrogen 2.628 N/A LYS 231.A NZ ASP 733.A OD1 no hydrogen 2.669 N/A VAL 232.A N GLU 237.A O no hydrogen 3.024 N/A CYS 233.A N ASN 262.A O no hydrogen 3.151 N/A CYS 233.A SG ASN 262.A O no hydrogen 3.327 N/A CYS 235.A SG HIS 705.A NE2 no hydrogen 3.645 N/A ASP 236.A N ALA 704.A O no hydrogen 3.052 N/A PHE 239.A N LEU 230.A O no hydrogen 3.229 N/A GLU 241.A N TYR 248.A OH no hydrogen 3.340 N/A TYR 243.A N GLU 241.A O no hydrogen 2.669 N/A LEU 245.A N CYS 208.A O no hydrogen 2.520 N/A SER 246.A N HIS 206.A O no hydrogen 3.259 N/A SER 246.A OG HIS 206.A ND1 no hydrogen 3.036 N/A GLN 247.A N PRO 244.A O no hydrogen 2.950 N/A GLN 247.A NE2 GLU 165.A O no hydrogen 3.233 N/A TYR 248.A N LEU 245.A O no hydrogen 3.218 N/A TYR 248.A OH GLU 241.A O no hydrogen 2.928 N/A LYS 249.A N ASN 163.A O no hydrogen 2.846 N/A LYS 249.A NZ ASP 572.A OD1 no hydrogen 2.543 N/A ARG 252.A N TYR 248.A O no hydrogen 2.951 N/A ARG 252.A NE SER 246.A O no hydrogen 2.648 N/A ARG 252.A NH2 SER 167.A O no hydrogen 3.234 N/A ARG 252.A NH2 SER 246.A O no hydrogen 3.543 N/A SER 253.A N LYS 249.A O no hydrogen 3.087 N/A SER 253.A OG TYR 250.A O no hydrogen 3.522 N/A CYS 254.A N TYR 250.A O no hydrogen 3.095 N/A CYS 254.A SG TYR 250.A O no hydrogen 3.401 N/A ILE 255.A N ILE 251.A O no hydrogen 2.997 N/A MET 256.A N ARG 252.A O no hydrogen 2.985 N/A LEU 257.A N SER 253.A O no hydrogen 2.541 N/A ARG 259.A N CYS 254.A O no hydrogen 2.805 N/A ASN 262.A N TYR 250.A OH no hydrogen 3.222 N/A ASN 262.A ND2 MET 260.A O no hydrogen 2.556 N/A LEU 263.A N VAL 186.A O no hydrogen 2.773 N/A MET 264.A N LYS 231.A O no hydrogen 2.663 N/A LEU 265.A N TRP 188.A O no hydrogen 2.905 N/A MET 266.A N ILE 229.A O no hydrogen 3.173 N/A LYS 268.A N LYS 227.A O no hydrogen 2.903 N/A SER 270.A N ALA 267.A O no hydrogen 2.650 N/A LEU 271.A N ALA 267.A O no hydrogen 3.360 N/A TYR 272.A N LYS 268.A O no hydrogen 3.224 N/A SER 273.A N GLU 269.A O no hydrogen 3.307 N/A SER 273.A OG GLU 269.A O no hydrogen 3.111 N/A SER 273.A OG SER 270.A O no hydrogen 3.343 N/A GLN 274.A N LEU 271.A O no hydrogen 2.836 N/A SER 284.A N GLU 103.A OE2 no hydrogen 3.415 N/A SER 284.A OG GLU 103.A OE1 no hydrogen 3.322 N/A SER 284.A OG GLU 103.A OE2 no hydrogen 3.007 N/A SER 286.A N PRO 283.A O no hydrogen 3.155 N/A SER 286.A OG PRO 283.A O no hydrogen 2.596 N/A THR 289.A OG1 SER 446.A OG no hydrogen 3.423 N/A LYS 292.A N VAL 447.A O no hydrogen 2.924 N/A LYS 292.A NZ PHE 444.A O no hydrogen 2.746 N/A LYS 292.A NZ SER 445.A OG no hydrogen 2.848 N/A LEU 294.A N LYS 449.A O no hydrogen 2.716 N/A TRP 295.A N SER 293.A OG no hydrogen 3.359 N/A VAL 296.A N SER 293.A O no hydrogen 3.345 N/A ILE 297.A N LEU 294.A O no hydrogen 3.429 N/A SER 299.A N ILE 297.A O no hydrogen 3.041 N/A SER 299.A OG ALA 300.A O no hydrogen 3.237 N/A LEU 301.A N ILE 358.A O no hydrogen 3.014 N/A ARG 302.A NE ASP 442.A OD1 no hydrogen 3.265 N/A ARG 302.A NE ASP 442.A OD2 no hydrogen 3.013 N/A ARG 302.A NH2 ASP 442.A OD1 no hydrogen 3.016 N/A ILE 303.A N LEU 354.A O no hydrogen 3.073 N/A LYS 304.A N GLU 440.A O no hydrogen 2.867 N/A ILE 305.A N GLU 352.A O no hydrogen 3.203 N/A LEU 306.A N GLU 438.A O no hydrogen 2.951 N/A ALA 308.A N PRO 348.A O no hydrogen 2.917 N/A THR 309.A N CYS 436.A O no hydrogen 2.982 N/A ASP 317.A N ASN 314.A O no hydrogen 2.946 N/A ASP 319.A N VAL 376.A O no hydrogen 3.126 N/A LYS 320.A N VAL 376.A O no hydrogen 3.482 N/A ILE 321.A N VAL 343.A O no hydrogen 2.771 N/A TYR 322.A N CYS 374.A O no hydrogen 2.993 N/A TYR 322.A OH HIS 383.A ND1 no hydrogen 2.812 N/A VAL 323.A N THR 340.A OG1 no hydrogen 2.745 N/A ARG 324.A N SER 372.A O no hydrogen 2.827 N/A ARG 324.A NH1 ASN 339.A OD1 no hydrogen 2.892 N/A THR 325.A OG1 ARG 324.A O no hydrogen 3.539 N/A GLY 326.A N CYS 370.A O no hydrogen 2.808 N/A TYR 328.A N ARG 368.A O no hydrogen 2.779 N/A HIS 329.A N GLU 332.A O no hydrogen 2.862 N/A GLU 332.A N HIS 329.A O no hydrogen 3.393 N/A LEU 334.A N ILE 327.A O no hydrogen 2.736 N/A CYS 335.A SG ASP 336.A O no hydrogen 3.811 N/A VAL 338.A N THR 325.A O no hydrogen 3.043 N/A THR 340.A N VAL 323.A O no hydrogen 3.060 N/A THR 340.A OG1 GLN 341.A O no hydrogen 3.173 N/A GLN 341.A N GLU 352.A OE1 no hydrogen 2.532 N/A ARG 342.A NH1 GLU 381.A OE1 no hydrogen 2.895 N/A ARG 342.A NH2 GLU 381.A OE1 no hydrogen 2.843 N/A ARG 342.A NH2 GLU 381.A OE2 no hydrogen 3.556 N/A VAL 343.A N ILE 321.A O no hydrogen 2.867 N/A CYS 345.A SG ILE 318.A O no hydrogen 3.184 N/A CYS 345.A SG ASP 319.A O no hydrogen 3.856 N/A ASN 347.A N PRO 344.A O no hydrogen 3.331 N/A ARG 349.A N ASN 347.A O no hydrogen 2.969 N/A TRP 350.A N LEU 306.A O no hydrogen 2.704 N/A ASN 351.A N LEU 306.A O no hydrogen 3.049 N/A GLU 352.A N ILE 305.A O no hydrogen 3.204 N/A LEU 354.A N ILE 303.A O no hydrogen 2.703 N/A TYR 356.A N LEU 301.A O no hydrogen 3.169 N/A ILE 360.A N SER 299.A O no hydrogen 2.978 N/A ASP 362.A N TYR 359.A O no hydrogen 2.730 N/A LEU 363.A N ILE 360.A O no hydrogen 3.050 N/A ARG 365.A NH1 ARG 365.A O no hydrogen 3.052 N/A ARG 365.A NH1 TYR 590.A OH no hydrogen 2.626 N/A ARG 365.A NH2 ASP 395.A O no hydrogen 3.312 N/A ARG 365.A NH2 ASP 398.A OD1 no hydrogen 2.563 N/A ALA 367.A N PRO 364.A O no hydrogen 3.177 N/A ARG 368.A N TYR 328.A O no hydrogen 2.795 N/A ARG 368.A NH1 PRO 422.A O no hydrogen 2.986 N/A ARG 368.A NH2 PRO 422.A O no hydrogen 2.522 N/A ARG 368.A NH2 GLY 424.A O no hydrogen 3.435 N/A LEU 369.A N ILE 391.A O no hydrogen 2.714 N/A CYS 370.A N GLY 326.A O no hydrogen 2.808 N/A CYS 370.A SG ASN 390.A OD1 no hydrogen 3.326 N/A LEU 371.A N GLY 389.A O no hydrogen 3.025 N/A SER 372.A N ARG 324.A O no hydrogen 3.063 N/A SER 372.A OG LEU 419.A O no hydrogen 2.361 N/A ILE 373.A N ALA 387.A O no hydrogen 3.043 N/A CYS 374.A N TYR 322.A O no hydrogen 2.724 N/A CYS 374.A SG SER 372.A OG no hydrogen 3.425 N/A CYS 374.A SG LEU 419.A O no hydrogen 3.878 N/A SER 375.A N CYS 384.A O no hydrogen 2.786 N/A SER 375.A OG CYS 384.A O no hydrogen 3.316 N/A VAL 376.A N LYS 320.A O no hydrogen 2.939 N/A LYS 377.A N GLU 382.A O no hydrogen 2.999 N/A HIS 383.A ND1 TYR 322.A OH no hydrogen 2.812 N/A CYS 384.A N SER 375.A O no hydrogen 3.008 N/A LEU 386.A N ILE 373.A O no hydrogen 2.790 N/A TRP 388.A N TRP 410.A O no hydrogen 3.147 N/A TRP 388.A NE1 PRO 411.A O no hydrogen 2.677 N/A GLY 389.A N LEU 371.A O no hydrogen 3.006 N/A ASN 390.A ND2 ASN 421.A O no hydrogen 2.765 N/A ASN 390.A ND2 GLY 424.A O no hydrogen 3.188 N/A ASN 390.A ND2 VAL 425.A O no hydrogen 3.578 N/A ILE 391.A N LEU 369.A O no hydrogen 2.794 N/A ASN 392.A ND2 GLN 589.A O no hydrogen 3.169 N/A LEU 393.A N ALA 367.A O no hydrogen 3.138 N/A ASP 395.A N THR 399.A O no hydrogen 2.976 N/A TYR 396.A OH ASP 131.A OD2 no hydrogen 3.168 N/A THR 397.A N ASP 395.A OD1 no hydrogen 3.232 N/A THR 397.A OG1 ASP 395.A OD1 no hydrogen 3.062 N/A THR 397.A OG1 ASP 395.A OD2 no hydrogen 3.390 N/A THR 397.A OG1 THR 399.A OG1 no hydrogen 2.991 N/A ASP 398.A N ASP 395.A O no hydrogen 3.105 N/A THR 399.A N ASP 395.A OD1 no hydrogen 2.789 N/A THR 399.A OG1 THR 397.A OG1 no hydrogen 2.991 N/A LEU 400.A N VAL 448.A O no hydrogen 2.796 N/A VAL 401.A N LEU 393.A O no hydrogen 2.880 N/A GLY 403.A N PHE 441.A O no hydrogen 3.007 N/A MET 405.A N LEU 439.A O no hydrogen 2.820 N/A LEU 407.A N LEU 437.A O no hydrogen 2.801 N/A ASN 408.A N SER 428.A OG no hydrogen 2.912 N/A LEU 409.A N PRO 435.A O no hydrogen 2.897 N/A TRP 410.A N TRP 388.A O no hydrogen 2.752 N/A LEU 416.A N PRO 413.A O no hydrogen 3.227 N/A GLY 424.A N ASN 421.A O no hydrogen 3.072 N/A GLY 427.A N ASN 390.A O no hydrogen 2.821 N/A SER 428.A OG ASN 408.A O no hydrogen 3.503 N/A ASN 429.A N ASN 408.A O no hydrogen 3.000 N/A ASN 429.A ND2 LEU 409.A O no hydrogen 3.135 N/A ASN 431.A N ASN 429.A OD1 no hydrogen 3.081 N/A LYS 432.A NZ ASN 429.A O no hydrogen 2.814 N/A GLU 433.A N ASN 431.A OD1 no hydrogen 2.957 N/A THR 434.A OG1 LEU 409.A O no hydrogen 3.452 N/A CYS 436.A N THR 309.A OG1 no hydrogen 3.056 N/A LEU 437.A N LEU 407.A O no hydrogen 2.932 N/A GLU 438.A N CYS 307.A O no hydrogen 2.793 N/A LEU 439.A N MET 405.A O no hydrogen 2.989 N/A GLU 440.A N LYS 304.A O no hydrogen 2.961 N/A PHE 441.A N GLY 403.A O no hydrogen 3.134 N/A SER 445.A OG PHE 444.A O no hydrogen 2.589 N/A SER 446.A OG THR 289.A OG1 no hydrogen 3.423 N/A SER 446.A OG SER 290.A O no hydrogen 3.551 N/A VAL 447.A N SER 446.A OG no hydrogen 2.594 N/A LYS 449.A N LYS 292.A O no hydrogen 2.941 N/A LYS 449.A NZ THR 397.A O no hydrogen 2.796 N/A LYS 449.A NZ THR 397.A OG1 no hydrogen 3.409 N/A LYS 449.A NZ THR 399.A OG1 no hydrogen 3.211 N/A PHE 450.A N ASP 398.A O no hydrogen 3.023 N/A ILE 456.A N ASP 452.A O no hydrogen 3.107 N/A GLU 457.A N MET 453.A O no hydrogen 2.932 N/A GLU 458.A N SER 454.A O no hydrogen 3.015 N/A HIS 459.A N VAL 455.A O no hydrogen 3.093 N/A HIS 459.A NE2 ASP 524.A OD1 no hydrogen 2.734 N/A ALA 460.A N ILE 456.A O no hydrogen 2.916 N/A ASN 461.A N GLU 457.A O no hydrogen 3.021 N/A TRP 462.A N GLU 458.A O no hydrogen 3.449 N/A SER 463.A N HIS 459.A O no hydrogen 2.919 N/A SER 463.A OG HIS 459.A O no hydrogen 3.368 N/A VAL 464.A N ALA 460.A O no hydrogen 3.263 N/A SER 465.A N ASN 461.A O no hydrogen 3.046 N/A SER 465.A OG ASN 461.A O no hydrogen 3.123 N/A ARG 466.A N TRP 462.A O no hydrogen 3.177 N/A LYS 474.A N ARG 470.A O no hydrogen 3.064 N/A GLU 475.A N GLU 471.A O no hydrogen 3.250 N/A GLN 476.A N ASP 473.A O no hydrogen 2.590 N/A LEU 477.A N ASP 473.A O no hydrogen 3.039 N/A ALA 479.A N GLU 475.A O no hydrogen 2.979 N/A ILE 480.A N GLN 476.A O no hydrogen 2.926 N/A SER 481.A N LEU 477.A O no hydrogen 3.044 N/A SER 481.A OG LYS 478.A O no hydrogen 2.591 N/A THR 482.A N ALA 479.A O no hydrogen 3.091 N/A THR 482.A OG1 ALA 479.A O no hydrogen 2.516 N/A ARG 483.A N ILE 480.A O no hydrogen 3.130 N/A LEU 486.A N ASP 484.A OD1 no hydrogen 3.264 N/A SER 487.A N ASP 484.A O no hydrogen 2.676 N/A GLU 488.A N GLU 488.A OE1 no hydrogen 3.320 N/A THR 490.A N GLU 493.A OE1 no hydrogen 2.641 N/A THR 490.A OG1 GLN 492.A OE1 no hydrogen 3.557 N/A THR 490.A OG1 GLU 493.A OE1 no hydrogen 2.881 N/A GLN 492.A N GLN 492.A OE1 no hydrogen 2.918 N/A GLU 493.A N THR 490.A OG1 no hydrogen 3.067 N/A LYS 494.A N THR 490.A O no hydrogen 2.838 N/A LYS 494.A NZ GLU 491.A OE2 no hydrogen 2.863 N/A ASP 495.A N GLU 491.A O no hydrogen 2.944 N/A PHE 496.A N GLN 492.A O no hydrogen 2.945 N/A LEU 497.A N GLU 493.A O no hydrogen 2.870 N/A TRP 498.A N LYS 494.A O no hydrogen 2.894 N/A SER 499.A N ASP 495.A O no hydrogen 2.982 N/A SER 499.A OG ASP 495.A O no hydrogen 3.277 N/A HIS 500.A N PHE 496.A O no hydrogen 3.036 N/A HIS 500.A ND1 PHE 496.A O no hydrogen 2.922 N/A ARG 501.A N TRP 498.A O no hydrogen 3.108 N/A ARG 501.A NH1 TRP 498.A O no hydrogen 3.127 N/A ARG 501.A NH2 GLN 528.A OE1 no hydrogen 2.737 N/A TYR 503.A OH ASN 467.A O no hydrogen 2.984 N/A CYS 504.A N HIS 500.A O no hydrogen 2.938 N/A CYS 504.A SG LEU 497.A O no hydrogen 3.831 N/A CYS 504.A SG HIS 500.A O no hydrogen 3.241 N/A THR 506.A N TYR 503.A O no hydrogen 3.016 N/A THR 506.A OG1 TYR 503.A O no hydrogen 2.474 N/A ILE 507.A N CYS 504.A O no hydrogen 3.064 N/A GLU 509.A N GLU 509.A OE1 no hydrogen 2.746 N/A ILE 510.A N ILE 507.A O no hydrogen 3.216 N/A LEU 511.A N PRO 508.A O no hydrogen 3.167 N/A LYS 513.A NZ ARG 483.A O no hydrogen 2.327 N/A LEU 514.A N ILE 510.A O no hydrogen 2.990 N/A LEU 515.A N LEU 511.A O no hydrogen 2.951 N/A LEU 516.A N PRO 512.A O no hydrogen 3.274 N/A LEU 516.A N LYS 513.A O no hydrogen 3.144 N/A SER 517.A N LEU 514.A O no hydrogen 3.049 N/A SER 517.A OG LYS 513.A O no hydrogen 2.930 N/A LYS 519.A N GLU 525.A OE1 no hydrogen 2.966 N/A TRP 520.A NE1 LEU 515.A O no hydrogen 2.725 N/A ASN 521.A ND2 LEU 334.A O no hydrogen 2.712 N/A SER 522.A N LYS 519.A O no hydrogen 3.172 N/A ARG 523.A N ASP 362.A OD1 no hydrogen 2.824 N/A GLU 525.A N SER 522.A OG no hydrogen 3.313 N/A VAL 526.A N SER 522.A O no hydrogen 3.110 N/A ALA 527.A N ARG 523.A O no hydrogen 2.909 N/A GLN 528.A N ASP 524.A O no hydrogen 3.347 N/A GLN 528.A NE2 ASP 524.A O no hydrogen 3.533 N/A MET 529.A N GLU 525.A O no hydrogen 2.961 N/A TYR 530.A N VAL 526.A O no hydrogen 2.975 N/A TYR 530.A OH ASP 554.A OD1 no hydrogen 2.331 N/A TYR 530.A OH ASP 554.A OD2 no hydrogen 3.273 N/A CYS 531.A SG ALA 527.A O no hydrogen 3.805 N/A LEU 532.A N GLN 528.A O no hydrogen 3.400 N/A VAL 533.A N MET 529.A O no hydrogen 2.890 N/A LYS 534.A N TYR 530.A O no hydrogen 3.003 N/A LYS 534.A NZ GLU 457.A OE2 no hydrogen 3.130 N/A TRP 536.A N VAL 533.A O no hydrogen 3.409 N/A TRP 536.A NE1 PRO 508.A O no hydrogen 3.116 N/A GLU 542.A N GLU 542.A OE2 no hydrogen 2.722 N/A GLN 543.A N LYS 540.A O no hydrogen 2.874 N/A ALA 544.A N LYS 540.A O no hydrogen 2.936 N/A MET 545.A N PRO 541.A O no hydrogen 3.012 N/A GLU 546.A N GLN 543.A O no hydrogen 3.159 N/A LEU 547.A N ALA 544.A O no hydrogen 2.997 N/A LEU 548.A N MET 545.A O no hydrogen 3.192 N/A ASP 549.A N GLU 546.A O no hydrogen 3.389 N/A ASN 551.A N ASP 549.A OD1 no hydrogen 2.644 N/A TYR 552.A N ASP 549.A O no hydrogen 3.191 N/A TYR 552.A OH PRO 512.A O no hydrogen 3.264 N/A MET 556.A N ASP 554.A OD2 no hydrogen 2.932 N/A VAL 557.A N ASP 554.A OD2 no hydrogen 3.494 N/A ARG 558.A N ASP 554.A O no hydrogen 2.966 N/A ARG 558.A NE TYR 552.A O no hydrogen 2.901 N/A ARG 558.A NH1 GLU 588.A OE2 no hydrogen 2.787 N/A ARG 558.A NH2 LEU 548.A O no hydrogen 2.619 N/A ARG 558.A NH2 ASP 549.A O no hydrogen 2.950 N/A GLY 559.A N PRO 555.A O no hydrogen 2.713 N/A PHE 560.A N MET 556.A O no hydrogen 2.922 N/A ALA 561.A N VAL 557.A O no hydrogen 3.050 N/A VAL 562.A N ARG 558.A O no hydrogen 2.820 N/A ARG 563.A N GLY 559.A O no hydrogen 2.954 N/A CYS 564.A N PHE 560.A O no hydrogen 2.977 N/A CYS 564.A SG ILE 539.A O no hydrogen 3.805 N/A CYS 564.A SG PHE 560.A O no hydrogen 3.372 N/A LEU 565.A N ALA 561.A O no hydrogen 3.274 N/A LEU 565.A N VAL 562.A O no hydrogen 2.943 N/A GLU 566.A N VAL 562.A O no hydrogen 3.087 N/A TYR 568.A N CYS 564.A O no hydrogen 3.165 N/A LEU 569.A N LEU 565.A O no hydrogen 3.120 N/A THR 570.A OG1 SER 166.A OG no hydrogen 2.894 N/A LEU 574.A N THR 570.A O no hydrogen 2.786 N/A SER 575.A N ASP 571.A O no hydrogen 2.877 N/A SER 575.A OG ASP 571.A O no hydrogen 3.163 N/A GLN 576.A N ASP 572.A O no hydrogen 3.102 N/A TYR 577.A N LYS 573.A O no hydrogen 2.982 N/A TYR 577.A OH GLU 542.A OE1 no hydrogen 3.144 N/A GLN 580.A NE2 GLN 761.A OE1 no hydrogen 2.638 N/A LEU 581.A N TYR 577.A O no hydrogen 3.145 N/A VAL 582.A N LEU 578.A O no hydrogen 3.002 N/A GLN 583.A N ILE 579.A O no hydrogen 3.069 N/A GLN 583.A NE2 GLU 620.A OE2 no hydrogen 2.270 N/A VAL 584.A N GLN 580.A O no hydrogen 2.810 N/A LEU 585.A N VAL 582.A O no hydrogen 3.132 N/A LYS 586.A N GLN 583.A O no hydrogen 3.164 N/A LYS 586.A NZ GLN 583.A OE1 no hydrogen 2.656 N/A LYS 586.A NZ GLU 620.A OE1 no hydrogen 3.151 N/A LYS 586.A NZ GLU 620.A OE2 no hydrogen 2.738 N/A TYR 587.A N VAL 584.A O no hydrogen 2.891 N/A TYR 587.A OH SER 939.A O no hydrogen 3.356 N/A GLN 589.A NE2 ASN 392.A OD1 no hydrogen 2.785 N/A TYR 590.A OH PHE 394.A O no hydrogen 2.531 N/A LEU 591.A N GLU 128.A OE2 no hydrogen 3.097 N/A ASN 593.A ND2 TYR 590.A O no hydrogen 2.828 N/A VAL 596.A N ASN 593.A OD1 no hydrogen 3.147 N/A ARG 597.A N ASN 593.A O no hydrogen 3.327 N/A ARG 597.A NH2 ASP 592.A OD2 no hydrogen 2.889 N/A PHE 598.A N LEU 594.A O no hydrogen 2.833 N/A LEU 599.A N LEU 595.A O no hydrogen 2.797 N/A LEU 600.A N VAL 596.A O no hydrogen 2.943 N/A LYS 601.A N ARG 597.A O no hydrogen 3.129 N/A LYS 601.A NZ GLU 142.A OE1 no hydrogen 3.554 N/A LYS 602.A N PHE 598.A O no hydrogen 3.210 N/A ALA 603.A N LEU 599.A O no hydrogen 2.897 N/A LEU 604.A N LEU 600.A O no hydrogen 2.940 N/A THR 605.A N LYS 602.A O no hydrogen 3.244 N/A THR 605.A OG1 LYS 601.A O no hydrogen 2.866 N/A THR 605.A OG1 LYS 602.A O no hydrogen 3.354 N/A ASN 606.A ND2 ASP 571.A OD2 no hydrogen 2.818 N/A GLN 607.A N TYR 158.A O no hydrogen 2.919 N/A ARG 608.A N ASN 606.A OD1 no hydrogen 2.959 N/A ARG 608.A NH1 PRO 162.A O no hydrogen 3.455 N/A ARG 608.A NH2 PRO 161.A O no hydrogen 3.379 N/A ILE 609.A N ASN 606.A OD1 no hydrogen 3.313 N/A GLY 610.A N ASN 606.A O no hydrogen 2.840 N/A HIS 611.A N GLN 607.A O no hydrogen 2.840 N/A HIS 611.A ND1 TYR 644.A OH no hydrogen 2.649 N/A HIS 611.A NE2 PRO 700.A O no hydrogen 2.925 N/A PHE 613.A N ILE 609.A O no hydrogen 2.784 N/A PHE 614.A N GLY 610.A O no hydrogen 2.912 N/A TRP 615.A N HIS 611.A O no hydrogen 3.348 N/A TRP 615.A NE1 GLN 651.A OE1 no hydrogen 3.187 N/A HIS 616.A N PHE 612.A O no hydrogen 2.983 N/A LEU 617.A N PHE 613.A O no hydrogen 3.263 N/A LYS 618.A N PHE 614.A O no hydrogen 2.778 N/A LYS 618.A NZ ALA 113.A O no hydrogen 2.938 N/A SER 619.A N TRP 615.A O no hydrogen 2.830 N/A SER 619.A OG TRP 615.A O no hydrogen 3.020 N/A SER 619.A OG HIS 616.A O no hydrogen 2.806 N/A GLU 620.A N LEU 617.A O no hydrogen 3.343 N/A MET 621.A N LYS 618.A O no hydrogen 3.030 N/A ASN 623.A N GLU 620.A O no hydrogen 2.999 N/A THR 625.A N ASN 623.A OD1 no hydrogen 3.394 N/A THR 625.A OG1 ASN 623.A OD1 no hydrogen 2.823 N/A VAL 626.A N ASN 623.A O no hydrogen 3.163 N/A SER 627.A OG MET 621.A O no hydrogen 2.851 N/A SER 627.A OG ASN 623.A O no hydrogen 3.350 N/A ARG 629.A NH1 TYR 590.A O no hydrogen 3.203 N/A PHE 630.A N VAL 626.A O no hydrogen 2.843 N/A GLY 631.A N SER 627.A O no hydrogen 2.752 N/A LEU 632.A N GLN 628.A O no hydrogen 2.798 N/A LEU 633.A N ARG 629.A O no hydrogen 3.013 N/A LEU 634.A N PHE 630.A O no hydrogen 2.857 N/A GLU 635.A N GLY 631.A O no hydrogen 2.963 N/A SER 636.A N LEU 632.A O no hydrogen 3.195 N/A SER 636.A OG LEU 632.A O no hydrogen 3.160 N/A TYR 637.A N LEU 633.A O no hydrogen 3.063 N/A CYS 638.A N LEU 634.A O no hydrogen 2.874 N/A CYS 638.A SG LEU 634.A O no hydrogen 3.416 N/A ARG 639.A N GLU 635.A O no hydrogen 2.916 N/A ARG 639.A NH1 ASN 107.A OD1 no hydrogen 3.533 N/A ARG 639.A NH2 ASN 107.A OD1 no hydrogen 3.100 N/A ARG 639.A NH2 GLU 635.A OE2 no hydrogen 2.844 N/A ALA 640.A N SER 636.A O no hydrogen 3.219 N/A ALA 640.A N TYR 637.A O no hydrogen 3.128 N/A CYS 641.A SG CYS 638.A O no hydrogen 3.672 N/A CYS 641.A SG GLY 642.A O no hydrogen 3.921 N/A MET 643.A N ASP 278.A OD2 no hydrogen 2.490 N/A TYR 644.A OH HIS 611.A ND1 no hydrogen 2.649 N/A LEU 645.A N GLY 642.A O no hydrogen 3.482 N/A LYS 646.A N MET 643.A O no hydrogen 2.988 N/A LYS 646.A NZ GLU 109.A OE1 no hydrogen 3.536 N/A LYS 646.A NZ GLU 109.A OE2 no hydrogen 3.114 N/A LEU 648.A N TYR 644.A O no hydrogen 2.757 N/A ASN 649.A N LEU 645.A O no hydrogen 2.844 N/A ASN 649.A ND2 GLU 109.A O no hydrogen 3.403 N/A ASN 649.A ND2 GLU 109.A OE1 no hydrogen 3.373 N/A ARG 650.A N LYS 646.A O no hydrogen 3.291 N/A ARG 650.A NE GLY 696.A O no hydrogen 3.389 N/A ARG 650.A NH2 HIS 647.A ND1 no hydrogen 2.952 N/A GLN 651.A N HIS 647.A O no hydrogen 3.311 N/A GLN 651.A NE2 HIS 647.A O no hydrogen 3.244 N/A VAL 652.A N LEU 648.A O no hydrogen 2.922 N/A GLU 653.A N ASN 649.A O no hydrogen 2.946 N/A ALA 654.A N ARG 650.A O no hydrogen 3.034 N/A MET 655.A N GLN 651.A O no hydrogen 3.039 N/A GLU 656.A N VAL 652.A O no hydrogen 2.975 N/A LYS 657.A N GLU 653.A O no hydrogen 3.217 N/A LEU 658.A N ALA 654.A O no hydrogen 3.178 N/A ILE 659.A N MET 655.A O no hydrogen 2.825 N/A ASN 660.A N GLU 656.A O no hydrogen 2.924 N/A LEU 661.A N LYS 657.A O no hydrogen 3.064 N/A THR 662.A N LEU 658.A O no hydrogen 3.232 N/A THR 662.A OG1 LEU 658.A O no hydrogen 2.814 N/A THR 662.A OG1 ILE 659.A O no hydrogen 3.200 N/A ASP 663.A N ILE 659.A O no hydrogen 2.968 N/A ILE 664.A N ASN 660.A O no hydrogen 3.049 N/A LEU 665.A N LEU 661.A O no hydrogen 3.063 N/A LYS 666.A N THR 662.A O no hydrogen 3.034 N/A LYS 666.A N ASP 663.A O no hydrogen 3.092 N/A LYS 666.A NZ ASN 749.A O no hydrogen 2.643 N/A GLN 667.A N ASP 663.A O no hydrogen 3.160 N/A GLN 667.A NE2 HIS 7.A NE2 no hydrogen 3.417 N/A GLU 668.A N ILE 664.A O no hydrogen 3.048 N/A GLU 672.A N LYS 669.A O no hydrogen 3.108 N/A VAL 676.A N THR 673.A O no hydrogen 3.102 N/A VAL 676.A N THR 673.A OG1 no hydrogen 3.244 N/A GLN 677.A N THR 673.A O no hydrogen 2.926 N/A GLN 677.A NE2 LEU 665.A O no hydrogen 3.650 N/A GLN 677.A NE2 LYS 669.A O no hydrogen 2.565 N/A MET 678.A N GLN 674.A O no hydrogen 2.945 N/A PHE 680.A N VAL 676.A O no hydrogen 3.077 N/A LEU 681.A N GLN 677.A O no hydrogen 2.884 N/A VAL 682.A N MET 678.A O no hydrogen 2.788 N/A GLU 683.A N LYS 679.A O no hydrogen 3.047 N/A GLN 684.A N PHE 680.A O no hydrogen 3.002 N/A MET 685.A N LEU 681.A O no hydrogen 2.836 N/A ARG 686.A N VAL 682.A O no hydrogen 2.889 N/A ARG 687.A N GLN 684.A O no hydrogen 3.095 N/A ARG 687.A NE ASP 689.A OD2 no hydrogen 3.164 N/A ARG 687.A NH2 GLU 32.A OE2 no hydrogen 3.537 N/A PHE 690.A N ARG 687.A O no hydrogen 2.884 N/A MET 691.A N ARG 687.A O no hydrogen 3.035 N/A ASP 692.A N PRO 688.A O no hydrogen 2.920 N/A LEU 694.A N PHE 690.A O no hydrogen 2.711 N/A GLN 695.A NE2 MET 691.A O no hydrogen 2.946 N/A GLY 696.A N GLY 708.A O no hydrogen 3.211 N/A PHE 697.A N LEU 707.A O no hydrogen 3.088 N/A SER 699.A N HIS 705.A O no hydrogen 2.949 N/A LEU 701.A N SER 699.A OG no hydrogen 3.196 N/A ASN 702.A N SER 699.A OG no hydrogen 3.310 N/A ALA 704.A N ASN 702.A OD1 no hydrogen 3.113 N/A HIS 705.A N ASN 702.A O no hydrogen 2.897 N/A LEU 707.A N PHE 697.A O no hydrogen 2.765 N/A GLY 708.A N GLU 730.A O no hydrogen 2.796 N/A LEU 710.A N GLN 695.A OE1 no hydrogen 2.930 N/A ARG 711.A N ASN 728.A O no hydrogen 2.811 N/A ARG 711.A NE GLU 730.A OE1 no hydrogen 3.292 N/A ARG 711.A NE GLU 730.A OE2 no hydrogen 2.801 N/A ARG 711.A NH2 GLU 730.A OE2 no hydrogen 2.583 N/A GLU 714.A N ARG 711.A O no hydrogen 2.985 N/A CYS 715.A N LEU 712.A O no hydrogen 3.067 N/A CYS 715.A SG ARG 711.A O no hydrogen 3.424 N/A ARG 716.A N TRP 726.A O no hydrogen 3.011 N/A ARG 716.A NH1 GLU 713.A O no hydrogen 2.618 N/A ARG 716.A NH1 CYS 715.A O no hydrogen 3.101 N/A MET 718.A N PRO 724.A O no hydrogen 2.899 N/A LYS 722.A N SER 720.A OG no hydrogen 2.973 N/A ARG 723.A N SER 720.A O no hydrogen 2.901 N/A ARG 723.A NE GLN 677.A OE1 no hydrogen 2.790 N/A ARG 723.A NH1 GLN 677.A OE1 no hydrogen 2.724 N/A ARG 723.A NH2 MET 718.A O no hydrogen 2.581 N/A ARG 723.A NH2 SER 720.A O no hydrogen 3.182 N/A LEU 725.A N PHE 747.A O no hydrogen 2.728 N/A TRP 726.A N ARG 716.A O no hydrogen 2.632 N/A TRP 726.A NE1 GLU 744.A OE1 no hydrogen 2.896 N/A LEU 727.A N ILE 745.A O no hydrogen 2.955 N/A TRP 729.A N ASN 743.A O no hydrogen 2.890 N/A TRP 729.A NE1 LEU 694.A O no hydrogen 2.655 N/A GLU 730.A N ASN 709.A O no hydrogen 2.780 N/A ASN 731.A N GLN 741.A O no hydrogen 2.830 N/A ASN 731.A ND2 GLY 234.A O no hydrogen 3.559 N/A ASN 731.A ND2 PHE 740.A O no hydrogen 2.899 N/A ASP 733.A N ASN 731.A OD1 no hydrogen 3.300 N/A MET 735.A N ASP 733.A OD2 no hydrogen 2.789 N/A SER 736.A N ASP 733.A O no hydrogen 2.913 N/A SER 736.A OG ASN 731.A O no hydrogen 2.916 N/A SER 736.A OG PHE 740.A O no hydrogen 2.937 N/A LEU 738.A N MET 735.A O no hydrogen 3.147 N/A LEU 739.A N SER 736.A O no hydrogen 2.943 N/A ASN 742.A ND2 ASN 728.A OD1 no hydrogen 3.268 N/A ASN 743.A N TRP 729.A O no hydrogen 2.767 N/A ILE 745.A N LEU 727.A O no hydrogen 3.076 N/A ILE 746.A N ILE 794.A O no hydrogen 2.809 N/A PHE 747.A N LEU 725.A O no hydrogen 2.764 N/A LYS 748.A N GLY 792.A O no hydrogen 3.071 N/A ASN 749.A ND2 THR 662.A OG1 no hydrogen 2.784 N/A ASN 749.A ND2 ASP 663.A OD1 no hydrogen 3.277 N/A GLY 750.A N CYS 790.A O no hydrogen 2.758 N/A ARG 754.A N ASP 752.A OD1 no hydrogen 3.213 N/A ARG 754.A NE ASP 752.A OD1 no hydrogen 2.911 N/A ARG 754.A NE ASP 752.A OD2 no hydrogen 3.293 N/A ARG 754.A NH2 ASP 752.A OD2 no hydrogen 2.616 N/A GLN 755.A NE2 ASP 752.A OD2 no hydrogen 3.157 N/A GLN 755.A NE2 GLU 948.A OE1 no hydrogen 3.239 N/A MET 757.A N LEU 753.A O no hydrogen 2.727 N/A LEU 758.A N ARG 754.A O no hydrogen 2.769 N/A THR 759.A N GLN 755.A O no hydrogen 2.762 N/A THR 759.A OG1 GLN 755.A O no hydrogen 2.889 N/A LEU 760.A N ASP 756.A O no hydrogen 2.937 N/A GLN 761.A N MET 757.A O no hydrogen 3.168 N/A GLN 761.A NE2 GLN 576.A O no hydrogen 2.563 N/A GLN 761.A NE2 GLN 580.A OE1 no hydrogen 2.866 N/A ILE 762.A N LEU 758.A O no hydrogen 2.957 N/A ILE 763.A N THR 759.A O no hydrogen 2.959 N/A ARG 764.A N LEU 760.A O no hydrogen 3.169 N/A ARG 764.A NH2 PRO 781.A O no hydrogen 3.333 N/A ILE 765.A N GLN 761.A O no hydrogen 3.049 N/A MET 766.A N ILE 762.A O no hydrogen 2.841 N/A GLU 767.A N ILE 763.A O no hydrogen 2.910 N/A ASN 768.A N ARG 764.A O no hydrogen 2.961 N/A ILE 769.A N ILE 765.A O no hydrogen 2.873 N/A TRP 770.A N MET 766.A O no hydrogen 2.991 N/A TRP 770.A NE1 ALA 923.A O no hydrogen 2.845 N/A GLN 771.A N GLU 767.A O no hydrogen 2.978 N/A ASN 772.A N ASN 768.A O no hydrogen 3.176 N/A ASN 772.A ND2 ASN 768.A OD1 no hydrogen 3.234 N/A GLN 773.A N TRP 770.A O no hydrogen 3.173 N/A GLY 774.A N GLN 771.A O no hydrogen 3.219 N/A LEU 775.A N TRP 770.A O no hydrogen 2.923 N/A LEU 777.A N LEU 775.A O no hydrogen 2.688 N/A MET 779.A N GLU 767.A OE2 no hydrogen 2.661 N/A LEU 780.A N TYR 840.A OH no hydrogen 2.746 N/A GLY 783.A N GLU 795.A OE1 no hydrogen 2.653 N/A CYS 784.A SG LEU 753.A O no hydrogen 3.832 N/A LEU 785.A N LEU 793.A O no hydrogen 2.951 N/A SER 786.A OG GLY 788.A O no hydrogen 3.524 N/A ILE 787.A N VAL 791.A O no hydrogen 2.863 N/A GLY 788.A N VAL 791.A O no hydrogen 3.206 N/A CYS 790.A SG ASP 789.A OD1 no hydrogen 3.904 N/A VAL 791.A N GLY 788.A O no hydrogen 3.370 N/A GLY 792.A N LYS 748.A O no hydrogen 3.015 N/A LEU 793.A N LEU 785.A O no hydrogen 2.893 N/A ILE 794.A N ILE 746.A O no hydrogen 2.959 N/A GLU 795.A N GLY 783.A O no hydrogen 2.924 N/A VAL 796.A N GLU 744.A O no hydrogen 3.152 N/A ARG 798.A NH1 ASN 799.A OD1 no hydrogen 3.083 N/A SER 800.A OG VAL 797.A O no hydrogen 2.955 N/A HIS 801.A N VAL 859.A O no hydrogen 3.081 N/A HIS 801.A NE2 ASP 861.A OD1 no hydrogen 3.360 N/A ILE 803.A N ILE 857.A O no hydrogen 2.956 N/A MET 804.A N ASN 854.A O no hydrogen 2.985 N/A GLN 805.A N THR 802.A OG1 no hydrogen 3.070 N/A ILE 806.A N ILE 803.A O no hydrogen 3.167 N/A GLN 807.A N ILE 803.A O no hydrogen 3.098 N/A GLN 807.A NE2 ASP 895.A OD2 no hydrogen 3.084 N/A CYS 808.A N MET 804.A O no hydrogen 2.737 N/A THR 812.A N ASN 809.A O no hydrogen 3.295 N/A THR 812.A OG1 ASN 809.A O no hydrogen 2.964 N/A HIS 814.A NE2 TYR 826.A OH no hydrogen 2.415 N/A GLN 815.A N HIS 811.A O no hydrogen 3.176 N/A TRP 816.A N THR 812.A O no hydrogen 2.743 N/A LEU 817.A N LEU 813.A O no hydrogen 3.032 N/A LYS 818.A N HIS 814.A O no hydrogen 2.934 N/A LYS 818.A NZ GLN 815.A OE1 no hydrogen 2.921 N/A ASP 819.A N GLN 815.A O no hydrogen 3.222 N/A LYS 820.A N TRP 816.A O no hydrogen 3.147 N/A ASN 821.A N LYS 818.A O no hydrogen 3.097 N/A ASN 821.A ND2 LEU 817.A O no hydrogen 2.975 N/A ASN 821.A ND2 ASP 861.A O no hydrogen 3.341 N/A TYR 826.A N GLY 823.A O no hydrogen 3.086 N/A TYR 826.A OH HIS 814.A NE2 no hydrogen 2.415 N/A ALA 829.A N TYR 826.A O no hydrogen 3.338 N/A ILE 830.A N TYR 826.A O no hydrogen 3.128 N/A PHE 833.A N ALA 829.A O no hydrogen 2.966 N/A THR 834.A N ILE 830.A O no hydrogen 3.030 N/A THR 834.A OG1 ILE 830.A O no hydrogen 2.646 N/A ARG 835.A N ASP 831.A O no hydrogen 2.944 N/A SER 836.A N LEU 832.A O no hydrogen 3.008 N/A SER 836.A OG ARG 778.A O no hydrogen 3.351 N/A SER 836.A OG LEU 832.A O no hydrogen 2.911 N/A CYS 837.A N PHE 833.A O no hydrogen 2.895 N/A ALA 838.A N THR 834.A O no hydrogen 3.027 N/A GLY 839.A N ARG 835.A O no hydrogen 3.023 N/A TYR 840.A N SER 836.A O no hydrogen 3.088 N/A CYS 841.A N CYS 837.A O no hydrogen 2.920 N/A CYS 841.A SG PHE 890.A O no hydrogen 3.891 N/A VAL 842.A N ALA 838.A O no hydrogen 3.034 N/A ALA 843.A N GLY 839.A O no hydrogen 2.803 N/A THR 844.A N TYR 840.A O no hydrogen 3.015 N/A THR 844.A OG1 TYR 840.A O no hydrogen 2.688 N/A THR 844.A OG1 CYS 841.A O no hydrogen 3.395 N/A PHE 845.A N CYS 841.A O no hydrogen 3.380 N/A ILE 846.A N VAL 842.A O no hydrogen 3.065 N/A LEU 847.A N ALA 843.A O no hydrogen 3.111 N/A GLY 848.A N THR 844.A O no hydrogen 2.832 N/A GLY 850.A N HIS 872.A O no hydrogen 3.024 N/A ARG 852.A N PRO 889.A O no hydrogen 3.065 N/A ARG 852.A NE GLY 850.A O no hydrogen 2.928 N/A ARG 852.A NH1 GLY 850.A O no hydrogen 2.896 N/A ARG 852.A NH1 ASP 869.A O no hydrogen 3.109 N/A ARG 852.A NH2 ASN 856.A O no hydrogen 3.531 N/A ARG 852.A NH2 ILE 868.A O no hydrogen 2.654 N/A SER 855.A N HIS 853.A ND1 no hydrogen 3.071 N/A ASN 856.A N HIS 853.A ND1 no hydrogen 3.283 N/A ASN 856.A N HIS 853.A O no hydrogen 2.936 N/A MET 858.A N PHE 866.A O no hydrogen 3.007 N/A VAL 859.A N HIS 801.A O no hydrogen 2.907 N/A LYS 860.A N GLN 864.A O no hydrogen 2.768 N/A ASP 861.A N ASN 799.A O no hydrogen 3.171 N/A GLY 863.A N LYS 860.A O no hydrogen 3.332 N/A GLN 864.A N ASP 862.A OD1 no hydrogen 3.512 N/A PHE 866.A N MET 858.A O no hydrogen 2.877 N/A ILE 868.A N ASN 856.A O no hydrogen 3.042 N/A GLY 871.A N ASP 756.A OD1 no hydrogen 2.561 N/A LEU 874.A N LEU 847.A O no hydrogen 2.681 N/A ASP 875.A N GLY 848.A O no hydrogen 2.879 N/A LYS 878.A NZ ASP 875.A OD2 no hydrogen 3.570 N/A LYS 879.A N HIS 876.A O no hydrogen 3.366 N/A TYR 883.A OH ASP 875.A OD1 no hydrogen 3.064 N/A LYS 884.A NZ GLY 882.A O no hydrogen 3.166 N/A ARG 887.A NE ASP 875.A OD1 no hydrogen 3.269 N/A ARG 887.A NH1 ILE 849.A O no hydrogen 3.343 N/A ARG 887.A NH1 ASP 851.A OD1 no hydrogen 2.995 N/A ARG 887.A NH2 ILE 849.A O no hydrogen 3.213 N/A ARG 887.A NH2 ASP 875.A OD1 no hydrogen 3.549 N/A LEU 892.A N HIS 983.A NE2 no hydrogen 3.027 N/A THR 893.A OG1 ASP 895.A OD1 no hydrogen 3.189 N/A PHE 896.A N THR 893.A O no hydrogen 2.875 N/A LEU 897.A N THR 893.A O no hydrogen 3.126 N/A ILE 898.A N GLN 894.A O no hydrogen 2.783 N/A ILE 900.A N PHE 896.A O no hydrogen 2.905 N/A SER 901.A N LEU 897.A O no hydrogen 2.677 N/A SER 901.A OG LEU 897.A O no hydrogen 2.922 N/A SER 901.A OG CYS 907.A O no hydrogen 3.175 N/A LYS 902.A N VAL 899.A O no hydrogen 3.306 N/A LYS 902.A NZ ASP 827.A OD2 no hydrogen 2.737 N/A GLY 903.A N ILE 898.A O no hydrogen 2.982 N/A ALA 904.A N SER 901.A O no hydrogen 2.897 N/A GLN 905.A N GLN 905.A OE1 no hydrogen 2.529 N/A LYS 909.A N GLU 906.A O no hydrogen 3.046 N/A GLU 912.A N THR 910.A OG1 no hydrogen 2.875 N/A GLU 914.A N THR 910.A O no hydrogen 3.114 N/A ARG 915.A N ARG 911.A O no hydrogen 3.116 N/A PHE 916.A N GLU 912.A O no hydrogen 2.778 N/A GLN 917.A N PHE 913.A O no hydrogen 2.730 N/A GLN 917.A NE2 THR 988.A O no hydrogen 2.840 N/A GLU 918.A N GLU 914.A O no hydrogen 3.248 N/A MET 919.A N ARG 915.A O no hydrogen 3.380 N/A MET 919.A N PHE 916.A O no hydrogen 3.180 N/A CYS 920.A N PHE 916.A O no hydrogen 3.333 N/A CYS 920.A SG PHE 916.A O no hydrogen 3.426 N/A TYR 921.A N GLN 917.A O no hydrogen 3.099 N/A LYS 922.A N GLU 918.A O no hydrogen 2.986 N/A ALA 923.A N MET 919.A O no hydrogen 2.840 N/A TYR 924.A N CYS 920.A O no hydrogen 2.748 N/A TYR 924.A OH THR 961.A O no hydrogen 2.580 N/A LEU 925.A N TYR 921.A O no hydrogen 3.285 N/A ALA 926.A N LYS 922.A O no hydrogen 3.042 N/A ILE 927.A N ALA 923.A O no hydrogen 3.159 N/A ARG 928.A N TYR 924.A O no hydrogen 2.963 N/A ARG 928.A NH1 LEU 962.A O no hydrogen 3.418 N/A GLN 929.A N LEU 925.A O no hydrogen 2.936 N/A GLN 929.A NE2 GLU 968.A OE2 no hydrogen 3.252 N/A HIS 930.A N ILE 927.A O no hydrogen 2.889 N/A HIS 930.A ND1 ALA 926.A O no hydrogen 2.905 N/A ALA 931.A N ARG 928.A O no hydrogen 3.349 N/A ILE 935.A N ALA 931.A O no hydrogen 2.869 N/A ASN 936.A N ASN 932.A O no hydrogen 2.815 N/A LEU 937.A N LEU 933.A O no hydrogen 2.880 N/A PHE 938.A N PHE 934.A O no hydrogen 3.004 N/A SER 939.A N ILE 935.A O no hydrogen 2.847 N/A SER 939.A OG ILE 935.A O no hydrogen 2.627 N/A MET 940.A N ASN 936.A O no hydrogen 3.114 N/A MET 941.A N PHE 938.A O no hydrogen 3.058 N/A SER 944.A N MET 941.A O no hydrogen 2.950 N/A SER 944.A OG MET 941.A O no hydrogen 2.893 N/A MET 946.A N SER 944.A OG no hydrogen 3.145 N/A LEU 949.A N MET 946.A O no hydrogen 2.842 N/A GLN 950.A N ASP 954.A OD2 no hydrogen 3.059 N/A GLN 950.A NE2 HIS 414.A O no hydrogen 2.657 N/A SER 951.A OG ASP 954.A OD1 no hydrogen 3.525 N/A ASP 954.A N SER 951.A O no hydrogen 3.071 N/A ALA 956.A N PHE 952.A O no hydrogen 3.117 N/A ALA 956.A N ASP 953.A O no hydrogen 3.242 N/A ILE 958.A N ILE 955.A O no hydrogen 3.229 N/A ARG 959.A NH1 ASP 484.A OD1 no hydrogen 2.647 N/A ARG 959.A NH2 ASP 965.A OD1 no hydrogen 2.613 N/A LYS 960.A N ALA 956.A O no hydrogen 3.182 N/A THR 961.A N TYR 957.A O no hydrogen 3.049 N/A THR 961.A OG1 ILE 846.A O no hydrogen 2.856 N/A THR 961.A OG1 TYR 957.A O no hydrogen 3.314 N/A LEU 962.A N ILE 958.A O no hydrogen 2.894 N/A ALA 963.A N LYS 960.A O no hydrogen 2.776 N/A LEU 964.A N ARG 959.A O no hydrogen 3.018 N/A LYS 966.A N ALA 963.A O no hydrogen 3.155 N/A THR 967.A N GLU 970.A OE1 no hydrogen 2.977 N/A GLN 969.A NE2 GLU 973.A OE1 no hydrogen 3.066 N/A ALA 971.A N THR 967.A O no hydrogen 2.747 N/A LEU 972.A N GLU 968.A O no hydrogen 3.236 N/A GLU 973.A N GLN 969.A O no hydrogen 3.313 N/A TYR 974.A N GLU 970.A O no hydrogen 2.787 N/A TYR 974.A OH GLU 886.A OE1 no hydrogen 2.615 N/A PHE 975.A N ALA 971.A O no hydrogen 3.064 N/A MET 976.A N LEU 972.A O no hydrogen 2.929 N/A LYS 977.A N GLU 973.A O no hydrogen 2.781 N/A LYS 977.A NZ ASP 981.A OD2 no hydrogen 3.217 N/A GLN 978.A N TYR 974.A O no hydrogen 2.897 N/A GLN 978.A NE2 TYR 974.A O no hydrogen 3.645 N/A MET 979.A N PHE 975.A O no hydrogen 3.022 N/A ASN 980.A N MET 976.A O no hydrogen 2.955 N/A ASN 980.A ND2 GLY 985.A O no hydrogen 3.054 N/A ASN 980.A ND2 TRP 987.A O no hydrogen 2.448 N/A ASP 981.A N LYS 977.A O no hydrogen 3.252 N/A ALA 982.A N GLN 978.A O no hydrogen 3.298 N/A HIS 983.A N MET 979.A O no hydrogen 2.709 N/A HIS 983.A ND1 MET 979.A O no hydrogen 2.952 N/A HIS 984.A N ASP 981.A O no hydrogen 3.409 N/A GLY 985.A N ASN 980.A O no hydrogen 2.701 N/A GLY 986.A N HIS 983.A O no hydrogen 2.897 N/A TRP 987.A NE1 TYR 921.A OH no hydrogen 2.944 N/A THR 988.A OG1 THR 908.A O no hydrogen 2.865 N/A