Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6w4k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N VAL 1.A O no hydrogen 3.167 N/A ALA 5.A N VAL 1.A O no hydrogen 3.336 N/A PHE 6.A N GLU 2.A O no hydrogen 3.428 N/A GLN 7.A NE2 LEU 164.A O no hydrogen 3.541 N/A GLN 7.A NE2 ASN 167.A O no hydrogen 3.565 N/A SER 8.A N ALA 5.A O no hydrogen 3.156 N/A SER 8.A OG ALA 4.A O no hydrogen 3.228 N/A ARG 9.A N PHE 6.A O no hydrogen 2.889 N/A ARG 9.A NH1 GLY 166.A O no hydrogen 2.887 N/A LEU 10.A N ALA 5.A O no hydrogen 2.509 N/A THR 16.A N GLU 19.A OE1 no hydrogen 3.078 N/A ALA 20.A N THR 16.A O no hydrogen 2.834 N/A ALA 21.A N SER 17.A O no hydrogen 3.153 N/A ALA 21.A N GLN 18.A O no hydrogen 2.992 N/A CYS 22.A N GLN 18.A O no hydrogen 3.219 N/A CYS 22.A SG GLN 18.A O no hydrogen 3.454 N/A ILE 26.A N PHE 23.A O no hydrogen 3.147 N/A ILE 27.A N PHE 23.A O no hydrogen 3.431 N/A SER 28.A N PRO 24.A O no hydrogen 3.243 N/A SER 28.A OG PRO 24.A O no hydrogen 2.599 N/A SER 28.A OG ASP 25.A O no hydrogen 3.358 N/A GLY 29.A N ILE 26.A O no hydrogen 3.247 N/A THR 33.A N PRO 30.A O no hydrogen 3.102 N/A THR 33.A OG1 PRO 30.A O no hydrogen 2.825 N/A GLN 34.A NE2 ILE 26.A O no hydrogen 3.677 N/A LYS 35.A N GLN 31.A O no hydrogen 3.367 N/A VAL 36.A N GLN 32.A O no hydrogen 3.338 N/A PHE 37.A N THR 33.A O no hydrogen 2.757 N/A LEU 38.A N GLN 34.A O no hydrogen 2.757 N/A PHE 39.A N LYS 35.A O no hydrogen 2.764 N/A ILE 40.A N VAL 36.A O no hydrogen 2.887 N/A ARG 41.A N PHE 37.A O no hydrogen 2.796 N/A ARG 41.A NE GLU 19.A OE2 no hydrogen 2.803 N/A ARG 41.A NH1 PRO 11.A O no hydrogen 2.925 N/A ARG 41.A NH1 ASN 42.A OD1 no hydrogen 2.744 N/A ARG 41.A NH2 PRO 11.A O no hydrogen 3.411 N/A ARG 41.A NH2 ARG 14.A O no hydrogen 3.003 N/A ARG 41.A NH2 GLU 19.A OE1 no hydrogen 2.695 N/A ASN 42.A N LEU 38.A O no hydrogen 2.924 N/A ASN 42.A ND2 HIS 12.A O no hydrogen 2.828 N/A ARG 43.A N PHE 39.A O no hydrogen 2.660 N/A ARG 43.A NH1 GLN 46.A OE1 no hydrogen 2.915 N/A ARG 43.A NH2 GLN 64.A O no hydrogen 2.949 N/A THR 44.A N ILE 40.A O no hydrogen 2.852 N/A THR 44.A OG1 ILE 40.A O no hydrogen 2.588 N/A LEU 45.A N ARG 41.A O no hydrogen 2.964 N/A GLN 46.A N ASN 42.A O no hydrogen 2.967 N/A GLN 46.A NE2 ASP 50.A OD2 no hydrogen 3.482 N/A LEU 47.A N ARG 43.A O no hydrogen 2.774 N/A TRP 48.A N THR 44.A O no hydrogen 3.016 N/A LEU 49.A N LEU 45.A O no hydrogen 2.778 N/A ASP 50.A N GLN 46.A O no hydrogen 2.732 N/A ASN 51.A N LEU 47.A O no hydrogen 3.387 N/A GLN 55.A N LYS 95.A O no hydrogen 2.988 N/A LEU 56.A N ASN 90.A OD1 no hydrogen 2.673 N/A ALA 60.A N THR 57.A OG1 no hydrogen 2.960 N/A THR 61.A N THR 57.A O no hydrogen 3.362 N/A THR 61.A OG1 THR 57.A O no hydrogen 2.829 N/A LEU 62.A N PHE 58.A O no hydrogen 3.242 N/A GLN 63.A N GLU 59.A O no hydrogen 3.137 N/A GLN 64.A N ALA 60.A O no hydrogen 3.163 N/A GLN 64.A N THR 61.A O no hydrogen 3.241 N/A LEU 65.A N LEU 62.A O no hydrogen 3.247 N/A TYR 69.A N GLU 66.A O no hydrogen 3.116 N/A ASN 70.A N GLU 66.A O no hydrogen 3.491 N/A HIS 77.A N THR 73.A O no hydrogen 3.230 N/A ARG 78.A N VAL 74.A O no hydrogen 2.704 N/A VAL 79.A N LEU 75.A O no hydrogen 3.064 N/A HIS 80.A N VAL 76.A O no hydrogen 2.967 N/A HIS 80.A NE2 LEU 56.A O no hydrogen 2.677 N/A SER 81.A N HIS 77.A O no hydrogen 2.779 N/A SER 81.A OG HIS 77.A O no hydrogen 3.093 N/A TYR 82.A N ARG 78.A O no hydrogen 3.049 N/A LEU 83.A N VAL 79.A O no hydrogen 2.824 N/A GLU 84.A N HIS 80.A O no hydrogen 2.965 N/A ARG 85.A N SER 81.A O no hydrogen 2.975 N/A ARG 85.A NH1 ASP 646.A OD1 no hydrogen 2.945 N/A HIS 86.A N TYR 82.A O no hydrogen 3.151 N/A HIS 86.A ND1 TYR 82.A O no hydrogen 2.900 N/A GLY 87.A N GLU 84.A O no hydrogen 3.376 N/A LEU 88.A N LEU 83.A O no hydrogen 3.092 N/A ASN 90.A ND2 LEU 56.A O no hydrogen 3.268 N/A ASN 90.A ND2 GLU 84.A OE2 no hydrogen 3.478 N/A LYS 95.A N LYS 53.A O no hydrogen 3.257 N/A ILE 97.A N GLN 55.A OE1 no hydrogen 3.034 N/A THR 105.A N GLY 128.A O no hydrogen 3.108 N/A LYS 107.A N ASP 438.A OD2 no hydrogen 2.951 N/A VAL 108.A N ASP 130.A O no hydrogen 2.792 N/A ILE 109.A N ALA 439.A O no hydrogen 3.054 N/A ILE 110.A N THR 132.A O no hydrogen 2.969 N/A ILE 111.A N LEU 441.A O no hydrogen 2.861 N/A GLY 112.A N LEU 134.A O no hydrogen 2.963 N/A SER 113.A N GLU 135.A OE1 no hydrogen 2.573 N/A SER 113.A OG GLU 135.A OE1 no hydrogen 2.898 N/A LEU 118.A N GLY 114.A O no hydrogen 2.890 N/A ALA 119.A N VAL 115.A O no hydrogen 2.916 N/A ALA 120.A N SER 116.A O no hydrogen 3.078 N/A ALA 121.A N GLY 117.A O no hydrogen 2.803 N/A ARG 122.A N LEU 118.A O no hydrogen 2.939 N/A ARG 122.A NE LEU 397.A O no hydrogen 2.853 N/A ARG 122.A NH1 GLY 92.A O no hydrogen 3.028 N/A ARG 122.A NH2 GLU 399.A O no hydrogen 2.934 N/A GLN 123.A N ALA 119.A O no hydrogen 3.184 N/A GLN 123.A NE2 GLU 84.A O no hydrogen 3.380 N/A LEU 124.A N ALA 120.A O no hydrogen 2.818 N/A GLN 125.A N ALA 121.A O no hydrogen 2.829 N/A GLN 125.A NE2 GLY 400.A O no hydrogen 3.020 N/A SER 126.A N ARG 122.A O no hydrogen 2.824 N/A SER 126.A OG GLN 123.A O no hydrogen 2.734 N/A PHE 127.A N GLN 123.A O no hydrogen 2.944 N/A PHE 127.A N LEU 124.A O no hydrogen 3.067 N/A GLY 128.A N GLN 125.A O no hydrogen 2.801 N/A MET 129.A N LEU 124.A O no hydrogen 3.162 N/A ASP 130.A N GLY 106.A O no hydrogen 3.029 N/A THR 132.A N VAL 108.A O no hydrogen 3.099 N/A THR 132.A OG1 ASP 402.A OD2 no hydrogen 2.526 N/A LEU 133.A N ASP 402.A O no hydrogen 2.852 N/A LEU 134.A N ILE 110.A O no hydrogen 2.818 N/A GLU 135.A N LYS 404.A O no hydrogen 2.928 N/A ARG 137.A N GLU 135.A OE2 no hydrogen 3.344 N/A ARG 137.A NH1 ASP 573.A OD1 no hydrogen 3.562 N/A ARG 137.A NH1 ASP 573.A OD2 no hydrogen 2.863 N/A ARG 137.A NH2 ASP 573.A OD2 no hydrogen 3.042 N/A ARG 139.A NH1 VAL 140.A O no hydrogen 2.889 N/A ARG 139.A NH1 GLY 142.A O no hydrogen 3.035 N/A ARG 139.A NH2 GLY 142.A O no hydrogen 2.697 N/A GLY 141.A N SER 113.A O no hydrogen 2.791 N/A ARG 143.A NH1 SER 579.A O no hydrogen 3.070 N/A ARG 143.A NH1 GLU 620.A OE1 no hydrogen 2.805 N/A VAL 144.A N GLY 141.A O no hydrogen 2.937 N/A THR 146.A OG1 ASP 155.A OD1 no hydrogen 2.422 N/A PHE 147.A N ALA 154.A O no hydrogen 2.755 N/A ARG 148.A NH1 ASN 388.A O no hydrogen 2.988 N/A ARG 148.A NH2 ASN 388.A O no hydrogen 2.990 N/A ARG 148.A NH2 GLY 389.A O no hydrogen 3.530 N/A ARG 148.A NH2 SER 391.A OG no hydrogen 2.871 N/A LYS 149.A N TYR 152.A O no hydrogen 3.168 N/A LYS 149.A NZ GLU 564.A OE2 no hydrogen 3.381 N/A TYR 152.A OH PHE 485.A O no hydrogen 2.841 N/A ALA 154.A N PHE 147.A O no hydrogen 3.027 N/A ASP 155.A N TYR 517.A OH no hydrogen 3.067 N/A LEU 156.A N ALA 145.A O no hydrogen 2.655 N/A GLY 157.A N ALA 145.A O no hydrogen 3.427 N/A ALA 158.A N ARG 143.A O no hydrogen 3.368 N/A VAL 161.A N LEU 384.A O no hydrogen 3.028 N/A GLY 163.A N VAL 161.A O no hydrogen 2.490 N/A GLY 165.A N THR 380.A O no hydrogen 2.709 N/A GLY 166.A N GLN 7.A OE1 no hydrogen 2.833 N/A ASN 167.A N LEU 164.A O no hydrogen 3.356 N/A ASN 167.A ND2 GLY 163.A O no hydrogen 3.237 N/A MET 169.A N ASN 167.A OD1 no hydrogen 2.669 N/A GLU 171.A N ASN 388.A OD1 no hydrogen 2.776 N/A ALA 173.A N THR 385.A O no hydrogen 2.871 N/A CYS 179.A SG LEU 496.A O no hydrogen 3.296 N/A GLY 186.A N GLU 183.A O no hydrogen 2.903 N/A GLN 187.A N ASN 185.A OD1 no hydrogen 2.475 N/A LYS 193.A N PRO 190.A O no hydrogen 2.897 N/A LYS 193.A NZ ASP 344.A OD1 no hydrogen 2.694 N/A LYS 193.A NZ ASP 344.A OD2 no hydrogen 3.181 N/A ASP 194.A N PRO 190.A O no hydrogen 3.215 N/A GLU 195.A N LYS 191.A O no hydrogen 3.303 N/A VAL 197.A N LYS 193.A O no hydrogen 3.046 N/A GLU 198.A N ASP 194.A O no hydrogen 3.011 N/A GLN 199.A N GLU 195.A O no hydrogen 3.018 N/A GLU 200.A N MET 196.A O no hydrogen 2.962 N/A PHE 201.A N VAL 197.A O no hydrogen 2.571 N/A ASN 202.A N GLU 198.A O no hydrogen 2.807 N/A ARG 203.A N GLN 199.A O no hydrogen 2.811 N/A LEU 204.A N GLU 200.A O no hydrogen 2.692 N/A LEU 205.A N PHE 201.A O no hydrogen 2.878 N/A GLU 206.A N ASN 202.A O no hydrogen 3.150 N/A ALA 207.A N ARG 203.A O no hydrogen 2.853 N/A THR 208.A N LEU 204.A O no hydrogen 3.215 N/A THR 208.A OG1 LEU 205.A O no hydrogen 2.392 N/A SER 209.A N LEU 205.A O no hydrogen 3.119 N/A TYR 210.A N GLU 206.A O no hydrogen 3.006 N/A LEU 211.A N ALA 207.A O no hydrogen 2.730 N/A SER 212.A N THR 208.A O no hydrogen 2.674 N/A SER 212.A OG ASN 218.A OD1 no hydrogen 2.789 N/A HIS 213.A N SER 209.A O no hydrogen 2.807 N/A LEU 215.A N TYR 210.A O no hydrogen 3.203 N/A ASN 218.A ND2 SER 212.A O no hydrogen 3.024 N/A ASN 218.A ND2 ASP 216.A OD1 no hydrogen 3.525 N/A LEU 220.A N LYS 223.A O no hydrogen 3.176 N/A VAL 225.A N ASN 218.A O no hydrogen 2.925 N/A SER 226.A N GLN 229.A OE1 no hydrogen 3.293 N/A SER 226.A OG GLN 229.A OE1 no hydrogen 3.535 N/A SER 226.A OG SER 364.A O no hydrogen 2.735 N/A LEU 227.A N LEU 366.A O no hydrogen 3.089 N/A GLY 228.A N LEU 363.A O no hydrogen 2.819 N/A GLN 229.A N SER 226.A OG no hydrogen 3.177 N/A ALA 230.A N SER 226.A O no hydrogen 3.085 N/A LEU 231.A N LEU 227.A O no hydrogen 2.834 N/A GLU 232.A N GLY 228.A O no hydrogen 3.021 N/A VAL 233.A N GLN 229.A O no hydrogen 2.947 N/A VAL 234.A N ALA 230.A O no hydrogen 2.775 N/A ILE 235.A N LEU 231.A O no hydrogen 2.866 N/A GLN 236.A N GLU 232.A O no hydrogen 2.735 N/A LEU 237.A N VAL 233.A O no hydrogen 2.924 N/A GLN 238.A N VAL 234.A O no hydrogen 2.976 N/A GLN 238.A N ILE 235.A O no hydrogen 3.175 N/A GLN 238.A NE2 VAL 234.A O no hydrogen 3.383 N/A GLU 239.A N ILE 235.A O no hydrogen 3.008 N/A LYS 240.A N GLN 236.A O no hydrogen 2.792 N/A LYS 240.A NZ ASP 244.A OD2 no hydrogen 2.887 N/A HIS 241.A N LEU 237.A O no hydrogen 3.123 N/A VAL 242.A N GLN 238.A O no hydrogen 2.944 N/A VAL 242.A N GLU 239.A O no hydrogen 3.107 N/A LYS 243.A N GLU 239.A O no hydrogen 3.369 N/A ASP 244.A N LYS 240.A O no hydrogen 2.835 N/A GLU 245.A N HIS 241.A O no hydrogen 3.354 N/A GLU 245.A N VAL 242.A O no hydrogen 3.115 N/A GLN 246.A N VAL 242.A O no hydrogen 2.939 N/A ILE 247.A N LYS 243.A O no hydrogen 2.707 N/A GLU 248.A N ASP 244.A O no hydrogen 3.204 N/A HIS 249.A N GLU 245.A O no hydrogen 3.078 N/A TRP 250.A N GLN 246.A O no hydrogen 3.165 N/A LYS 251.A N ILE 247.A O no hydrogen 3.126 N/A LYS 252.A N GLU 248.A O no hydrogen 3.244 N/A LYS 252.A N HIS 249.A O no hydrogen 2.849 N/A ILE 253.A N HIS 249.A O no hydrogen 2.799 N/A LYS 255.A N LYS 251.A O no hydrogen 3.232 N/A GLN 257.A N ILE 253.A O no hydrogen 2.892 N/A GLU 258.A N VAL 254.A O no hydrogen 2.790 N/A GLU 258.A N LYS 255.A O no hydrogen 3.347 N/A GLU 259.A N THR 256.A O no hydrogen 3.041 N/A LEU 260.A N THR 256.A O no hydrogen 3.246 N/A LYS 261.A N GLN 257.A O no hydrogen 3.370 N/A LEU 264.A N LEU 260.A O no hydrogen 2.753 N/A ASN 265.A N LYS 261.A O no hydrogen 3.001 N/A MET 267.A N LEU 263.A O no hydrogen 2.895 N/A VAL 268.A N LEU 264.A O no hydrogen 3.023 N/A VAL 268.A N ASN 265.A O no hydrogen 2.754 N/A ASN 269.A N ASN 265.A O no hydrogen 3.019 N/A LYS 271.A N MET 267.A O no hydrogen 3.466 N/A GLU 272.A N VAL 268.A O no hydrogen 2.980 N/A ILE 274.A N LEU 270.A O no hydrogen 2.530 N/A LYS 275.A N LYS 271.A O no hydrogen 2.795 N/A GLU 276.A N GLU 272.A O no hydrogen 3.314 N/A LEU 277.A N LYS 273.A O no hydrogen 3.513 N/A HIS 278.A N ILE 274.A O no hydrogen 3.023 N/A GLN 279.A N LYS 275.A O no hydrogen 3.005 N/A GLN 279.A NE2 GLU 283.A OE2 no hydrogen 3.096 N/A GLN 280.A N GLU 276.A O no hydrogen 2.914 N/A TYR 281.A N LEU 277.A O no hydrogen 2.904 N/A LYS 282.A N HIS 278.A O no hydrogen 2.949 N/A GLU 283.A N GLN 279.A O no hydrogen 3.155 N/A ALA 284.A N GLN 280.A O no hydrogen 3.029 N/A SER 285.A N TYR 281.A O no hydrogen 2.810 N/A SER 285.A OG TYR 281.A O no hydrogen 3.404 N/A GLU 286.A N LYS 282.A O no hydrogen 3.022 N/A GLU 286.A N GLU 283.A O no hydrogen 2.893 N/A ARG 291.A NE GLU 296.A OE1 no hydrogen 2.839 N/A ARG 291.A NH1 VAL 287.A O no hydrogen 2.668 N/A ARG 291.A NH2 GLU 296.A OE1 no hydrogen 3.435 N/A THR 294.A OG1 ASP 292.A OD1 no hydrogen 3.287 N/A ALA 295.A N ASP 292.A O no hydrogen 3.267 N/A ALA 295.A N ASP 292.A OD1 no hydrogen 3.216 N/A GLU 296.A N ASP 292.A O no hydrogen 3.108 N/A PHE 297.A N ILE 293.A O no hydrogen 2.944 N/A LEU 298.A N THR 294.A O no hydrogen 3.343 N/A VAL 299.A N ALA 295.A O no hydrogen 3.225 N/A LYS 300.A N GLU 296.A O no hydrogen 2.868 N/A SER 301.A N PHE 297.A O no hydrogen 2.618 N/A LYS 302.A N LEU 298.A O no hydrogen 3.335 N/A LYS 302.A NZ GLN 280.A OE1 no hydrogen 3.040 N/A HIS 303.A N VAL 299.A O no hydrogen 3.036 N/A ARG 304.A N LYS 300.A O no hydrogen 2.922 N/A ASP 305.A N SER 301.A O no hydrogen 2.920 N/A THR 307.A N HIS 303.A O no hydrogen 3.230 N/A THR 307.A OG1 HIS 303.A O no hydrogen 3.445 N/A THR 307.A OG1 ARG 304.A O no hydrogen 3.106 N/A ALA 308.A N ARG 304.A O no hydrogen 2.952 N/A LEU 309.A N ASP 305.A O no hydrogen 3.382 N/A CYS 310.A N LEU 306.A O no hydrogen 2.998 N/A CYS 310.A SG LEU 306.A O no hydrogen 3.265 N/A LYS 311.A N THR 307.A O no hydrogen 3.240 N/A GLU 312.A N ALA 308.A O no hydrogen 3.082 N/A TYR 313.A N LEU 309.A O no hydrogen 3.313 N/A ASP 314.A N CYS 310.A O no hydrogen 3.194 N/A GLU 315.A N LYS 311.A O no hydrogen 2.892 N/A LEU 316.A N GLU 312.A O no hydrogen 3.230 N/A ALA 317.A N ASP 314.A O no hydrogen 3.120 N/A GLU 318.A N ASP 314.A O no hydrogen 3.318 N/A THR 319.A N GLU 315.A O no hydrogen 3.396 N/A THR 319.A OG1 GLU 315.A O no hydrogen 3.475 N/A GLN 320.A NE2 GLU 324.A OE2 no hydrogen 3.302 N/A GLY 321.A N GLU 318.A O no hydrogen 2.661 N/A LYS 322.A N GLU 318.A O no hydrogen 3.075 N/A LEU 323.A N THR 319.A O no hydrogen 3.301 N/A GLU 324.A N GLY 321.A O no hydrogen 3.226 N/A GLU 325.A N GLY 321.A O no hydrogen 3.172 N/A GLU 325.A N LYS 322.A O no hydrogen 3.005 N/A LYS 326.A N LYS 322.A O no hydrogen 2.839 N/A GLN 328.A N GLU 325.A O no hydrogen 2.565 N/A GLU 329.A N GLU 325.A O no hydrogen 2.806 N/A LEU 330.A N LYS 326.A O no hydrogen 3.432 N/A GLU 331.A N LEU 327.A O no hydrogen 2.984 N/A ALA 332.A N GLU 329.A O no hydrogen 2.506 N/A ASN 333.A N LEU 330.A O no hydrogen 3.314 N/A TYR 339.A OH GLU 200.A OE2 no hydrogen 2.657 N/A SER 341.A N ASP 344.A OD2 no hydrogen 3.065 N/A ASP 344.A N SER 341.A OG no hydrogen 2.476 N/A GLN 346.A N SER 342.A O no hydrogen 3.006 N/A GLN 346.A NE2 SER 502.A O no hydrogen 3.141 N/A ILE 347.A N ARG 343.A O no hydrogen 3.367 N/A LEU 348.A N ASP 344.A O no hydrogen 2.797 N/A ASP 349.A N ARG 345.A O no hydrogen 3.054 N/A TRP 350.A NE1 PHE 511.A O no hydrogen 2.739 N/A HIS 351.A N ILE 347.A O no hydrogen 3.075 N/A PHE 352.A N LEU 348.A O no hydrogen 2.941 N/A ALA 353.A N ASP 349.A O no hydrogen 2.922 N/A ASN 354.A N TRP 350.A O no hydrogen 2.899 N/A LEU 355.A N HIS 351.A O no hydrogen 3.352 N/A GLU 356.A N PHE 352.A O no hydrogen 2.781 N/A PHE 357.A N ASN 354.A O no hydrogen 3.338 N/A ALA 358.A N ASN 354.A O no hydrogen 3.281 N/A ASN 359.A N LEU 355.A O no hydrogen 3.111 N/A ASN 359.A ND2 LEU 355.A O no hydrogen 3.018 N/A ALA 360.A N PHE 357.A O no hydrogen 2.849 N/A THR 361.A OG1 PRO 362.A O no hydrogen 3.456 N/A THR 361.A OG1 THR 365.A OG1 no hydrogen 2.474 N/A LEU 363.A N GLU 356.A OE2 no hydrogen 2.739 N/A THR 365.A N PRO 362.A O no hydrogen 2.914 N/A THR 365.A OG1 THR 361.A OG1 no hydrogen 2.474 N/A THR 365.A OG1 PRO 362.A O no hydrogen 2.562 N/A SER 367.A N VAL 583.A O no hydrogen 2.970 N/A LEU 368.A N VAL 225.A O no hydrogen 3.054 N/A HIS 370.A N SER 367.A OG no hydrogen 3.135 N/A TRP 371.A N SER 367.A O no hydrogen 2.971 N/A GLN 373.A N HIS 370.A O no hydrogen 2.994 N/A GLN 373.A NE2 ARG 624.A O no hydrogen 3.335 N/A ASP 374.A N ASP 374.A OD1 no hydrogen 2.793 N/A ASP 375.A N ASP 372.A O no hydrogen 3.028 N/A PHE 377.A N ASP 374.A O no hydrogen 3.429 N/A GLU 378.A N ASP 375.A O no hydrogen 3.144 N/A LEU 384.A N VAL 161.A O no hydrogen 3.282 N/A THR 385.A N ALA 173.A O no hydrogen 2.768 N/A VAL 386.A N MET 159.A O no hydrogen 3.345 N/A ARG 387.A N GLU 171.A O no hydrogen 2.994 N/A TYR 390.A N ASP 155.A OD1 no hydrogen 2.890 N/A TYR 390.A N ASP 155.A OD2 no hydrogen 3.353 N/A SER 391.A N THR 146.A OG1 no hydrogen 2.995 N/A CYS 392.A N GLY 389.A O no hydrogen 3.375 N/A CYS 392.A SG GLY 389.A O no hydrogen 3.220 N/A CYS 392.A SG TYR 390.A O no hydrogen 3.875 N/A VAL 393.A N TYR 390.A O no hydrogen 3.033 N/A VAL 395.A N SER 391.A O no hydrogen 3.158 N/A ALA 396.A N CYS 392.A O no hydrogen 2.974 N/A LEU 397.A N VAL 393.A O no hydrogen 2.947 N/A ALA 398.A N PRO 394.A O no hydrogen 2.810 N/A ALA 398.A N VAL 395.A O no hydrogen 3.134 N/A LEU 401.A N ALA 398.A O no hydrogen 3.156 N/A LYS 404.A N LEU 133.A O no hydrogen 2.861 N/A LYS 404.A NZ ASP 402.A OD2 no hydrogen 2.908 N/A ASN 406.A N ARG 137.A O no hydrogen 2.971 N/A THR 407.A N GLU 135.A O no hydrogen 2.960 N/A THR 407.A OG1 LYS 404.A O no hydrogen 2.945 N/A THR 407.A OG1 LEU 405.A O no hydrogen 2.577 N/A ALA 408.A N VAL 424.A O no hydrogen 2.880 N/A ARG 410.A N ILE 422.A O no hydrogen 2.800 N/A GLN 411.A N ILE 422.A O no hydrogen 2.961 N/A VAL 412.A N GLN 457.A O no hydrogen 2.805 N/A ARG 413.A N GLU 420.A O no hydrogen 2.759 N/A ARG 413.A NE GLN 411.A OE1 no hydrogen 2.731 N/A TYR 414.A N VAL 459.A O no hydrogen 2.980 N/A TYR 414.A OH PRO 460.A O no hydrogen 2.604 N/A THR 415.A N GLY 418.A O no hydrogen 2.664 N/A THR 415.A OG1 SER 417.A OG no hydrogen 3.405 N/A THR 415.A OG1 GLY 418.A O no hydrogen 2.896 N/A SER 417.A OG THR 415.A OG1 no hydrogen 3.405 N/A GLY 418.A N THR 415.A O no hydrogen 2.905 N/A CYS 419.A N CYS 437.A O no hydrogen 2.809 N/A CYS 419.A SG ASP 438.A O no hydrogen 3.979 N/A CYS 419.A SG ARG 614.A O no hydrogen 4.029 N/A GLU 420.A N ARG 413.A O no hydrogen 2.675 N/A VAL 421.A N TYR 435.A O no hydrogen 2.783 N/A ILE 422.A N GLN 411.A O no hydrogen 2.671 N/A ALA 423.A N PHE 433.A O no hydrogen 2.988 N/A VAL 424.A N ALA 408.A O no hydrogen 2.945 N/A ASN 425.A N GLN 431.A O no hydrogen 3.235 N/A THR 426.A N ASN 406.A O no hydrogen 3.023 N/A THR 426.A OG1 ASN 406.A OD1 no hydrogen 3.514 N/A ARG 427.A N ASN 425.A OD1 no hydrogen 3.155 N/A ARG 427.A NE ASN 425.A OD1 no hydrogen 2.858 N/A SER 428.A N ASN 425.A OD1 no hydrogen 3.412 N/A GLN 431.A N SER 428.A O no hydrogen 3.010 N/A THR 432.A OG1 SER 430.A O no hydrogen 3.354 N/A PHE 433.A N ALA 423.A O no hydrogen 2.882 N/A TYR 435.A N VAL 421.A O no hydrogen 2.886 N/A LYS 436.A NZ GLU 420.A OE2 no hydrogen 2.941 N/A CYS 437.A N CYS 419.A O no hydrogen 2.924 N/A CYS 437.A SG CYS 419.A O no hydrogen 3.896 N/A CYS 437.A SG ALA 439.A O no hydrogen 3.540 N/A ASP 438.A N LYS 107.A O no hydrogen 2.838 N/A VAL 440.A N ARG 614.A O no hydrogen 2.939 N/A LEU 441.A N ILE 109.A O no hydrogen 2.947 N/A CYS 442.A N PHE 616.A O no hydrogen 2.764 N/A THR 443.A N ILE 111.A O no hydrogen 3.024 N/A THR 443.A OG1 ILE 111.A O no hydrogen 2.469 N/A THR 443.A OG1 GLY 112.A O no hydrogen 3.544 N/A LEU 449.A N PRO 445.A O no hydrogen 3.017 N/A LYS 450.A N GLY 447.A O no hydrogen 3.222 N/A LYS 450.A NZ VAL 470.A O no hydrogen 2.951 N/A LYS 450.A NZ GLN 471.A O no hydrogen 3.004 N/A GLN 451.A N VAL 448.A O no hydrogen 3.250 N/A GLN 457.A N ARG 410.A O no hydrogen 3.001 N/A VAL 459.A N VAL 412.A O no hydrogen 2.708 N/A LYS 466.A N PRO 463.A O no hydrogen 3.027 N/A LYS 466.A NZ LEU 594.A O no hydrogen 3.260 N/A LYS 466.A NZ MET 595.A O no hydrogen 2.949 N/A LYS 466.A NZ GLN 597.A O no hydrogen 2.872 N/A THR 467.A N PRO 463.A O no hydrogen 3.188 N/A THR 467.A OG1 GLU 464.A O no hydrogen 3.020 N/A SER 468.A N GLU 464.A O no hydrogen 2.898 N/A SER 468.A OG GLU 464.A O no hydrogen 3.059 N/A SER 468.A OG GLU 464.A OE2 no hydrogen 3.072 N/A ALA 469.A N TRP 465.A O no hydrogen 3.354 N/A VAL 470.A N LYS 466.A O no hydrogen 2.951 N/A GLN 471.A N THR 467.A O no hydrogen 2.716 N/A ARG 472.A N SER 468.A O no hydrogen 2.816 N/A ARG 472.A NE ASP 591.A OD1 no hydrogen 3.199 N/A ARG 472.A NE ASP 591.A OD2 no hydrogen 2.895 N/A ARG 472.A NH2 ASP 591.A OD1 no hydrogen 2.837 N/A MET 473.A N ALA 469.A O no hydrogen 2.953 N/A GLY 474.A N TYR 582.A O no hydrogen 3.014 N/A GLY 476.A N TYR 580.A O no hydrogen 2.943 N/A ASN 477.A N ALA 360.A O no hydrogen 2.835 N/A ASN 477.A ND2 GLU 535.A OE2 no hydrogen 2.994 N/A LEU 478.A N ASN 477.A OD1 no hydrogen 2.877 N/A ASN 479.A N VAL 526.A O no hydrogen 3.212 N/A ASN 479.A ND2 ALA 531.A O no hydrogen 3.292 N/A ASN 479.A ND2 GLU 535.A OE2 no hydrogen 2.735 N/A LYS 480.A N SER 568.A OG no hydrogen 2.644 N/A LYS 480.A NZ ASP 155.A O no hydrogen 3.076 N/A LYS 480.A NZ GLY 157.A O no hydrogen 2.890 N/A VAL 481.A N ALA 524.A O no hydrogen 2.804 N/A VAL 482.A N VAL 566.A O no hydrogen 2.718 N/A LEU 483.A N LEU 522.A O no hydrogen 2.965 N/A CYS 484.A N GLU 564.A O no hydrogen 3.145 N/A PHE 485.A N PRO 520.A O no hydrogen 3.056 N/A PHE 489.A N ARG 487.A O no hydrogen 2.945 N/A SER 493.A N ASP 491.A OD1 no hydrogen 2.738 N/A SER 493.A OG ASP 491.A OD1 no hydrogen 2.490 N/A SER 493.A OG ASP 491.A OD2 no hydrogen 3.316 N/A VAL 494.A N ASP 491.A O no hydrogen 3.114 N/A PHE 497.A N PHE 513.A O no hydrogen 3.153 N/A GLY 498.A N PRO 180.A O no hydrogen 2.858 N/A HIS 499.A N PHE 511.A O no hydrogen 3.167 N/A VAL 500.A N TYR 182.A O no hydrogen 3.438 N/A THR 503.A OG1 SER 506.A OG no hydrogen 2.658 N/A THR 504.A OG1 ASP 349.A OD2 no hydrogen 2.610 N/A SER 506.A OG THR 503.A O no hydrogen 3.186 N/A SER 506.A OG THR 503.A OG1 no hydrogen 2.658 N/A ARG 507.A N THR 504.A O no hydrogen 3.002 N/A ARG 507.A NE GLU 356.A OE1 no hydrogen 3.153 N/A ARG 507.A NH1 ASP 349.A OD1 no hydrogen 3.456 N/A ARG 507.A NH2 GLU 356.A OE2 no hydrogen 3.091 N/A GLU 509.A N SER 506.A O no hydrogen 3.047 N/A PHE 513.A N PHE 497.A O no hydrogen 2.904 N/A TRP 514.A N LEU 523.A O no hydrogen 2.725 N/A ASN 515.A N ASN 495.A O no hydrogen 2.662 N/A ASN 515.A ND2 VAL 494.A O no hydrogen 3.061 N/A TYR 517.A OH ASP 155.A OD2 no hydrogen 3.298 N/A ILE 521.A N ALA 519.A O no hydrogen 2.854 N/A LEU 522.A N LEU 483.A O no hydrogen 2.835 N/A LEU 523.A N TRP 514.A O no hydrogen 2.662 N/A ALA 524.A N VAL 481.A O no hydrogen 2.970 N/A LEU 525.A N LEU 512.A O no hydrogen 3.015 N/A VAL 526.A N ASN 479.A O no hydrogen 2.915 N/A ALA 527.A N GLY 508.A O no hydrogen 3.122 N/A ALA 531.A N ALA 527.A O no hydrogen 3.316 N/A ALA 531.A N GLY 528.A O no hydrogen 3.177 N/A ILE 533.A N GLU 529.A O no hydrogen 3.447 N/A MET 534.A N ALA 530.A O no hydrogen 2.948 N/A ASN 536.A N ILE 533.A O no hydrogen 2.840 N/A ILE 537.A N MET 534.A O no hydrogen 3.068 N/A VAL 541.A N SER 538.A OG no hydrogen 3.281 N/A ILE 542.A N SER 538.A O no hydrogen 3.363 N/A VAL 543.A N ASP 539.A O no hydrogen 3.022 N/A GLY 544.A N ASP 540.A O no hydrogen 2.757 N/A ARG 545.A N VAL 541.A O no hydrogen 2.924 N/A ARG 545.A NH1 GLU 509.A OE2 no hydrogen 2.971 N/A CYS 546.A N ILE 542.A O no hydrogen 3.052 N/A CYS 546.A SG ILE 542.A O no hydrogen 3.497 N/A LEU 547.A N VAL 543.A O no hydrogen 3.064 N/A LEU 547.A N GLY 544.A O no hydrogen 2.632 N/A ALA 548.A N GLY 544.A O no hydrogen 3.017 N/A ILE 549.A N ARG 545.A O no hydrogen 3.033 N/A LEU 550.A N CYS 546.A O no hydrogen 2.976 N/A LYS 551.A N LEU 547.A O no hydrogen 2.693 N/A LYS 551.A N ALA 548.A O no hydrogen 3.024 N/A GLY 552.A N ALA 548.A O no hydrogen 3.137 N/A ILE 553.A N ILE 549.A O no hydrogen 3.292 N/A PHE 554.A N LYS 551.A O no hydrogen 3.251 N/A GLY 555.A N LYS 551.A O no hydrogen 2.777 N/A SER 557.A N GLY 555.A O no hydrogen 2.659 N/A ALA 558.A N GLY 555.A O no hydrogen 3.037 N/A LYS 563.A N CYS 484.A O no hydrogen 2.881 N/A LYS 563.A NZ ASP 486.A OD2 no hydrogen 2.978 N/A VAL 566.A N VAL 482.A O no hydrogen 3.315 N/A SER 568.A N LYS 480.A O no hydrogen 2.947 N/A SER 568.A OG ASN 479.A OD1 no hydrogen 2.409 N/A ARG 569.A NE GLU 535.A O no hydrogen 2.633 N/A ARG 569.A NH1 ASP 539.A OD1 no hydrogen 2.855 N/A ARG 569.A NH2 ASP 539.A OD1 no hydrogen 3.428 N/A TRP 570.A N ASN 479.A OD1 no hydrogen 3.066 N/A TRP 570.A NE1 LEU 156.A O no hydrogen 2.883 N/A ARG 571.A N GLU 535.A OE2 no hydrogen 2.772 N/A ARG 571.A NH1 PHE 475.A O no hydrogen 3.013 N/A ARG 571.A NH1 ARG 577.A O no hydrogen 3.003 N/A ARG 571.A NH2 PHE 475.A O no hydrogen 2.911 N/A ALA 572.A N ARG 569.A O no hydrogen 3.075 N/A ASP 573.A N ARG 569.A O no hydrogen 2.858 N/A TRP 575.A N ASP 573.A OD1 no hydrogen 3.115 N/A ALA 576.A N ASP 573.A O no hydrogen 3.270 N/A ARG 577.A N ASP 573.A O no hydrogen 2.693 N/A ARG 577.A NH1 ARG 571.A O no hydrogen 3.560 N/A ARG 577.A NH1 ALA 572.A O no hydrogen 3.388 N/A SER 579.A N GLY 476.A O no hydrogen 2.889 N/A TYR 580.A OH ALA 358.A O no hydrogen 2.607 N/A SER 581.A N GLU 620.A OE2 no hydrogen 3.081 N/A SER 581.A OG TYR 592.A OH no hydrogen 2.837 N/A SER 581.A OG GLU 620.A OE2 no hydrogen 2.045 N/A TYR 582.A N GLY 474.A O no hydrogen 2.951 N/A ALA 585.A N THR 365.A O no hydrogen 2.787 N/A SER 587.A N ALA 584.A O no hydrogen 3.064 N/A SER 587.A OG SER 588.A O no hydrogen 3.295 N/A SER 587.A OG ASP 591.A OD2 no hydrogen 2.813 N/A ASN 590.A N SER 588.A OG no hydrogen 3.120 N/A TYR 592.A OH SER 581.A OG no hydrogen 2.837 N/A ASP 593.A N ASN 590.A O no hydrogen 2.762 N/A LEU 594.A N ASN 590.A O no hydrogen 3.135 N/A MET 595.A N ASP 591.A O no hydrogen 2.667 N/A ALA 596.A N ASP 593.A O no hydrogen 2.923 N/A GLN 597.A N ASP 593.A O no hydrogen 3.061 N/A GLN 597.A N LEU 594.A O no hydrogen 3.074 N/A ILE 599.A N LEU 615.A O no hydrogen 2.721 N/A ARG 614.A N ILE 599.A O no hydrogen 3.226 N/A ARG 614.A NH1 ASP 438.A O no hydrogen 2.870 N/A ARG 614.A NH2 ALA 416.A O no hydrogen 2.452 N/A LEU 615.A N ILE 599.A O no hydrogen 3.354 N/A PHE 616.A N VAL 440.A O no hydrogen 2.817 N/A ALA 618.A N CYS 442.A O no hydrogen 3.104 N/A GLY 619.A N SER 636.A OG no hydrogen 2.782 N/A THR 622.A N GLY 619.A O no hydrogen 2.745 N/A THR 622.A OG1 GLY 619.A O no hydrogen 2.451 N/A ARG 624.A NH1 ASP 593.A OD2 no hydrogen 3.280 N/A TYR 626.A N ILE 623.A O no hydrogen 3.245 N/A THR 629.A OG1 TYR 626.A O no hydrogen 3.091 N/A GLY 632.A N THR 629.A OG1 no hydrogen 2.633 N/A ALA 633.A N THR 629.A O no hydrogen 3.405 N/A LEU 634.A N VAL 630.A O no hydrogen 2.885 N/A LEU 635.A N HIS 631.A O no hydrogen 2.706 N/A SER 636.A N GLY 632.A O no hydrogen 2.946 N/A SER 636.A OG ALA 633.A O no hydrogen 2.546 N/A GLY 637.A N ALA 633.A O no hydrogen 2.908 N/A LEU 638.A N LEU 634.A O no hydrogen 3.168 N/A ARG 639.A N LEU 635.A O no hydrogen 2.864 N/A ARG 639.A NE GLU 640.A OE2 no hydrogen 2.754 N/A ARG 639.A NH1 THR 622.A O no hydrogen 2.990 N/A ARG 639.A NH2 PHE 617.A O no hydrogen 3.325 N/A ARG 639.A NH2 THR 622.A O no hydrogen 3.364 N/A ARG 639.A NH2 THR 622.A OG1 no hydrogen 2.863 N/A ARG 639.A NH2 GLU 640.A OE2 no hydrogen 3.297 N/A GLU 640.A N SER 636.A O no hydrogen 3.020 N/A ALA 641.A N GLY 637.A O no hydrogen 2.954 N/A GLY 642.A N LEU 638.A O no hydrogen 3.054 N/A ARG 643.A N ARG 639.A O no hydrogen 2.988 N/A ARG 643.A NE GLU 640.A OE1 no hydrogen 2.930 N/A ARG 643.A NH2 GLU 640.A OE1 no hydrogen 3.293 N/A ARG 643.A NH2 GLU 640.A OE2 no hydrogen 2.501 N/A ILE 644.A N GLU 640.A O no hydrogen 2.828 N/A ALA 645.A N ALA 641.A O no hydrogen 2.968 N/A ASP 646.A N GLY 642.A O no hydrogen 2.788 N/A GLN 647.A N ILE 644.A O no hydrogen 2.922 N/A PHE 648.A N ILE 644.A O no hydrogen 2.911 N/A LEU 649.A N ALA 645.A O no hydrogen 2.864 N/A