Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4neh_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A SG THR 4.A O no hydrogen 3.548 N/A THR 4.A OG1 SER 17.A O no hydrogen 3.085 N/A SER 9.A OG GLU 13.A OE1 no hydrogen 2.307 N/A ARG 12.A N SER 10.A OG no hydrogen 3.194 N/A ARG 12.A NE GLU 16.A OE2 no hydrogen 3.315 N/A CYS 14.A N CYS 11.A O no hydrogen 2.974 N/A CYS 14.A SG THR 22.A O no hydrogen 3.310 N/A ILE 15.A N CYS 11.A O no hydrogen 2.895 N/A GLU 16.A N ARG 12.A O no hydrogen 2.881 N/A SER 17.A N CYS 14.A O no hydrogen 3.211 N/A SER 17.A OG LYS 7.A O no hydrogen 3.537 N/A SER 17.A OG GLU 13.A O no hydrogen 2.652 N/A CYS 21.A N GLY 18.A O no hydrogen 3.285 N/A CYS 21.A SG THR 4.A O no hydrogen 3.387 N/A THR 22.A N ASP 41.A O no hydrogen 3.014 N/A THR 22.A OG1 ASP 41.A O no hydrogen 2.644 N/A TRP 23.A N MET 57.A O no hydrogen 3.188 N/A TRP 23.A NE1 CYS 437.A O no hydrogen 3.027 N/A CYS 24.A N ARG 39.A O no hydrogen 3.240 N/A ARG 39.A N ASP 36.A O no hydrogen 3.374 N/A ARG 39.A NE ASP 36.A OD1 no hydrogen 2.805 N/A ARG 39.A NH1 CYS 24.A O no hydrogen 3.513 N/A ARG 39.A NH1 LYS 26.A O no hydrogen 2.899 N/A CYS 40.A N SER 37.A O no hydrogen 3.470 N/A CYS 40.A SG THR 22.A O no hydrogen 4.032 N/A ASP 41.A N THR 22.A O no hydrogen 3.315 N/A GLN 45.A NE2 ASP 41.A OD2 no hydrogen 2.227 N/A LEU 46.A N ARG 43.A O no hydrogen 3.256 N/A LEU 47.A N ARG 43.A O no hydrogen 3.382 N/A ARG 49.A N LEU 46.A O no hydrogen 3.162 N/A GLY 50.A N LEU 47.A O no hydrogen 3.108 N/A CYS 51.A N LEU 46.A O no hydrogen 3.335 N/A CYS 51.A SG ASP 55.A OD1 no hydrogen 3.830 N/A MET 57.A N TRP 23.A O no hydrogen 2.842 N/A THR 60.A OG1 SER 61.A O no hydrogen 3.567 N/A SER 61.A OG GLN 85.A O no hydrogen 2.889 N/A LEU 62.A N TYR 80.A O no hydrogen 2.863 N/A GLU 64.A N THR 78.A O no hydrogen 2.940 N/A GLN 66.A N LYS 76.A O no hydrogen 3.311 N/A SER 73.A N THR 92.A O no hydrogen 3.172 N/A VAL 77.A N THR 412.A O no hydrogen 2.906 N/A THR 78.A N GLU 64.A O no hydrogen 2.977 N/A THR 78.A OG1 GLU 64.A OE1 no hydrogen 3.150 N/A LEU 79.A N GLN 414.A O no hydrogen 2.639 N/A TYR 80.A N LEU 62.A O no hydrogen 2.683 N/A LEU 81.A N LEU 416.A O no hydrogen 2.886 N/A ARG 82.A N SER 61.A OG no hydrogen 3.125 N/A ARG 82.A NH1 ASP 58.A OD1 no hydrogen 2.730 N/A ARG 82.A NH1 PRO 59.A O no hydrogen 2.868 N/A ARG 82.A NH2 ILE 15.A O no hydrogen 3.534 N/A ARG 82.A NH2 GLY 18.A O no hydrogen 2.702 N/A ARG 82.A NH2 CYS 21.A O no hydrogen 2.611 N/A GLY 84.A N ALA 391.A O no hydrogen 2.914 N/A GLN 85.A N ARG 82.A O no hydrogen 3.020 N/A ALA 87.A N VAL 389.A O no hydrogen 3.006 N/A PHE 89.A N VAL 387.A O no hydrogen 3.100 N/A VAL 91.A N PHE 385.A O no hydrogen 2.751 N/A THR 92.A N SER 73.A O no hydrogen 2.595 N/A PHE 93.A N ILE 383.A O no hydrogen 2.794 N/A ARG 94.A N GLN 71.A O no hydrogen 3.187 N/A ARG 95.A NH1 VAL 377.A O no hydrogen 2.923 N/A TYR 99.A OH GLN 71.A OE1 no hydrogen 2.932 N/A ILE 101.A N SER 137.A O no hydrogen 3.404 N/A ASP 102.A N THR 230.A O no hydrogen 2.868 N/A LEU 103.A N ARG 139.A O no hydrogen 3.006 N/A TYR 104.A N LEU 232.A O no hydrogen 2.843 N/A TYR 104.A OH HIS 180.A ND1 no hydrogen 2.636 N/A TYR 105.A N GLY 141.A O no hydrogen 3.010 N/A LEU 106.A N VAL 234.A O no hydrogen 2.733 N/A MET 107.A N GLY 143.A O no hydrogen 2.856 N/A LEU 109.A N PHE 145.A O no hydrogen 3.044 N/A SER 110.A N ASP 108.A OD1 no hydrogen 2.746 N/A SER 110.A OG ASP 108.A OD1 no hydrogen 2.429 N/A SER 110.A OG SER 112.A OG no hydrogen 3.024 N/A SER 110.A OG GLU 208.A OE1 no hydrogen 2.937 N/A SER 112.A OG SER 110.A OG no hydrogen 3.024 N/A SER 112.A OG ASP 238.A OD1 no hydrogen 3.097 N/A SER 112.A OG ASP 238.A OD2 no hydrogen 2.783 N/A MET 113.A N SER 110.A O no hydrogen 2.880 N/A LEU 117.A N LEU 114.A O no hydrogen 3.221 N/A ASN 119.A ND2 ASP 322.A O no hydrogen 3.086 N/A LYS 122.A NZ ASP 126.A OD2 no hydrogen 2.415 N/A LEU 123.A N ASN 119.A O no hydrogen 2.773 N/A GLY 124.A N VAL 120.A O no hydrogen 3.152 N/A ASP 126.A N LYS 122.A O no hydrogen 2.895 N/A LEU 127.A N LEU 123.A O no hydrogen 3.061 N/A LEU 128.A N GLY 124.A O no hydrogen 3.303 N/A ARG 129.A N GLY 125.A O no hydrogen 2.876 N/A ARG 129.A NH1 GLU 133.A OE2 no hydrogen 3.416 N/A ALA 130.A N ASP 126.A O no hydrogen 2.842 N/A LEU 131.A N LEU 127.A O no hydrogen 3.206 N/A ASN 132.A N LEU 128.A O no hydrogen 3.046 N/A ASN 132.A ND2 LEU 128.A O no hydrogen 2.299 N/A GLU 133.A N ARG 129.A O no hydrogen 3.110 N/A ILE 134.A N LEU 131.A O no hydrogen 3.351 N/A THR 135.A OG1 LEU 131.A O no hydrogen 3.523 N/A ARG 139.A N ILE 101.A O no hydrogen 3.120 N/A ARG 139.A NH2 GLY 138.A O no hydrogen 3.515 N/A ILE 140.A N THR 185.A O no hydrogen 2.937 N/A GLY 141.A N LEU 103.A O no hydrogen 3.171 N/A PHE 142.A N LEU 182.A O no hydrogen 3.300 N/A GLY 143.A N TYR 105.A O no hydrogen 3.177 N/A SER 144.A N ARG 179.A O no hydrogen 2.798 N/A PHE 145.A N MET 107.A O no hydrogen 3.085 N/A VAL 146.A N ALA 177.A O no hydrogen 3.263 N/A ASP 147.A N PHE 176.A O no hydrogen 3.313 N/A LYS 148.A N ASP 147.A OD1 no hydrogen 2.610 N/A LYS 148.A NZ ASP 212.A OD2 no hydrogen 2.547 N/A LYS 148.A NZ SER 270.A O no hydrogen 2.677 N/A LYS 148.A NZ PHE 273.A O no hydrogen 2.834 N/A THR 149.A N ASN 271.A OD1 no hydrogen 3.259 N/A THR 149.A OG1 ASN 271.A OD1 no hydrogen 3.186 N/A VAL 154.A N VAL 150.A O no hydrogen 2.855 N/A HIS 157.A N ASN 155.A OD1 no hydrogen 3.265 N/A ASP 159.A N HIS 157.A ND1 no hydrogen 3.048 N/A LEU 161.A N HIS 157.A O no hydrogen 2.819 N/A ASN 163.A N ASP 159.A O no hydrogen 3.209 N/A CYS 172.A SG ASN 163.A OD1 no hydrogen 3.630 N/A CYS 172.A SG ILE 200.A O no hydrogen 3.555 N/A GLN 173.A N ILE 200.A O no hydrogen 2.810 N/A GLN 173.A NE2 LEU 199.A O no hydrogen 3.396 N/A ARG 179.A N SER 144.A O no hydrogen 2.703 N/A HIS 180.A N ASN 265.A O no hydrogen 2.940 N/A HIS 180.A ND1 TYR 104.A OH no hydrogen 2.636 N/A HIS 180.A NE2 GLU 223.A O no hydrogen 2.892 N/A VAL 181.A N PHE 142.A O no hydrogen 3.256 N/A LEU 182.A N PHE 142.A O no hydrogen 3.072 N/A LEU 184.A N ILE 224.A O no hydrogen 2.890 N/A THR 185.A N ILE 140.A O no hydrogen 2.656 N/A ASN 187.A N THR 185.A OG1 no hydrogen 2.943 N/A GLN 190.A N ASN 187.A OD1 no hydrogen 3.001 N/A GLN 192.A N SER 188.A O no hydrogen 3.127 N/A THR 193.A N ASN 189.A O no hydrogen 3.108 N/A THR 193.A OG1 ASN 189.A O no hydrogen 2.917 N/A THR 193.A OG1 GLN 190.A O no hydrogen 3.225 N/A GLU 194.A N GLN 190.A O no hydrogen 3.132 N/A VAL 195.A N PHE 191.A O no hydrogen 2.956 N/A GLY 196.A N GLN 192.A O no hydrogen 3.179 N/A LYS 197.A NZ GLU 194.A OE2 no hydrogen 3.510 N/A GLN 198.A N VAL 195.A O no hydrogen 3.184 N/A GLN 198.A NE2 GLU 194.A O no hydrogen 3.497 N/A SER 201.A N LEU 109.A O no hydrogen 2.762 N/A SER 201.A OG GLN 173.A O no hydrogen 2.819 N/A GLY 202.A N SER 201.A OG no hydrogen 2.645 N/A ASN 203.A ND2 GLU 208.A OE1 no hydrogen 3.320 N/A ASN 203.A ND2 GLU 208.A OE2 no hydrogen 3.247 N/A LEU 204.A N PHE 153.A O no hydrogen 2.935 N/A GLU 208.A N GLY 240.A O no hydrogen 3.057 N/A GLY 209.A N VAL 146.A O no hydrogen 3.010 N/A ALA 213.A N GLY 209.A O no hydrogen 3.419 N/A MET 214.A N GLY 210.A O no hydrogen 2.902 N/A MET 215.A N LEU 211.A O no hydrogen 2.939 N/A GLN 216.A N ASP 212.A O no hydrogen 3.138 N/A GLN 216.A NE2 ARG 259.A O no hydrogen 3.446 N/A VAL 217.A N ALA 213.A O no hydrogen 3.009 N/A ALA 218.A N MET 214.A O no hydrogen 3.075 N/A ALA 219.A N GLN 216.A O no hydrogen 3.297 N/A CYS 220.A SG GLN 216.A O no hydrogen 3.222 N/A CYS 220.A SG GLN 216.A OE1 no hydrogen 3.987 N/A GLU 223.A N GLU 223.A OE1 no hydrogen 2.566 N/A ILE 224.A N CYS 220.A O no hydrogen 3.123 N/A GLY 225.A N PRO 221.A O no hydrogen 3.065 N/A TRP 226.A N PRO 221.A O no hydrogen 3.329 N/A ARG 227.A N ASP 102.A OD2 no hydrogen 2.733 N/A ARG 227.A NE ASP 102.A OD2 no hydrogen 3.409 N/A ARG 227.A NH2 SER 137.A O no hydrogen 3.289 N/A THR 230.A N PRO 100.A O no hydrogen 3.156 N/A ARG 231.A NE ARG 227.A O no hydrogen 2.904 N/A LEU 232.A N ASP 102.A O no hydrogen 2.738 N/A LEU 233.A N GLN 291.A O no hydrogen 3.148 N/A VAL 234.A N TYR 104.A O no hydrogen 2.747 N/A PHE 235.A N ILE 293.A O no hydrogen 2.687 N/A ALA 236.A N LEU 106.A O no hydrogen 3.268 N/A THR 237.A N ALA 295.A O no hydrogen 3.269 N/A THR 237.A OG1 ASP 108.A OD2 no hydrogen 2.763 N/A ASP 239.A N THR 237.A OG1 no hydrogen 3.390 N/A GLY 240.A N ASP 239.A OD1 no hydrogen 2.688 N/A HIS 242.A N GLU 208.A O no hydrogen 2.943 N/A HIS 242.A ND1 ASP 246.A OD2 no hydrogen 2.967 N/A HIS 242.A NE2 ASP 205.A OD2 no hydrogen 2.560 N/A PHE 243.A N ASP 246.A OD2 no hydrogen 3.129 N/A ALA 244.A N PRO 276.A O no hydrogen 3.034 N/A GLY 245.A N ASP 274.A OD2 no hydrogen 2.842 N/A ASP 246.A N PHE 243.A O no hydrogen 3.217 N/A GLY 247.A N ASP 274.A OD1 no hydrogen 3.061 N/A LYS 248.A N GLY 245.A O no hydrogen 3.371 N/A LEU 249.A N ASP 246.A O no hydrogen 3.150 N/A GLY 250.A N GLY 247.A O no hydrogen 2.849 N/A ALA 251.A N LYS 248.A O no hydrogen 3.069 N/A ILE 252.A N GLY 247.A O no hydrogen 2.898 N/A GLY 258.A N ASN 256.A OD1 no hydrogen 2.779 N/A ARG 259.A N ASP 257.A OD1 no hydrogen 3.365 N/A HIS 261.A N GLN 216.A OE1 no hydrogen 2.984 N/A HIS 261.A NE2 ASP 257.A OD1 no hydrogen 2.858 N/A HIS 261.A NE2 ASP 257.A OD2 no hydrogen 2.832 N/A GLU 263.A N LEU 266.A O no hydrogen 2.874 N/A TYR 267.A N PHE 178.A O no hydrogen 3.020 N/A ARG 269.A NE GLU 272.A OE2 no hydrogen 2.950 N/A ARG 269.A NH1 GLU 272.A OE2 no hydrogen 3.239 N/A SER 270.A OG TYR 267.A O no hydrogen 3.355 N/A SER 270.A OG ASN 271.A OD1 no hydrogen 3.324 N/A ASN 271.A ND2 THR 149.A OG1 no hydrogen 2.886 N/A GLU 272.A N ARG 269.A O no hydrogen 2.888 N/A ASP 274.A N THR 254.A O no hydrogen 2.743 N/A TYR 275.A N ASP 274.A OD1 no hydrogen 2.572 N/A TYR 275.A OH ASP 147.A OD1 no hydrogen 2.615 N/A SER 277.A N GLN 280.A OE1 no hydrogen 3.124 N/A GLN 280.A N SER 277.A OG no hydrogen 3.241 N/A GLN 280.A NE2 ASN 256.A O no hydrogen 2.327 N/A LEU 281.A N SER 277.A O no hydrogen 2.934 N/A ALA 282.A N VAL 278.A O no hydrogen 2.897 N/A HIS 283.A N GLY 279.A O no hydrogen 3.106 N/A LYS 284.A N GLN 280.A O no hydrogen 3.403 N/A LYS 284.A NZ ALA 218.A O no hydrogen 3.563 N/A LEU 285.A N LEU 281.A O no hydrogen 3.033 N/A ALA 286.A N ALA 282.A O no hydrogen 3.149 N/A GLU 287.A N HIS 283.A O no hydrogen 2.891 N/A ASN 288.A N LYS 284.A O no hydrogen 3.316 N/A ASN 288.A ND2 ALA 218.A O no hydrogen 2.211 N/A ASN 289.A N ALA 286.A O no hydrogen 3.248 N/A ASN 289.A ND2.A GLY 406.A O no hydrogen 3.139 N/A ILE 290.A N LEU 285.A O no hydrogen 2.801 N/A GLN 291.A N ARG 231.A O no hydrogen 3.026 N/A ILE 293.A N LEU 233.A O no hydrogen 2.528 N/A PHE 294.A N ALA 315.A O no hydrogen 2.755 N/A ALA 295.A N PHE 235.A O no hydrogen 2.641 N/A VAL 296.A N GLY 317.A O no hydrogen 3.166 N/A THR 297.A N THR 237.A O no hydrogen 3.427 N/A THR 297.A OG1 ASP 238.A O no hydrogen 3.423 N/A ARG 299.A NH2 ASP 239.A OD2 no hydrogen 3.030 N/A MET 300.A N THR 297.A O no hydrogen 2.808 N/A VAL 301.A N SER 298.A O no hydrogen 3.366 N/A TYR 304.A N MET 300.A O no hydrogen 3.242 N/A TYR 304.A OH ASP 239.A O no hydrogen 2.862 N/A GLU 305.A N VAL 301.A O no hydrogen 2.986 N/A LYS 306.A N THR 303.A O no hydrogen 2.993 N/A LEU 307.A N TYR 304.A O no hydrogen 3.124 N/A THR 308.A N GLU 305.A O no hydrogen 3.315 N/A THR 308.A OG1 GLU 305.A O no hydrogen 2.853 N/A THR 308.A OG1 GLU 305.A OE2 no hydrogen 3.480 N/A ILE 310.A N LEU 307.A O no hydrogen 2.893 N/A ILE 311.A N LEU 307.A O no hydrogen 2.716 N/A LYS 313.A NZ LEU 337.A O no hydrogen 2.796 N/A LYS 313.A NZ ARG 340.A O no hydrogen 2.947 N/A SER 314.A OG ILE 311.A O no hydrogen 2.705 N/A ALA 315.A N PRO 292.A O no hydrogen 3.259 N/A GLY 317.A N PHE 294.A O no hydrogen 2.907 N/A LEU 319.A N VAL 296.A O no hydrogen 2.607 N/A SER 320.A N ASN 325.A OD1 no hydrogen 2.692 N/A SER 323.A N SER 320.A O no hydrogen 2.841 N/A SER 324.A N ASP 322.A OD1 no hydrogen 3.163 N/A SER 324.A OG ASP 322.A OD1 no hydrogen 2.682 N/A SER 324.A OG ASP 322.A OD2 no hydrogen 3.491 N/A ASN 325.A ND2 GLU 318.A O no hydrogen 3.002 N/A LEU 329.A N ASN 325.A O no hydrogen 3.060 N/A ILE 330.A N VAL 326.A O no hydrogen 2.985 N/A LYS 331.A N VAL 327.A O no hydrogen 3.098 N/A LYS 331.A NZ GLU 133.A OE1 no hydrogen 2.866 N/A ASN 332.A N GLN 328.A O no hydrogen 3.230 N/A ALA 333.A N LEU 329.A O no hydrogen 2.799 N/A TYR 334.A N ILE 330.A O no hydrogen 2.729 N/A ASN 335.A N LYS 331.A O no hydrogen 2.975 N/A LYS 336.A N ASN 332.A O no hydrogen 2.897 N/A LEU 337.A N ALA 333.A O no hydrogen 3.069 N/A SER 338.A N TYR 334.A O no hydrogen 3.003 N/A SER 338.A OG TYR 334.A O no hydrogen 2.981 N/A SER 339.A N ASN 335.A O no hydrogen 2.790 N/A SER 339.A OG ASN 335.A O no hydrogen 2.850 N/A SER 339.A OG LYS 336.A O no hydrogen 3.129 N/A ARG 340.A NE ASP 373.A OD1 no hydrogen 3.144 N/A ARG 340.A NH2 ASP 373.A OD1 no hydrogen 3.390 N/A ARG 340.A NH2 ASP 373.A OD2 no hydrogen 2.748 N/A VAL 341.A N CYS 374.A O no hydrogen 2.848 N/A LEU 343.A N GLY 372.A O no hydrogen 2.801 N/A ASP 344.A N ARG 403.A O no hydrogen 3.116 N/A HIS 345.A ND1 TYR 356.A OH no hydrogen 2.654 N/A ASN 346.A N VAL 401.A O no hydrogen 3.365 N/A LEU 352.A N PRO 349.A O no hydrogen 3.448 N/A LYS 353.A N THR 390.A O no hydrogen 2.906 N/A THR 355.A N LYS 388.A O no hydrogen 3.029 N/A TYR 356.A N GLN 369.A O no hydrogen 2.613 N/A TYR 356.A OH HIS 345.A ND1 no hydrogen 2.654 N/A ASP 357.A N GLN 386.A O no hydrogen 2.737 N/A SER 358.A N HIS 366.A O no hydrogen 2.606 N/A SER 358.A OG ASP 373.A O no hydrogen 3.431 N/A PHE 359.A N THR 384.A O no hydrogen 3.291 N/A CYS 360.A N VAL 364.A O no hydrogen 3.383 N/A CYS 360.A SG ASP 373.A O no hydrogen 3.833 N/A HIS 366.A N SER 358.A O no hydrogen 2.883 N/A ASN 368.A N ASP 357.A OD1 no hydrogen 2.645 N/A GLN 369.A N TYR 356.A O no hydrogen 2.978 N/A GLN 369.A NE2 ARG 367.A O no hydrogen 3.348 N/A GLY 372.A N LEU 343.A O no hydrogen 2.782 N/A ASP 373.A N SER 358.A OG no hydrogen 2.952 N/A CYS 374.A N VAL 341.A O no hydrogen 3.066 N/A CYS 374.A SG ASP 373.A O no hydrogen 3.567 N/A VAL 377.A N SER 339.A O no hydrogen 2.698 N/A ASN 380.A N ARG 95.A O no hydrogen 2.902 N/A VAL 381.A N GLN 378.A O no hydrogen 3.447 N/A ILE 383.A N PHE 93.A O no hydrogen 2.918 N/A PHE 385.A N VAL 91.A O no hydrogen 2.788 N/A GLN 386.A N ASP 357.A O no hydrogen 2.781 N/A VAL 387.A N PHE 89.A O no hydrogen 2.795 N/A LYS 388.A N THR 355.A O no hydrogen 2.849 N/A VAL 389.A N ALA 87.A O no hydrogen 2.870 N/A THR 390.A N LYS 353.A O no hydrogen 2.934 N/A THR 392.A N THR 351.A O no hydrogen 3.208 N/A CYS 394.A SG GLU 16.A OE2 no hydrogen 3.507 N/A PHE 400.A N VAL 413.A O no hydrogen 3.129 N/A VAL 401.A N ASN 346.A OD1 no hydrogen 3.062 N/A ILE 402.A N VAL 411.A O no hydrogen 2.801 N/A ARG 403.A N ASP 344.A O no hydrogen 2.886 N/A ARG 403.A NE PHE 407.A O no hydrogen 3.208 N/A ARG 403.A NH2 ASN 289.A OD1.B no hydrogen 2.266 N/A LEU 405.A N PHE 342.A O no hydrogen 3.024 N/A PHE 407.A N ALA 404.A O no hydrogen 3.112 N/A VAL 411.A N ILE 402.A O no hydrogen 2.774 N/A THR 412.A N GLN 75.A O no hydrogen 3.341 N/A VAL 413.A N PHE 400.A O no hydrogen 2.905 N/A GLN 414.A N VAL 77.A O no hydrogen 2.686 N/A VAL 415.A N GLN 398.A O no hydrogen 2.843 N/A LEU 416.A N LEU 79.A O no hydrogen 2.682 N/A GLN 418.A N LEU 81.A O no hydrogen 2.722 N/A ARG 424.A N GLN 25.A OE1 no hydrogen 3.446 N/A SER 427.A OG ARG 426.A O no hydrogen 2.408 N/A CYS 429.A SG GLY 433.A O no hydrogen 3.608 N/A GLU 436.A N ILE 439.A O no hydrogen 2.714 N/A ILE 439.A N GLU 436.A O no hydrogen 3.430 N/A CYS 440.A SG LYS 449.A O no hydrogen 3.676 N/A ARG 441.A N PHE 434.A O no hydrogen 3.021 N/A ARG 441.A NH2 GLU 436.A OE1 no hydrogen 3.333 N/A CYS 442.A SG GLY 448.A O no hydrogen 3.154 N/A TYR 446.A N ASP 443.A O no hydrogen 3.226 N/A ILE 447.A N CYS 453.A O no hydrogen 3.207 N/A LYS 449.A NZ THR 30.A OG1 no hydrogen 3.159 N/A LYS 449.A NZ ASP 34.A O no hydrogen 2.634 N/A ASN 450.A N GLU 452.A OE1 no hydrogen 3.130 N/A CYS 451.A SG GLY 448.A O no hydrogen 3.815 N/A GLU 452.A N GLU 452.A OE1 no hydrogen 2.685 N/A THR 455.A N GLY 445.A O no hydrogen 3.310 N/A THR 455.A OG1 GLY 445.A O no hydrogen 3.569 N/A LEU 463.A N GLN 461.A O no hydrogen 2.543 N/A SER 466.A OG LEU 463.A O no hydrogen 3.122 N/A SER 466.A OG GLY 485.A O no hydrogen 2.566 N/A CYS 467.A N GLU 464.A O no hydrogen 3.434 N/A CYS 467.A SG LEU 463.A O no hydrogen 4.031 N/A CYS 467.A SG GLY 485.A O no hydrogen 3.187 N/A CYS 467.A SG GLN 486.A O no hydrogen 3.449 N/A ARG 468.A N GLY 465.A O no hydrogen 3.449 N/A LYS 469.A NZ ASP 470.A OD1 no hydrogen 2.742 N/A ASP 470.A N SER 473.A OG no hydrogen 3.034 N/A SER 473.A N ASP 470.A O no hydrogen 3.055 N/A SER 473.A OG ASP 470.A O no hydrogen 2.630 N/A SER 473.A OG ASP 470.A OD1 no hydrogen 3.184 N/A CYS 476.A N CYS 467.A O no hydrogen 2.759 N/A CYS 476.A SG CYS 467.A O no hydrogen 3.972 N/A SER 477.A N ILE 474.A O no hydrogen 2.807 N/A SER 477.A OG.A CYS 476.A O no hydrogen 2.441 N/A SER 477.A OG.A TYR 503.A O no hydrogen 3.116 N/A SER 477.A OG.A CYS 504.A O no hydrogen 2.637 N/A SER 477.A OG.B TYR 503.A O no hydrogen 2.577 N/A GLY 478.A N ILE 475.A O no hydrogen 3.133 N/A LEU 479.A N CYS 476.A O no hydrogen 2.988 N/A LEU 479.A N SER 477.A OG.A no hydrogen 3.365 N/A ASP 481.A N LEU 488.A O no hydrogen 2.767 N/A CYS 482.A SG GLN 486.A O no hydrogen 4.015 N/A VAL 483.A N GLN 486.A O no hydrogen 3.026 N/A CYS 484.A SG GLU 452.A OE2 no hydrogen 3.321 N/A GLN 486.A N VAL 483.A O no hydrogen 3.192 N/A CYS 487.A SG CYS 467.A O no hydrogen 3.804 N/A LEU 488.A N ASP 481.A O no hydrogen 2.817 N/A CYS 489.A SG GLY 501.A O no hydrogen 4.025 N/A HIS 490.A N LEU 479.A O no hydrogen 2.671 N/A HIS 490.A NE2 ASP 481.A OD1 no hydrogen 2.929 N/A LYS 497.A N VAL 494.A O no hydrogen 3.179 N/A LEU 498.A N THR 508.A OG1 no hydrogen 2.936 N/A TYR 500.A N CYS 506.A O no hydrogen 2.928 N/A TYR 503.A N GLU 505.A OE2 no hydrogen 3.051 N/A CYS 504.A N GLY 501.A O no hydrogen 3.259 N/A CYS 504.A SG LEU 479.A O no hydrogen 3.991 N/A GLU 505.A N GLU 505.A OE2 no hydrogen 2.368 N/A CYS 506.A N TYR 500.A O no hydrogen 3.098 N/A THR 508.A OG1 GLY 496.A O no hydrogen 2.720 N/A CYS 511.A SG ASN 510.A O no hydrogen 3.127 N/A ARG 513.A NH2 GLY 516.A O no hydrogen 3.350 N/A TYR 514.A N GLN 517.A O no hydrogen 2.913 N/A GLN 517.A N TYR 514.A O no hydrogen 2.878 N/A CYS 519.A N GLU 512.A O no hydrogen 2.810 N/A CYS 519.A SG LEU 526.A O no hydrogen 3.778 N/A GLY 521.A N VAL 518.A O no hydrogen 2.994 N/A ARG 524.A N GLY 521.A O no hydrogen 3.102 N/A GLY 525.A N GLY 521.A O no hydrogen 3.018 N/A LEU 526.A N ARG 533.A O no hydrogen 3.085 N/A PHE 528.A N LYS 531.A O no hydrogen 2.964 N/A CYS 529.A N ASP 507.A O no hydrogen 3.054 N/A LYS 531.A N PHE 528.A O no hydrogen 3.438 N/A CYS 532.A SG GLU 512.A O no hydrogen 3.950 N/A CYS 532.A SG SER 541.A O no hydrogen 3.232 N/A ARG 533.A N LEU 526.A O no hydrogen 2.861 N/A CYS 534.A SG GLY 540.A O no hydrogen 3.637 N/A HIS 535.A N ARG 524.A O no hydrogen 2.804 N/A PHE 538.A N HIS 535.A O no hydrogen 3.040 N/A GLU 539.A N CYS 545.A O no hydrogen 3.166 N/A SER 541.A OG GLU 512.A OE1 no hydrogen 2.494 N/A SER 541.A OG GLU 512.A OE2 no hydrogen 3.393 N/A ALA 542.A N GLN 544.A OE1 no hydrogen 2.658 N/A CYS 543.A SG ARG 524.A O no hydrogen 3.969 N/A GLN 544.A N GLN 544.A OE1 no hydrogen 2.628 N/A CYS 545.A N GLU 539.A O no hydrogen 2.933 N/A CYS 545.A SG GLU 546.A O no hydrogen 3.695 N/A GLU 550.A N THR 548.A OG1 no hydrogen 3.134 N/A GLY 551.A N ASN 569.A OD1 no hydrogen 3.159 N/A CYS 552.A N THR 549.A O no hydrogen 3.016 N/A ARG 557.A N ASN 554.A O no hydrogen 2.673 N/A CYS 560.A N CYS 552.A O no hydrogen 2.918 N/A CYS 560.A SG CYS 552.A O no hydrogen 3.425 N/A SER 561.A OG LEU 581.A O no hydrogen 2.943 N/A SER 561.A OG CYS 582.A O no hydrogen 3.090 N/A ARG 563.A N CYS 560.A O no hydrogen 3.298 N/A ARG 563.A NE CYS 582.A O no hydrogen 3.208 N/A ARG 563.A NH2 GLN 649.A O no hydrogen 2.873 N/A ARG 567.A N VAL 570.A O no hydrogen 3.238 N/A VAL 570.A N ARG 567.A O no hydrogen 3.082 N/A CYS 571.A SG CYS 552.A O no hydrogen 3.357 N/A GLU 572.A N ARG 565.A O no hydrogen 3.073 N/A CYS 573.A SG CYS 571.A O no hydrogen 3.230 N/A CYS 573.A SG GLN 578.A O no hydrogen 4.001 N/A HIS 574.A ND1 SER 575.A OG no hydrogen 3.070 N/A SER 575.A OG HIS 574.A ND1 no hydrogen 3.070 N/A GLN 578.A N GLU 584.A O no hydrogen 3.210 N/A GLN 578.A NE2 GLY 576.A O no hydrogen 3.647 N/A CYS 588.A SG CYS 585.A O no hydrogen 3.924 N/A CYS 592.A SG SER 590.A OG no hydrogen 3.137 N/A CYS 592.A SG THR 631.A O no hydrogen 3.492 N/A LYS 594.A N PRO 591.A O no hydrogen 3.401 N/A TYR 595.A N CYS 592.A O no hydrogen 3.283 N/A CYS 598.A SG ALA 616.A O no hydrogen 3.809 N/A ALA 599.A N TYR 595.A O no hydrogen 2.773 N/A GLU 600.A N ILE 596.A O no hydrogen 2.951 N/A CYS 601.A N SER 597.A O no hydrogen 2.909 N/A CYS 601.A SG PHE 609.A O no hydrogen 3.091 N/A LEU 602.A N CYS 598.A O no hydrogen 3.011 N/A LYS 603.A N ALA 599.A O no hydrogen 3.306 N/A LYS 603.A NZ ASN 624.A OD1 no hydrogen 3.477 N/A PHE 604.A N GLU 600.A O no hydrogen 3.149 N/A GLU 605.A N CYS 601.A O no hydrogen 3.082 N/A LYS 606.A NZ GLU 600.A OE2 no hydrogen 2.701 N/A LYS 606.A NZ ASP 636.A OD2 no hydrogen 2.800 N/A ALA 616.A N ASN 612.A O no hydrogen 3.150 N/A ALA 616.A N CYS 613.A O no hydrogen 2.659 N/A CYS 617.A N CYS 613.A O no hydrogen 3.026 N/A GLN 621.A N TYR 655.A O no hydrogen 3.130 N/A SER 623.A N ILE 657.A O no hydrogen 2.874 N/A SER 623.A OG ASN 625.A O no hydrogen 2.621 N/A ASN 625.A N SER 623.A OG no hydrogen 3.183 N/A LYS 628.A N GLU 647.A OE1 no hydrogen 3.414 N/A LYS 628.A NZ GLU 647.A OE1 no hydrogen 3.539 N/A ARG 630.A N LEU 646.A O no hydrogen 3.024 N/A CYS 632.A N TYR 644.A O no hydrogen 2.698 N/A CYS 632.A SG ARG 630.A O no hydrogen 4.007 N/A LYS 633.A NZ GLU 664.A OE1 no hydrogen 3.140 N/A LYS 633.A NZ GLU 664.A OE2 no hydrogen 3.402 N/A GLU 634.A N VAL 642.A O no hydrogen 3.187 N/A ASP 636.A N CYS 640.A O no hydrogen 2.779 N/A SER 637.A N GLU 600.A OE1 no hydrogen 2.798 N/A SER 637.A N GLU 600.A OE2 no hydrogen 3.368 N/A GLY 639.A N ASP 636.A O no hydrogen 3.204 N/A CYS 640.A SG GLU 638.A OE2 no hydrogen 3.868 N/A TRP 641.A N GLU 664.A O no hydrogen 2.820 N/A VAL 642.A N GLU 634.A O no hydrogen 2.637 N/A TYR 644.A N CYS 632.A O no hydrogen 2.867 N/A TYR 644.A OH CYS 592.A O no hydrogen 2.423 N/A THR 645.A N TYR 658.A O no hydrogen 2.871 N/A LEU 646.A N ARG 630.A O no hydrogen 3.015 N/A GLU 647.A N LEU 656.A O no hydrogen 2.985 N/A GLN 648.A NE2 TYR 577.A OH no hydrogen 2.554 N/A GLN 649.A N ARG 654.A O no hydrogen 2.830 N/A TYR 655.A N GLY 619.A O no hydrogen 2.868 N/A LEU 656.A N GLU 647.A O no hydrogen 2.684 N/A ILE 657.A N GLN 621.A O no hydrogen 2.816 N/A TYR 658.A N THR 645.A O no hydrogen 3.032 N/A ASP 660.A N ALA 643.A O no hydrogen 2.965 N/A SER 662.A N ASP 660.A OD1 no hydrogen 2.776 N/A GLU 664.A N TRP 641.A O no hydrogen 3.063 N/A