Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5wbk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N ALA 1.A O no hydrogen 3.188 N/A ALA 5.A N THR 2.A O no hydrogen 2.933 N/A GLN 9.A NE2 GLU 718.A OE2 no hydrogen 3.224 N/A THR 10.A OG1 GLN 852.A O no hydrogen 3.502 N/A VAL 12.A N ASN 804.A OD1 no hydrogen 3.153 N/A CYS 14.A SG VAL 12.A O no hydrogen 3.768 N/A GLU 15.A N HIS 18.A ND1 no hydrogen 3.279 N/A ARG 17.A NE GLU 873.A OE2 no hydrogen 3.058 N/A ARG 17.A NH1 GLU 579.A OE2 no hydrogen 2.741 N/A HIS 18.A N GLU 15.A O no hydrogen 2.852 N/A HIS 18.A NE2 GLU 873.A OE2 no hydrogen 3.156 N/A ALA 20.A N ASP 19.A OD1 no hydrogen 2.841 N/A THR 29.A OG1 SER 30.A O no hydrogen 3.430 N/A ARG 43.A N LYS 41.A O no hydrogen 2.747 N/A THR 46.A OG1 ASP 306.A OD2 no hydrogen 2.832 N/A GLY 47.A N ARG 129.A O no hydrogen 3.039 N/A CYS 48.A SG ARG 102.A O no hydrogen 3.931 N/A VAL 49.A N ARG 102.A O no hydrogen 2.688 N/A ALA 50.A N LEU 131.A O no hydrogen 2.739 N/A LEU 51.A N LYS 104.A O no hydrogen 2.868 N/A VAL 52.A N HIS 133.A O no hydrogen 2.717 N/A LEU 53.A N GLN 106.A O no hydrogen 2.785 N/A CYS 54.A N ASN 135.A O no hydrogen 2.880 N/A CYS 54.A SG TRP 149.A O no hydrogen 3.773 N/A LEU 55.A N ASP 108.A OD1 no hydrogen 2.841 N/A ASP 63.A N PRO 61.A O no hydrogen 2.816 N/A CYS 65.A SG ALA 66.A O no hydrogen 3.960 N/A ARG 67.A NH1 ASP 60.A OD1 no hydrogen 2.622 N/A GLU 69.A N ILE 72.A O no hydrogen 3.016 N/A ALA 70.A N ASP 229.A OD2 no hydrogen 3.280 N/A TRP 71.A NE1 THR 237.A OG1 no hydrogen 2.911 N/A ILE 72.A N GLU 69.A O no hydrogen 3.272 N/A SER 76.A N ASP 73.A O no hydrogen 3.127 N/A SER 76.A OG ASP 73.A O no hydrogen 2.624 N/A ALA 82.A N ALA 78.A O no hydrogen 2.916 N/A LEU 83.A N PRO 79.A O no hydrogen 2.936 N/A GLU 84.A N PRO 80.A O no hydrogen 3.268 N/A THR 85.A N LYS 81.A O no hydrogen 3.081 N/A THR 85.A OG1 LYS 81.A O no hydrogen 2.564 N/A ILE 86.A N ALA 82.A O no hydrogen 3.000 N/A GLY 87.A N LEU 83.A O no hydrogen 3.315 N/A LYS 88.A N GLU 84.A O no hydrogen 2.856 N/A ASN 89.A N THR 85.A O no hydrogen 2.696 N/A ASN 89.A ND2 ALA 70.A O no hydrogen 3.022 N/A LEU 90.A N ILE 86.A O no hydrogen 2.983 N/A SER 91.A N GLY 87.A O no hydrogen 3.239 N/A THR 92.A N LYS 88.A O no hydrogen 3.165 N/A THR 92.A OG1 LYS 88.A O no hydrogen 3.120 N/A GLN 93.A N ASN 89.A O no hydrogen 2.780 N/A GLN 93.A NE2 ALA 70.A O no hydrogen 3.117 N/A TYR 94.A N LEU 90.A O no hydrogen 3.170 N/A TYR 94.A OH HIS 133.A ND1 no hydrogen 2.680 N/A GLU 95.A N SER 91.A O no hydrogen 2.780 N/A ARG 96.A N THR 92.A O no hydrogen 3.222 N/A ARG 96.A NH1 ASN 279.A OD1 no hydrogen 3.166 N/A ARG 96.A NH2 ASN 279.A OD1 no hydrogen 2.874 N/A TRP 97.A N TYR 94.A O no hydrogen 2.868 N/A TRP 97.A NE1 THR 236.A O no hydrogen 2.944 N/A GLN 98.A N TYR 94.A O no hydrogen 3.475 N/A ARG 102.A N GLY 47.A O no hydrogen 2.859 N/A ARG 102.A NE TYR 124.A OH no hydrogen 3.336 N/A TYR 103.A OH GLN 98.A O no hydrogen 2.716 N/A LYS 104.A N VAL 49.A O no hydrogen 2.880 N/A GLN 106.A N LEU 51.A O no hydrogen 2.739 N/A ASP 108.A N LEU 53.A O no hydrogen 2.778 N/A VAL 114.A N THR 110.A O no hydrogen 3.211 N/A ARG 115.A N VAL 111.A O no hydrogen 2.923 N/A LYS 116.A N ASP 112.A O no hydrogen 3.306 N/A LEU 117.A N GLU 113.A O no hydrogen 3.015 N/A CYS 118.A N VAL 114.A O no hydrogen 2.972 N/A CYS 118.A SG VAL 114.A O no hydrogen 3.550 N/A LEU 119.A N ARG 115.A O no hydrogen 2.829 N/A THR 120.A N LYS 116.A O no hydrogen 2.868 N/A THR 120.A OG1 LYS 116.A O no hydrogen 2.480 N/A CYS 121.A N LEU 117.A O no hydrogen 3.039 N/A CYS 121.A SG LEU 117.A O no hydrogen 3.219 N/A ARG 122.A N CYS 118.A O no hydrogen 3.076 N/A ARG 122.A NH1 LYS 126.A O no hydrogen 2.862 N/A ARG 122.A NH1 GLU 128.A O no hydrogen 3.286 N/A ARG 122.A NH2 PRO 173.A O no hydrogen 2.710 N/A LYS 123.A N LEU 119.A O no hydrogen 3.059 N/A TYR 124.A N THR 120.A O no hydrogen 2.877 N/A ALA 125.A N CYS 121.A O no hydrogen 2.926 N/A ARG 129.A N LYS 45.A O no hydrogen 2.949 N/A ARG 129.A NE ASP 306.A OD2 no hydrogen 3.168 N/A ARG 129.A NH1 ASP 207.A OD1 no hydrogen 3.333 N/A VAL 130.A N PRO 173.A O no hydrogen 3.205 N/A LEU 131.A N CYS 48.A O no hydrogen 2.977 N/A PHE 132.A N ILE 175.A O no hydrogen 2.923 N/A HIS 133.A N ALA 50.A O no hydrogen 2.870 N/A TYR 134.A N VAL 177.A O no hydrogen 2.868 N/A TYR 134.A OH TRP 149.A O no hydrogen 2.647 N/A ASN 135.A N VAL 52.A O no hydrogen 3.141 N/A HIS 137.A ND1 GLU 69.A OE2 no hydrogen 2.729 N/A GLY 138.A N CYS 54.A O no hydrogen 2.943 N/A LYS 141.A N ASP 63.A OD2 no hydrogen 2.920 N/A THR 143.A N GLU 147.A O no hydrogen 3.379 N/A ILE 148.A N LEU 161.A O no hydrogen 2.729 N/A VAL 150.A N ILE 159.A O no hydrogen 2.797 N/A PHE 151.A N PRO 109.A O no hydrogen 3.048 N/A ASN 152.A ND2 THR 156.A OG1 no hydrogen 3.011 N/A SER 154.A OG THR 156.A OG1 no hydrogen 2.784 N/A TYR 155.A N ASN 152.A O no hydrogen 3.176 N/A THR 156.A OG1 SER 154.A OG no hydrogen 2.784 N/A GLN 157.A N ASN 152.A OD1 no hydrogen 3.073 N/A ILE 159.A N VAL 150.A O no hydrogen 2.883 N/A LEU 161.A N ILE 148.A O no hydrogen 2.614 N/A ILE 163.A N GLY 146.A O no hydrogen 3.002 N/A ASP 167.A N ILE 163.A O no hydrogen 3.017 N/A SER 168.A N SER 164.A O no hydrogen 3.047 N/A SER 168.A OG GLU 165.A O no hydrogen 2.648 N/A TRP 169.A N GLU 165.A O no hydrogen 3.251 N/A LEU 170.A N LEU 166.A O no hydrogen 3.085 N/A SER 174.A N ASP 207.A O no hydrogen 3.412 N/A SER 174.A OG LYS 171.A O no hydrogen 2.968 N/A SER 174.A OG THR 172.A O no hydrogen 3.443 N/A ILE 175.A N VAL 130.A O no hydrogen 2.924 N/A TYR 176.A N ILE 209.A O no hydrogen 2.709 N/A TYR 176.A OH ASP 167.A OD2 no hydrogen 3.292 N/A VAL 177.A N PHE 132.A O no hydrogen 2.763 N/A PHE 178.A N LEU 211.A O no hydrogen 2.851 N/A ASP 179.A N TYR 134.A O no hydrogen 3.083 N/A CYS 180.A SG SER 181.A O no hydrogen 3.670 N/A ALA 182.A N GLU 218.A O no hydrogen 2.976 N/A ARG 184.A N CYS 214.A O no hydrogen 3.220 N/A ARG 184.A NE ASP 215.A OD1 no hydrogen 3.431 N/A MET 185.A N ALA 182.A O no hydrogen 3.308 N/A ILE 186.A N ALA 183.A O no hydrogen 3.025 N/A ASN 188.A N ARG 184.A O no hydrogen 2.862 N/A ALA 189.A N MET 185.A O no hydrogen 3.258 N/A PHE 190.A N ILE 186.A O no hydrogen 2.935 N/A ALA 191.A N LEU 187.A O no hydrogen 3.089 N/A GLU 192.A N ALA 189.A O no hydrogen 2.952 N/A LEU 193.A N PHE 190.A O no hydrogen 3.181 N/A HIS 194.A NE2 ASP 167.A OD1 no hydrogen 3.086 N/A TRP 196.A NE1 ALA 191.A O no hydrogen 2.944 N/A CYS 208.A SG ASP 167.A OD2 no hydrogen 3.554 N/A ILE 209.A N SER 174.A O no hydrogen 3.133 N/A LEU 211.A N TYR 176.A O no hydrogen 2.926 N/A ALA 212.A N ILE 331.A O no hydrogen 2.997 N/A ALA 213.A N PHE 178.A O no hydrogen 3.103 N/A CYS 214.A SG CYS 180.A O no hydrogen 3.453 N/A CYS 214.A SG ASP 215.A O no hydrogen 3.740 N/A CYS 214.A SG GLU 218.A O no hydrogen 3.729 N/A ASP 215.A N GLU 218.A OE1 no hydrogen 2.982 N/A LEU 220.A N SER 181.A OG no hydrogen 2.941 N/A PHE 226.A N SER 223.A O no hydrogen 3.319 N/A ALA 228.A N ILE 68.A O no hydrogen 2.850 N/A ASP 229.A N ILE 68.A O no hydrogen 3.419 N/A THR 232.A OG1 ASP 179.A OD2 no hydrogen 2.631 N/A SER 233.A N ASP 229.A O no hydrogen 2.720 N/A SER 233.A OG ASP 229.A O no hydrogen 2.817 N/A SER 233.A OG ASP 229.A OD2 no hydrogen 3.004 N/A CYS 234.A N VAL 230.A O no hydrogen 2.804 N/A CYS 234.A SG VAL 230.A O no hydrogen 3.337 N/A LEU 235.A N PHE 231.A O no hydrogen 2.993 N/A THR 236.A N THR 232.A O no hydrogen 2.683 N/A THR 237.A N SER 233.A O no hydrogen 3.151 N/A THR 237.A OG1 SER 233.A O no hydrogen 2.717 N/A THR 237.A OG1 THR 237.A O no hydrogen 2.512 N/A LYS 240.A NZ ASP 262.A OD1 no hydrogen 3.248 N/A MET 241.A N THR 237.A O no hydrogen 3.228 N/A ALA 242.A N PRO 238.A O no hydrogen 2.706 N/A LEU 243.A N ILE 239.A O no hydrogen 3.062 N/A LYS 244.A N LYS 240.A O no hydrogen 3.272 N/A LYS 244.A NZ ASP 262.A OD1 no hydrogen 3.331 N/A TRP 245.A N MET 241.A O no hydrogen 2.904 N/A PHE 246.A N ALA 242.A O no hydrogen 2.954 N/A CYS 247.A N LEU 243.A O no hydrogen 2.845 N/A CYS 247.A SG LEU 243.A O no hydrogen 3.329 N/A ARG 248.A N LYS 244.A O no hydrogen 3.426 N/A ARG 248.A NE GLU 258.A OE1 no hydrogen 3.508 N/A ARG 248.A NH2 GLU 258.A OE1 no hydrogen 3.340 N/A ARG 249.A N TRP 245.A O no hydrogen 3.183 N/A SER 250.A N PHE 246.A O no hydrogen 3.062 N/A SER 250.A OG PHE 246.A O no hydrogen 2.615 N/A SER 259.A OG ASP 257.A OD1 no hydrogen 2.638 N/A LEU 260.A N ASP 257.A OD1 no hydrogen 3.003 N/A ILE 261.A N GLU 258.A O no hydrogen 3.241 N/A ASP 262.A N SER 259.A O no hydrogen 3.278 N/A ARG 263.A N LEU 260.A O no hydrogen 2.944 N/A ARG 267.A NE ASP 270.A OD2 no hydrogen 3.066 N/A ARG 267.A NH2 ASP 270.A OD2 no hydrogen 3.133 N/A THR 273.A N ASP 270.A O no hydrogen 3.286 N/A THR 273.A OG1 ARG 267.A O no hydrogen 3.244 N/A THR 273.A OG1 ASP 270.A O no hydrogen 2.898 N/A LEU 275.A N PRO 265.A O no hydrogen 3.147 N/A GLU 277.A N THR 273.A O no hydrogen 2.955 N/A LEU 278.A N LEU 274.A O no hydrogen 3.239 N/A ASN 279.A N LEU 275.A O no hydrogen 2.958 N/A TRP 280.A N GLY 276.A O no hydrogen 2.859 N/A ILE 281.A N GLU 277.A O no hydrogen 3.092 N/A PHE 282.A N LEU 278.A O no hydrogen 3.039 N/A THR 283.A N ASN 279.A O no hydrogen 3.067 N/A THR 283.A OG1 ASN 279.A O no hydrogen 3.027 N/A ALA 284.A N TRP 280.A O no hydrogen 2.885 N/A VAL 285.A N ILE 281.A O no hydrogen 2.753 N/A THR 286.A N PHE 282.A O no hydrogen 2.763 N/A THR 286.A OG1 PHE 282.A O no hydrogen 2.908 N/A ASP 287.A N THR 283.A O no hydrogen 2.867 N/A THR 288.A N ALA 284.A O no hydrogen 3.150 N/A THR 288.A OG1 ALA 284.A O no hydrogen 2.820 N/A ILE 289.A N VAL 285.A O no hydrogen 3.162 N/A ALA 290.A N THR 286.A O no hydrogen 3.102 N/A TRP 291.A N ASP 287.A O no hydrogen 3.150 N/A ASN 292.A N THR 288.A O no hydrogen 3.189 N/A VAL 293.A N ILE 289.A O no hydrogen 3.002 N/A LEU 294.A N ALA 290.A O no hydrogen 2.937 N/A HIS 296.A ND1 SER 436.A OG no hydrogen 2.885 N/A PHE 299.A N PRO 295.A O no hydrogen 3.052 N/A GLN 300.A N HIS 296.A O no hydrogen 3.142 N/A GLN 300.A NE2 SER 436.A O no hydrogen 3.219 N/A ARG 301.A N GLU 297.A O no hydrogen 3.237 N/A ARG 301.A NH2 ASP 207.A OD1 no hydrogen 3.033 N/A LEU 302.A N LEU 298.A O no hydrogen 3.149 N/A PHE 303.A N PHE 299.A O no hydrogen 2.716 N/A ARG 304.A N GLN 300.A O no hydrogen 3.209 N/A ARG 304.A NE VAL 437.A O no hydrogen 2.653 N/A ARG 304.A NH1 ASP 287.A OD1 no hydrogen 2.685 N/A ARG 304.A NH1 ASP 287.A OD2 no hydrogen 2.925 N/A ARG 304.A NH2 ASP 287.A OD2 no hydrogen 3.369 N/A ARG 304.A NH2 VAL 437.A O no hydrogen 2.703 N/A LEU 308.A N ASP 306.A OD1 no hydrogen 3.055 N/A ALA 310.A N ASP 306.A O no hydrogen 2.855 N/A SER 311.A N LEU 307.A O no hydrogen 3.324 N/A SER 311.A OG LEU 307.A O no hydrogen 2.779 N/A LEU 312.A N LEU 308.A O no hydrogen 2.827 N/A PHE 313.A N VAL 309.A O no hydrogen 2.743 N/A ARG 314.A N ALA 310.A O no hydrogen 2.897 N/A ASN 315.A N SER 311.A O no hydrogen 2.803 N/A ASN 315.A ND2 LEU 235.A O no hydrogen 2.753 N/A PHE 316.A N LEU 312.A O no hydrogen 2.744 N/A LEU 317.A N ARG 314.A O no hydrogen 2.833 N/A LEU 318.A N ASN 315.A O no hydrogen 3.169 N/A ALA 319.A N ASN 315.A O no hydrogen 3.393 N/A GLU 320.A N PHE 316.A O no hydrogen 2.842 N/A ARG 321.A N LEU 318.A O no hydrogen 3.152 N/A ARG 321.A NH1 ASP 349.A OD1 no hydrogen 2.807 N/A ARG 321.A NH2 ASP 349.A OD1 no hydrogen 3.247 N/A ARG 321.A NH2 ASP 349.A OD2 no hydrogen 2.810 N/A ILE 322.A N LEU 318.A O no hydrogen 2.904 N/A MET 323.A N ALA 319.A O no hydrogen 3.051 N/A ARG 324.A NE GLU 320.A O no hydrogen 3.152 N/A SER 325.A N ILE 322.A O no hydrogen 2.823 N/A SER 325.A OG ILE 322.A O no hydrogen 2.443 N/A ALA 326.A N MET 323.A O no hydrogen 2.741 N/A CYS 328.A SG THR 219.A O no hydrogen 3.320 N/A CYS 328.A SG ALA 326.A O no hydrogen 4.017 N/A CYS 328.A SG ASN 327.A O no hydrogen 3.052 N/A ASN 329.A N GLU 218.A OE1 no hydrogen 2.682 N/A ASN 329.A ND2 GLU 218.A OE1 no hydrogen 3.344 N/A ASN 329.A ND2 GLU 218.A OE2 no hydrogen 2.725 N/A ILE 331.A N ALA 212.A O no hydrogen 3.113 N/A SER 332.A OG PRO 334.A O no hydrogen 2.678 N/A THR 339.A OG1 GLU 320.A OE2 no hydrogen 3.278 N/A THR 339.A OG1 PRO 337.A O no hydrogen 3.053 N/A TRP 345.A N HIS 342.A O no hydrogen 3.276 N/A TRP 348.A N MET 344.A O no hydrogen 3.264 N/A ASP 349.A N TRP 345.A O no hydrogen 2.816 N/A MET 350.A N ASP 346.A O no hydrogen 3.113 N/A ALA 351.A N ALA 347.A O no hydrogen 3.197 N/A ALA 352.A N TRP 348.A O no hydrogen 2.845 N/A GLU 353.A N ASP 349.A O no hydrogen 3.037 N/A ILE 354.A N MET 350.A O no hydrogen 3.063 N/A CYS 355.A N ALA 351.A O no hydrogen 2.976 N/A LEU 356.A N ALA 352.A O no hydrogen 2.876 N/A SER 357.A N GLU 353.A O no hydrogen 3.126 N/A SER 357.A OG GLU 353.A O no hydrogen 3.383 N/A SER 357.A OG ILE 354.A O no hydrogen 3.337 N/A LEU 359.A N CYS 355.A O no hydrogen 3.017 N/A GLN 361.A N GLN 358.A O no hydrogen 3.254 N/A GLN 361.A NE2 SER 357.A O no hydrogen 3.414 N/A LEU 362.A N GLN 358.A O no hydrogen 3.327 N/A SER 367.A N ASP 365.A O no hydrogen 2.630 N/A GLU 369.A N SER 367.A OG no hydrogen 3.078 N/A SER 373.A N GLU 277.A OE2 no hydrogen 2.782 N/A THR 377.A OG1 HIS 412.A NE2 no hydrogen 2.932 N/A GLU 378.A N PRO 374.A O no hydrogen 2.944 N/A GLN 379.A N PHE 375.A O no hydrogen 3.022 N/A GLN 379.A N PHE 376.A O no hydrogen 3.191 N/A GLN 379.A NE2 GLN 399.A OE1 no hydrogen 3.220 N/A LEU 380.A N PHE 376.A O no hydrogen 3.059 N/A THR 381.A N THR 377.A O no hydrogen 3.302 N/A THR 381.A OG1 THR 377.A O no hydrogen 2.873 N/A ALA 382.A N GLU 378.A O no hydrogen 3.453 N/A PHE 383.A N GLN 379.A O no hydrogen 3.133 N/A GLU 384.A N LEU 380.A O no hydrogen 3.136 N/A VAL 385.A N THR 381.A O no hydrogen 3.003 N/A TRP 386.A N ALA 382.A O no hydrogen 3.333 N/A LEU 387.A N PHE 383.A O no hydrogen 2.982 N/A ASP 388.A N GLU 384.A O no hydrogen 3.316 N/A HIS 389.A N VAL 385.A O no hydrogen 3.173 N/A SER 391.A OG LEU 387.A O no hydrogen 3.129 N/A GLU 392.A N GLY 390.A O no hydrogen 2.908 N/A GLN 399.A N PRO 397.A O no hydrogen 2.724 N/A GLN 399.A NE2 ALA 382.A O no hydrogen 3.544 N/A VAL 403.A N GLN 399.A O no hydrogen 3.037 N/A LEU 404.A N LEU 400.A O no hydrogen 3.230 N/A GLN 405.A N PRO 401.A O no hydrogen 3.301 N/A VAL 406.A N ILE 402.A O no hydrogen 3.128 N/A LEU 407.A N VAL 403.A O no hydrogen 3.292 N/A LEU 408.A N GLN 405.A O no hydrogen 3.341 N/A SER 409.A N VAL 406.A O no hydrogen 3.032 N/A ARG 413.A N GLN 410.A O no hydrogen 3.158 N/A ARG 413.A NE LEU 407.A O no hydrogen 3.182 N/A ARG 413.A NH2 LEU 407.A O no hydrogen 2.808 N/A ARG 415.A NH1 THR 377.A O no hydrogen 3.338 N/A ALA 416.A N HIS 412.A O no hydrogen 3.202 N/A LEU 417.A N ARG 413.A O no hydrogen 2.953 N/A VAL 418.A N PHE 414.A O no hydrogen 2.897 N/A LEU 419.A N ARG 415.A O no hydrogen 2.855 N/A LEU 420.A N ALA 416.A O no hydrogen 2.756 N/A GLY 421.A N LEU 417.A O no hydrogen 2.907 N/A ARG 422.A N VAL 418.A O no hydrogen 2.903 N/A ARG 422.A NH2 ASP 388.A OD1 no hydrogen 3.302 N/A PHE 423.A N LEU 419.A O no hydrogen 2.923 N/A LEU 424.A N LEU 420.A O no hydrogen 2.720 N/A ASP 425.A N GLY 421.A O no hydrogen 2.921 N/A MET 426.A N PHE 423.A O no hydrogen 3.285 N/A GLY 427.A N LEU 424.A O no hydrogen 3.399 N/A ALA 430.A N GLY 427.A O no hydrogen 3.091 N/A VAL 431.A N GLY 427.A O no hydrogen 3.230 N/A ASP 432.A N SER 428.A O no hydrogen 2.790 N/A LEU 433.A N TRP 429.A O no hydrogen 2.868 N/A ALA 434.A N ALA 430.A O no hydrogen 2.991 N/A LEU 435.A N VAL 431.A O no hydrogen 2.962 N/A SER 436.A N ASP 432.A O no hydrogen 3.175 N/A SER 436.A OG HIS 296.A ND1 no hydrogen 2.885 N/A VAL 437.A N LEU 433.A O no hydrogen 3.203 N/A GLY 438.A N ALA 434.A O no hydrogen 3.226 N/A VAL 443.A N ILE 439.A O no hydrogen 3.022 N/A LEU 444.A N PHE 440.A O no hydrogen 2.900 N/A LYS 445.A N PRO 441.A O no hydrogen 2.983 N/A LEU 446.A N TYR 442.A O no hydrogen 3.028 N/A LEU 447.A N LEU 444.A O no hydrogen 3.269 N/A GLN 448.A N LYS 445.A O no hydrogen 3.036 N/A THR 449.A N LEU 446.A O no hydrogen 3.124 N/A THR 449.A OG1 LEU 446.A O no hydrogen 2.942 N/A LEU 454.A N THR 451.A O no hydrogen 2.987 N/A ILE 457.A N LEU 454.A O no hydrogen 2.620 N/A LEU 458.A N LEU 454.A O no hydrogen 3.473 N/A VAL 459.A N ARG 455.A O no hydrogen 2.869 N/A ILE 461.A N ILE 457.A O no hydrogen 2.883 N/A TRP 462.A N LEU 458.A O no hydrogen 3.042 N/A TRP 462.A NE1 VAL 443.A O no hydrogen 3.338 N/A THR 463.A N VAL 459.A O no hydrogen 2.795 N/A THR 463.A OG1 VAL 459.A O no hydrogen 2.801 N/A LYS 464.A N PHE 460.A O no hydrogen 3.160 N/A LYS 464.A NZ ASP 425.A OD1 no hydrogen 3.502 N/A LYS 464.A NZ PHE 702.A O no hydrogen 2.822 N/A ILE 465.A N ILE 461.A O no hydrogen 3.035 N/A LEU 466.A N TRP 462.A O no hydrogen 2.828 N/A ALA 467.A N THR 463.A O no hydrogen 2.822 N/A LEU 468.A N LYS 464.A O no hydrogen 3.436 N/A LEU 468.A N ILE 465.A O no hydrogen 3.181 N/A ASP 469.A N ILE 465.A O no hydrogen 2.960 N/A SER 471.A N ASP 469.A OD1 no hydrogen 3.292 N/A SER 471.A OG ASP 469.A OD1 no hydrogen 2.731 N/A SER 471.A OG ASP 469.A OD2 no hydrogen 3.145 N/A CYS 472.A SG ASP 469.A O no hydrogen 3.557 N/A GLN 473.A N LYS 470.A O no hydrogen 3.316 N/A GLN 473.A NE2 VAL 508.A O no hydrogen 2.731 N/A GLN 473.A NE2 ASP 511.A O no hydrogen 2.528 N/A ILE 474.A N SER 471.A O no hydrogen 3.450 N/A LEU 476.A N CYS 472.A O no hydrogen 3.004 N/A VAL 477.A N GLN 473.A O no hydrogen 3.002 N/A LYS 478.A N ILE 474.A O no hydrogen 3.146 N/A ASP 479.A N ASP 475.A O no hydrogen 3.390 N/A GLY 480.A N VAL 477.A O no hydrogen 3.128 N/A GLY 481.A N LEU 476.A O no hydrogen 2.710 N/A THR 483.A N GLY 480.A O no hydrogen 3.346 N/A THR 483.A OG1 GLY 480.A O no hydrogen 3.525 N/A TYR 484.A N GLY 481.A O no hydrogen 2.914 N/A PHE 485.A N HIS 482.A O no hydrogen 3.260 N/A ILE 486.A N HIS 482.A O no hydrogen 3.231 N/A ARG 487.A N THR 483.A O no hydrogen 2.902 N/A PHE 488.A N TYR 484.A O no hydrogen 3.386 N/A LEU 489.A N PHE 485.A O no hydrogen 2.967 N/A ASP 490.A N ILE 486.A O no hydrogen 3.153 N/A SER 491.A OG PHE 488.A O no hydrogen 2.717 N/A GLN 498.A NE2 GLN 456.A O no hydrogen 3.671 N/A ARG 499.A NH1 HIS 532.A NE2 no hydrogen 3.309 N/A ARG 499.A NH2 GLY 493.A O no hydrogen 2.905 N/A ALA 500.A N PRO 496.A O no hydrogen 2.968 N/A MET 501.A N GLU 497.A O no hydrogen 3.372 N/A ALA 502.A N GLN 498.A O no hydrogen 3.059 N/A ALA 503.A N ARG 499.A O no hydrogen 2.937 N/A PHE 504.A N ALA 500.A O no hydrogen 2.692 N/A VAL 505.A N MET 501.A O no hydrogen 2.707 N/A LEU 506.A N ALA 502.A O no hydrogen 2.991 N/A ALA 507.A N ALA 503.A O no hydrogen 2.911 N/A VAL 508.A N PHE 504.A O no hydrogen 2.981 N/A ILE 509.A N VAL 505.A O no hydrogen 3.036 N/A VAL 510.A N LEU 506.A O no hydrogen 2.933 N/A ASP 511.A N ALA 507.A O no hydrogen 2.939 N/A HIS 513.A ND1 ILE 509.A O no hydrogen 3.202 N/A ARG 514.A NH2 ASP 552.A O no hydrogen 2.708 N/A GLN 517.A N HIS 513.A O no hydrogen 2.880 N/A GLN 517.A NE2 LYS 548.A O no hydrogen 3.334 N/A GLN 517.A NE2 GLU 551.A O no hydrogen 3.575 N/A GLU 518.A N ARG 514.A O no hydrogen 2.911 N/A ALA 519.A N ARG 515.A O no hydrogen 3.118 N/A CYS 520.A N GLY 516.A O no hydrogen 2.956 N/A CYS 520.A SG GLY 516.A O no hydrogen 3.206 N/A LEU 521.A N GLN 517.A O no hydrogen 2.718 N/A GLU 522.A N GLU 518.A O no hydrogen 3.078 N/A ALA 523.A N ALA 519.A O no hydrogen 3.091 N/A ASN 524.A N LEU 521.A O no hydrogen 3.151 N/A ASN 524.A ND2 ASN 524.A O no hydrogen 2.894 N/A LEU 525.A N CYS 520.A O no hydrogen 3.047 N/A VAL 528.A N ASN 524.A O no hydrogen 2.972 N/A CYS 529.A N LEU 525.A O no hydrogen 3.241 N/A CYS 529.A SG LEU 525.A O no hydrogen 3.315 N/A LEU 530.A N ILE 526.A O no hydrogen 3.013 N/A GLY 531.A N GLY 527.A O no hydrogen 2.885 N/A HIS 532.A N CYS 529.A O no hydrogen 2.995 N/A HIS 532.A ND1 VAL 528.A O no hydrogen 2.755 N/A GLU 534.A N HIS 532.A O no hydrogen 2.941 N/A LEU 539.A N GLU 535.A O no hydrogen 2.930 N/A GLN 540.A N PRO 536.A O no hydrogen 2.716 N/A TRP 541.A N LEU 537.A O no hydrogen 3.031 N/A LEU 542.A N PHE 538.A O no hydrogen 2.900 N/A CYS 543.A N LEU 539.A O no hydrogen 3.217 N/A CYS 543.A SG LEU 539.A O no hydrogen 3.305 N/A LEU 544.A N GLN 540.A O no hydrogen 3.133 N/A CYS 545.A N TRP 541.A O no hydrogen 3.008 N/A CYS 545.A SG ALA 503.A O no hydrogen 3.828 N/A LEU 546.A N LEU 542.A O no hydrogen 2.890 N/A GLY 547.A N CYS 543.A O no hydrogen 2.694 N/A LYS 548.A N LEU 544.A O no hydrogen 3.079 N/A LYS 548.A NZ ASP 511.A OD1 no hydrogen 2.663 N/A LEU 549.A N CYS 545.A O no hydrogen 2.965 N/A TRP 550.A N LEU 546.A O no hydrogen 3.225 N/A TRP 550.A NE1 ALA 587.A O no hydrogen 2.816 N/A GLU 551.A N GLY 547.A O no hydrogen 3.133 N/A PHE 553.A N TRP 550.A O no hydrogen 2.968 N/A GLN 557.A N PHE 553.A O no hydrogen 3.259 N/A GLN 557.A NE2 THR 590.A O no hydrogen 2.768 N/A GLN 557.A NE2 LEU 592.A O no hydrogen 2.752 N/A ILE 558.A N MET 554.A O no hydrogen 2.977 N/A MET 559.A N GLU 555.A O no hydrogen 3.037 N/A GLY 560.A N ALA 556.A O no hydrogen 2.707 N/A ARG 561.A N GLN 557.A O no hydrogen 3.024 N/A ARG 561.A NH2 LEU 591.A O no hydrogen 3.383 N/A GLU 562.A N ILE 558.A O no hydrogen 3.072 N/A ASN 564.A N ARG 561.A O no hydrogen 2.776 N/A ALA 565.A N GLY 560.A O no hydrogen 2.843 N/A LYS 568.A N ALA 565.A O no hydrogen 3.156 N/A LYS 568.A NZ LEU 530.A O no hydrogen 3.294 N/A LYS 568.A NZ GLU 534.A OE1 no hydrogen 3.206 N/A LEU 569.A N ALA 565.A O no hydrogen 2.789 N/A ALA 570.A N PHE 566.A O no hydrogen 3.030 N/A LEU 572.A N LEU 569.A O no hydrogen 2.827 N/A LEU 573.A N ALA 570.A O no hydrogen 2.992 N/A SER 574.A OG PRO 571.A O no hydrogen 2.969 N/A GLU 575.A N LEU 572.A O no hydrogen 3.099 N/A GLU 579.A N GLU 579.A OE1 no hydrogen 3.038 N/A ARG 581.A N GLN 577.A O no hydrogen 3.241 N/A ARG 581.A NE GLU 575.A O no hydrogen 2.625 N/A ARG 581.A NH1 ASP 617.A OD1 no hydrogen 2.619 N/A ARG 581.A NH1 GLU 873.A O no hydrogen 3.557 N/A ARG 581.A NH2 PRO 576.A O no hydrogen 2.837 N/A ARG 581.A NH2 LYS 872.A O no hydrogen 2.432 N/A ALA 582.A N PRO 578.A O no hydrogen 2.845 N/A ALA 583.A N GLU 579.A O no hydrogen 3.089 N/A ALA 584.A N VAL 580.A O no hydrogen 2.732 N/A VAL 585.A N ARG 581.A O no hydrogen 2.832 N/A PHE 586.A N ALA 582.A O no hydrogen 3.029 N/A ALA 587.A N ALA 583.A O no hydrogen 3.101 N/A LEU 588.A N ALA 584.A O no hydrogen 3.164 N/A GLY 589.A N VAL 585.A O no hydrogen 2.755 N/A THR 590.A N PHE 586.A O no hydrogen 2.863 N/A THR 590.A OG1 GLY 547.A O no hydrogen 2.896 N/A THR 590.A OG1 PHE 586.A O no hydrogen 3.219 N/A THR 590.A OG1 ALA 587.A O no hydrogen 3.158 N/A LEU 591.A N ALA 587.A O no hydrogen 3.242 N/A LEU 591.A N LEU 588.A O no hydrogen 3.248 N/A ILE 601.A N ASP 598.A O no hydrogen 2.726 N/A ALA 603.A N GLU 599.A O no hydrogen 3.316 N/A GLU 604.A N LYS 600.A O no hydrogen 2.647 N/A ASP 605.A N ILE 601.A O no hydrogen 3.123 N/A ALA 606.A N ARG 602.A O no hydrogen 3.278 N/A ILE 607.A N ALA 603.A O no hydrogen 2.657 N/A ILE 608.A N GLU 604.A O no hydrogen 3.125 N/A LYS 609.A N ASP 605.A O no hydrogen 3.049 N/A SER 610.A N ALA 606.A O no hydrogen 3.289 N/A SER 610.A OG ALA 606.A O no hydrogen 3.461 N/A SER 610.A OG ILE 607.A O no hydrogen 2.632 N/A LEU 611.A N ILE 607.A O no hydrogen 2.984 N/A LEU 612.A N ILE 608.A O no hydrogen 2.857 N/A ASP 613.A N LYS 609.A O no hydrogen 3.095 N/A VAL 614.A N LEU 611.A O no hydrogen 3.134 N/A VAL 615.A N LEU 612.A O no hydrogen 3.294 N/A SER 616.A OG GLN 842.A OE1 no hydrogen 3.270 N/A ASP 617.A N VAL 614.A O no hydrogen 3.470 N/A SER 619.A N ASP 617.A OD2 no hydrogen 2.826 N/A SER 619.A OG GLU 873.A OE2 no hydrogen 3.556 N/A VAL 622.A N SER 619.A O no hydrogen 3.238 N/A ARG 623.A N SER 619.A O no hydrogen 3.255 N/A ARG 623.A NE ASP 617.A O no hydrogen 2.719 N/A ARG 623.A NH1 GLY 837.A O no hydrogen 3.163 N/A ARG 623.A NH2 GLY 618.A O no hydrogen 3.030 N/A ARG 623.A NH2 GLY 837.A O no hydrogen 2.535 N/A ALA 624.A N PRO 620.A O no hydrogen 2.819 N/A VAL 626.A N VAL 622.A O no hydrogen 2.994 N/A ALA 627.A N ARG 623.A O no hydrogen 3.078 N/A VAL 628.A N ALA 624.A O no hydrogen 3.246 N/A ALA 629.A N GLU 625.A O no hydrogen 3.158 N/A LEU 630.A N VAL 626.A O no hydrogen 2.895 N/A ALA 631.A N ALA 627.A O no hydrogen 2.811 N/A ARG 632.A N VAL 628.A O no hydrogen 2.882 N/A ARG 632.A NE GLY 589.A O no hydrogen 3.034 N/A ARG 632.A NH2 LEU 592.A O no hydrogen 3.135 N/A PHE 633.A N ALA 629.A O no hydrogen 2.999 N/A ALA 634.A N LEU 630.A O no hydrogen 2.684 N/A PHE 635.A N ALA 631.A O no hydrogen 2.963 N/A GLY 636.A N ARG 632.A O no hydrogen 3.462 N/A HIS 637.A N ALA 634.A O no hydrogen 3.390 N/A HIS 637.A ND1 PHE 633.A O no hydrogen 2.860 N/A LEU 641.A N HIS 637.A O no hydrogen 2.988 N/A LYS 642.A N LYS 638.A O no hydrogen 3.090 N/A ALA 644.A N HIS 640.A O no hydrogen 2.953 N/A ALA 645.A N LEU 641.A O no hydrogen 2.938 N/A SER 647.A OG ALA 644.A O no hydrogen 3.473 N/A TYR 648.A N ALA 644.A O no hydrogen 3.383 N/A TRP 649.A N ALA 645.A O no hydrogen 3.440 N/A SER 653.A OG ALA 650.A O no hydrogen 3.555 N/A CYS 655.A N VAL 651.A O no hydrogen 3.361 N/A VAL 656.A N TYR 652.A O no hydrogen 3.182 N/A ARG 657.A N SER 653.A O no hydrogen 3.224 N/A ALA 658.A N GLN 654.A O no hydrogen 3.156 N/A MET 659.A N CYS 655.A O no hydrogen 2.887 N/A PHE 660.A N VAL 656.A O no hydrogen 3.090 N/A ALA 661.A N ARG 657.A O no hydrogen 2.863 N/A LEU 662.A N ALA 658.A O no hydrogen 2.817 N/A ALA 663.A N MET 659.A O no hydrogen 2.996 N/A LYS 664.A N ALA 661.A O no hydrogen 3.049 N/A ASP 665.A N LEU 662.A O no hydrogen 3.227 N/A SER 667.A N ASP 665.A OD1 no hydrogen 3.095 N/A ALA 671.A N SER 667.A O no hydrogen 3.075 N/A SER 672.A N PRO 668.A O no hydrogen 2.950 N/A SER 672.A OG PRO 668.A O no hydrogen 3.503 N/A SER 672.A OG ARG 669.A O no hydrogen 2.901 N/A LEU 673.A N ARG 669.A O no hydrogen 3.309 N/A GLY 674.A N ILE 670.A O no hydrogen 2.972 N/A ARG 675.A N ALA 671.A O no hydrogen 2.914 N/A ARG 676.A N SER 672.A O no hydrogen 2.943 N/A VAL 677.A N LEU 673.A O no hydrogen 2.925 N/A LEU 678.A N GLY 674.A O no hydrogen 2.984 N/A SER 679.A N ARG 675.A O no hydrogen 3.098 N/A SER 679.A OG ARG 675.A O no hydrogen 2.860 N/A SER 679.A OG ARG 676.A O no hydrogen 2.684 N/A ILE 680.A N ARG 676.A O no hydrogen 3.004 N/A ILE 680.A N VAL 677.A O no hydrogen 3.235 N/A ILE 681.A N VAL 677.A O no hydrogen 3.381 N/A GLY 682.A N LEU 678.A O no hydrogen 3.187 N/A ILE 683.A N LEU 678.A O no hydrogen 3.278 N/A LEU 689.A N ARG 686.A O no hydrogen 2.761 N/A SER 692.A OG GLU 625.A OE1 no hydrogen 2.737 N/A SER 692.A OG GLU 625.A OE2 no hydrogen 3.153 N/A THR 693.A N GLU 625.A OE2 no hydrogen 3.139 N/A ILE 694.A N GLU 625.A OE2 no hydrogen 2.900 N/A TYR 695.A OH ASP 511.A OD2 no hydrogen 3.368 N/A TRP 697.A N THR 693.A O no hydrogen 3.014 N/A SER 698.A N ILE 694.A O no hydrogen 3.123 N/A SER 698.A OG ILE 694.A O no hydrogen 2.711 N/A CYS 699.A N TYR 695.A O no hydrogen 3.079 N/A CYS 699.A SG TYR 695.A O no hydrogen 3.222 N/A GLY 700.A N TRP 697.A O no hydrogen 3.243 N/A HIS 701.A N SER 698.A O no hydrogen 3.107 N/A PHE 702.A N CYS 699.A O no hydrogen 3.104 N/A SER 703.A OG GLY 700.A O no hydrogen 3.113 N/A LEU 706.A N ASP 425.A OD1 no hydrogen 3.011 N/A LEU 706.A N ASP 425.A OD2 no hydrogen 3.368 N/A ALA 711.A N GLN 708.A O no hydrogen 3.349 N/A GLU 715.A N ALA 711.A O no hydrogen 2.992 N/A GLU 716.A N ALA 712.A O no hydrogen 3.060 N/A LYS 717.A N LYS 713.A O no hydrogen 3.440 N/A GLU 718.A N ARG 714.A O no hydrogen 3.058 N/A LYS 719.A N GLU 715.A O no hydrogen 2.943 N/A PHE 720.A N GLU 716.A O no hydrogen 3.114 N/A ALA 721.A N LYS 717.A O no hydrogen 2.811 N/A LEU 722.A N GLU 718.A O no hydrogen 2.875 N/A GLU 723.A N LYS 719.A O no hydrogen 3.178 N/A HIS 724.A N PHE 720.A O no hydrogen 3.040 N/A HIS 724.A ND1 PHE 720.A O no hydrogen 3.006 N/A ILE 725.A N ALA 721.A O no hydrogen 2.704 N/A ALA 726.A N LEU 722.A O no hydrogen 3.375 N/A LYS 727.A N GLU 723.A O no hydrogen 3.098 N/A CYS 728.A N HIS 724.A O no hydrogen 2.985 N/A CYS 728.A SG HIS 724.A O no hydrogen 3.209 N/A GLN 729.A N ILE 725.A O no hydrogen 2.973 N/A HIS 730.A N ALA 726.A O no hydrogen 2.800 N/A SER 731.A N LYS 727.A O no hydrogen 3.123 N/A SER 731.A OG LYS 727.A O no hydrogen 2.668 N/A SER 734.A OG LYS 735.A O no hydrogen 3.447 N/A SER 734.A OG ASP 1053.A OD1 no hydrogen 3.526 N/A LEU 736.A N LEU 1009.A O no hydrogen 2.901 N/A ASN 737.A N THR 1051.A O no hydrogen 2.770 N/A ASN 738.A ND2 ASN 738.A O no hydrogen 2.659 N/A ILE 741.A N ILE 1049.A O no hydrogen 2.801 N/A TRP 744.A N VAL 1047.A O no hydrogen 2.943 N/A THR 746.A N SER 1045.A O no hydrogen 3.147 N/A THR 746.A OG1 SER 1045.A O no hydrogen 2.927 N/A ARG 747.A N ASP 745.A OD1 no hydrogen 3.371 N/A PHE 748.A N THR 746.A OG1 no hydrogen 3.200 N/A LYS 753.A N ALA 767.A O no hydrogen 3.148 N/A LYS 753.A NZ GLY 751.A O no hydrogen 3.318 N/A LYS 753.A NZ GLU 769.A OE1 no hydrogen 2.901 N/A LEU 756.A N VAL 765.A O no hydrogen 2.915 N/A HIS 758.A N ILE 763.A O no hydrogen 3.032 N/A HIS 758.A NE2 SER 809.A OG no hydrogen 3.246 N/A SER 761.A OG HIS 758.A ND1 no hydrogen 2.874 N/A ILE 763.A N SER 761.A O no hydrogen 2.927 N/A VAL 764.A N TRP 776.A O no hydrogen 2.747 N/A VAL 765.A N LEU 756.A O no hydrogen 3.109 N/A ALA 766.A N ARG 774.A O no hydrogen 3.144 N/A ALA 767.A N THR 754.A O no hydrogen 3.031 N/A ASP 768.A N ARG 772.A O no hydrogen 3.009 N/A GLU 769.A N ASP 768.A OD1 no hydrogen 2.537 N/A GLU 771.A N ASP 768.A O no hydrogen 3.207 N/A ARG 772.A NH1 GLU 749.A OE2 no hydrogen 3.047 N/A ARG 772.A NH2 GLU 749.A OE1 no hydrogen 3.480 N/A ARG 774.A N ALA 766.A O no hydrogen 3.155 N/A VAL 775.A N ASN 785.A O no hydrogen 2.967 N/A ASN 777.A N THR 782.A O no hydrogen 2.609 N/A TYR 778.A N PRO 762.A O no hydrogen 3.412 N/A GLU 780.A N ASN 777.A OD1 no hydrogen 2.906 N/A THR 782.A N ASN 777.A O no hydrogen 3.098 N/A LEU 784.A N VAL 775.A O no hydrogen 2.726 N/A ASN 785.A ND2 TYR 826.A O no hydrogen 3.357 N/A GLY 786.A N ASN 785.A OD1 no hydrogen 2.549 N/A ASN 789.A N GLU 771.A O no hydrogen 2.993 N/A ASN 789.A ND2 GLU 771.A OE1 no hydrogen 2.829 N/A HIS 790.A NE2 GLU 771.A OE2 no hydrogen 2.674 N/A LYS 795.A NZ ASN 770.A O no hydrogen 3.458 N/A LYS 795.A NZ HIS 790.A O no hydrogen 2.770 N/A GLY 796.A N GLU 771.A OE2 no hydrogen 2.990 N/A SER 798.A N ALA 814.A O no hydrogen 2.858 N/A SER 798.A OG ALA 845.A O no hydrogen 2.705 N/A LYS 799.A N ALA 814.A O no hydrogen 3.102 N/A LYS 799.A NZ ASP 848.A OD1 no hydrogen 3.038 N/A CYS 801.A N LEU 812.A O no hydrogen 3.191 N/A ILE 803.A N LEU 810.A O no hydrogen 2.848 N/A ASN 804.A N GLN 851.A OE1 no hydrogen 2.910 N/A ASN 804.A ND2 VAL 12.A O no hydrogen 2.613 N/A ASP 807.A N ASN 804.A O no hydrogen 3.220 N/A SER 809.A OG HIS 758.A NE2 no hydrogen 3.246 N/A SER 809.A OG TYR 826.A OH no hydrogen 2.955 N/A LEU 810.A N ILE 803.A O no hydrogen 2.916 N/A LEU 811.A N TRP 823.A O no hydrogen 2.985 N/A LEU 812.A N CYS 801.A O no hydrogen 2.794 N/A VAL 813.A N ARG 821.A O no hydrogen 2.741 N/A ALA 814.A N LYS 799.A O no hydrogen 3.048 N/A SER 815.A N SER 819.A O no hydrogen 2.737 N/A SER 815.A OG GLU 771.A OE1 no hydrogen 2.924 N/A SER 815.A OG SER 819.A O no hydrogen 3.413 N/A CYS 816.A N GLY 796.A O no hydrogen 3.024 N/A CYS 816.A SG ILE 797.A O no hydrogen 3.060 N/A GLY 818.A N SER 815.A O no hydrogen 2.859 N/A SER 819.A N ASP 817.A OD1 no hydrogen 3.120 N/A SER 819.A OG ASP 817.A OD1 no hydrogen 2.848 N/A SER 819.A OG ASP 817.A OD2 no hydrogen 3.317 N/A VAL 820.A N PHE 838.A O no hydrogen 2.881 N/A ARG 821.A N VAL 813.A O no hydrogen 3.105 N/A ILE 822.A N THR 836.A O no hydrogen 2.948 N/A TRP 823.A N LEU 811.A O no hydrogen 3.094 N/A TRP 823.A NE1 ASN 789.A OD1 no hydrogen 2.868 N/A LYS 824.A N LYS 833.A O no hydrogen 3.019 N/A LYS 824.A NZ HIS 18.A O no hydrogen 3.163 N/A TYR 826.A OH SER 809.A OG no hydrogen 2.955 N/A THR 828.A N ASN 825.A O no hydrogen 3.171 N/A THR 828.A OG1 ASN 825.A O no hydrogen 3.205 N/A VAL 835.A N ILE 822.A O no hydrogen 2.751 N/A THR 836.A OG1 VAL 835.A O no hydrogen 2.931 N/A THR 836.A OG1 GLU 873.A OE1 no hydrogen 3.456 N/A PHE 838.A N VAL 820.A O no hydrogen 3.070 N/A SER 840.A OG GLY 818.A O no hydrogen 2.596 N/A GLN 842.A NE2 SER 616.A O no hydrogen 3.082 N/A GLN 842.A NE2 SER 839.A O no hydrogen 3.021 N/A ALA 845.A N CYS 816.A O no hydrogen 2.880 N/A VAL 846.A N SER 859.A O no hydrogen 2.715 N/A ASP 848.A N TYR 857.A O no hydrogen 2.836 N/A TRP 849.A NE1 GLN 851.A OE1 no hydrogen 2.829 N/A GLN 850.A N TYR 855.A O no hydrogen 2.937 N/A GLN 850.A NE2 SER 893.A O no hydrogen 2.759 N/A GLN 850.A NE2 GLN 899.A O no hydrogen 3.343 N/A GLN 851.A NE2 THR 10.A O no hydrogen 2.709 N/A GLN 851.A NE2 ASN 804.A OD1 no hydrogen 3.208 N/A SER 853.A OG GLN 850.A OE1 no hydrogen 2.777 N/A TYR 855.A N GLN 850.A O no hydrogen 3.231 N/A TYR 855.A N SER 853.A OG no hydrogen 3.212 N/A LEU 856.A N TRP 868.A O no hydrogen 2.780 N/A TYR 857.A N ASP 848.A O no hydrogen 2.865 N/A TYR 857.A OH GLN 850.A OE1 no hydrogen 2.643 N/A ALA 858.A N THR 866.A O no hydrogen 3.014 N/A SER 859.A N VAL 846.A O no hydrogen 2.993 N/A GLU 861.A N LEU 843.A O no hydrogen 2.871 N/A VAL 865.A N VAL 879.A O no hydrogen 2.642 N/A THR 866.A N ALA 858.A O no hydrogen 2.808 N/A THR 866.A OG1 ALA 858.A O no hydrogen 3.541 N/A LEU 867.A N ARG 877.A O no hydrogen 2.780 N/A TRP 868.A N LEU 856.A O no hydrogen 2.835 N/A ASP 869.A N GLN 874.A O no hydrogen 3.042 N/A LEU 870.A N GLY 854.A O no hydrogen 3.193 N/A GLN 874.A N ASP 869.A O no hydrogen 3.178 N/A GLN 874.A NE2 SER 574.A O no hydrogen 2.947 N/A ARG 877.A N LEU 867.A O no hydrogen 3.482 N/A ARG 877.A NH2 VAL 914.A O no hydrogen 2.774 N/A ARG 877.A NH2 SER 916.A O no hydrogen 2.391 N/A VAL 879.A N VAL 865.A O no hydrogen 2.862 N/A SER 881.A N SER 863.A O no hydrogen 2.863 N/A SER 881.A OG SER 863.A O no hydrogen 2.715 N/A SER 883.A OG CYS 885.A O no hydrogen 3.514 N/A CYS 885.A SG SER 883.A OG no hydrogen 3.312 N/A VAL 887.A N GLY 860.A O no hydrogen 2.720 N/A THR 888.A N GLY 903.A O no hydrogen 3.098 N/A ALA 889.A N GLY 903.A O no hydrogen 3.391 N/A SER 891.A N ALA 901.A O no hydrogen 2.922 N/A ALA 892.A N ASP 848.A OD2 no hydrogen 2.622 N/A SER 893.A N GLN 899.A O no hydrogen 3.261 N/A SER 893.A OG GLN 899.A O no hydrogen 3.506 N/A GLY 898.A N GLN 850.A OE1 no hydrogen 3.000 N/A GLN 899.A N HIS 896.A O no hydrogen 3.337 N/A LEU 900.A N TYR 912.A O no hydrogen 2.907 N/A ALA 901.A N SER 891.A O no hydrogen 2.735 N/A ALA 902.A N ARG 910.A O no hydrogen 3.013 N/A GLY 903.A N ALA 889.A O no hydrogen 2.887 N/A PHE 904.A N SER 908.A O no hydrogen 3.124 N/A ALA 905.A N GLY 886.A O no hydrogen 2.801 N/A GLY 907.A N PHE 904.A O no hydrogen 2.854 N/A SER 908.A N ASP 906.A OD1 no hydrogen 3.201 N/A SER 908.A OG ASP 906.A OD1 no hydrogen 2.790 N/A LEU 909.A N THR 924.A O no hydrogen 2.745 N/A ARG 910.A N ALA 902.A O no hydrogen 2.960 N/A ARG 910.A NH2 SER 908.A OG no hydrogen 2.951 N/A LEU 911.A N CYS 922.A O no hydrogen 2.987 N/A TYR 912.A N LEU 900.A O no hydrogen 2.775 N/A TYR 912.A OH SER 881.A O no hydrogen 2.781 N/A ASP 913.A N PRO 919.A O no hydrogen 2.767 N/A VAL 914.A N GLY 898.A O no hydrogen 3.122 N/A SER 916.A N ASP 913.A O no hydrogen 3.037 N/A SER 916.A OG GLU 918.A O no hydrogen 3.334 N/A SER 916.A OG GLU 918.A OE2 no hydrogen 3.337 N/A GLU 918.A N GLU 918.A OE1 no hydrogen 2.946 N/A VAL 921.A N LEU 911.A O no hydrogen 3.074 N/A THR 924.A N LEU 909.A O no hydrogen 2.795 N/A THR 924.A OG1 ARG 965.A O no hydrogen 3.343 N/A ARG 925.A NH1 ASP 906.A OD2 no hydrogen 3.348 N/A HIS 927.A ND1 HIS 927.A O no hydrogen 2.967 N/A GLN 928.A NE2 GLN 928.A O no hydrogen 3.599 N/A VAL 933.A N PHE 904.A O no hydrogen 3.164 N/A VAL 934.A N ALA 950.A O no hydrogen 3.185 N/A SER 937.A OG PHE 938.A O no hydrogen 3.274 N/A GLN 939.A N ALA 945.A O no hydrogen 3.273 N/A SER 949.A OG HIS 927.A NE2 no hydrogen 3.057 N/A ALA 950.A N GLY 935.A O no hydrogen 3.254 N/A SER 951.A N ASP 955.A O no hydrogen 3.048 N/A SER 951.A OG GLU 931.A O no hydrogen 3.503 N/A GLN 952.A N ARG 932.A O no hydrogen 3.113 N/A GLN 952.A NE2 GLU 931.A OE2 no hydrogen 3.311 N/A ALA 953.A N SER 951.A OG no hydrogen 3.216 N/A GLY 954.A N SER 951.A O no hydrogen 2.950 N/A ILE 956.A N ILE 971.A O no hydrogen 2.837 N/A GLN 957.A N SER 949.A O no hydrogen 2.766 N/A GLN 957.A NE2 ASP 955.A OD2 no hydrogen 3.226 N/A PHE 958.A N LEU 969.A O no hydrogen 2.739 N/A LEU 959.A N LYS 946.A O no hydrogen 2.875 N/A ARG 962.A NE ASP 960.A OD2 no hydrogen 2.912 N/A ARG 962.A NH2 ASP 960.A OD2 no hydrogen 3.005 N/A THR 963.A OG1 ASP 960.A O no hydrogen 3.231 N/A THR 963.A OG1 ASP 960.A OD1 no hydrogen 3.331 N/A THR 963.A OG1 THR 964.A OG1 no hydrogen 2.985 N/A THR 964.A N ASP 960.A O no hydrogen 3.424 N/A THR 964.A OG1 THR 963.A OG1 no hydrogen 2.985 N/A ASP 966.A N ASP 966.A OD1 no hydrogen 2.491 N/A THR 967.A OG1 GLN 957.A OE1 no hydrogen 3.534 N/A THR 970.A OG1 GLN 957.A OE1 no hydrogen 2.503 N/A ILE 971.A N ILE 956.A O no hydrogen 2.811 N/A ALA 973.A N GLY 954.A O no hydrogen 2.915 N/A HIS 974.A N GLY 954.A O no hydrogen 3.306 N/A GLY 976.A N ALA 953.A O no hydrogen 3.114 N/A LEU 978.A N GLN 952.A O no hydrogen 2.814 N/A THR 979.A N GLY 993.A O no hydrogen 3.006 N/A ALA 980.A N GLY 993.A O no hydrogen 3.524 N/A ALA 982.A N ALA 991.A O no hydrogen 2.727 N/A HIS 984.A N ILE 989.A O no hydrogen 3.203 N/A HIS 984.A NE2 GLN 1035.A O no hydrogen 2.744 N/A ARG 985.A NE HIS 986.A NE2 no hydrogen 3.614 N/A ARG 985.A NH1 GLU 805.A OE1 no hydrogen 3.207 N/A ARG 985.A NH1 GLU 805.A OE2 no hydrogen 3.402 N/A HIS 986.A N HIS 984.A ND1 no hydrogen 3.340 N/A ALA 987.A N HIS 984.A ND1 no hydrogen 3.376 N/A ILE 990.A N PHE 1002.A O no hydrogen 2.939 N/A ALA 991.A N ALA 982.A O no hydrogen 2.791 N/A SER 992.A N LYS 1000.A O no hydrogen 2.861 N/A SER 992.A OG HIS 974.A NE2 no hydrogen 3.330 N/A SER 992.A OG LYS 1000.A O no hydrogen 3.486 N/A GLY 993.A N ALA 980.A O no hydrogen 2.822 N/A SER 994.A N LEU 998.A O no hydrogen 2.820 N/A SER 994.A OG SER 977.A O no hydrogen 3.511 N/A ALA 995.A N SER 977.A O no hydrogen 3.071 N/A LYS 996.A N SER 994.A OG no hydrogen 3.003 N/A ILE 999.A N ILE 1012.A O no hydrogen 2.777 N/A LYS 1000.A N SER 992.A O no hydrogen 2.833 N/A LYS 1000.A NZ ALA 973.A O no hydrogen 3.031 N/A VAL 1001.A N GLY 1010.A O no hydrogen 2.760 N/A PHE 1002.A N ILE 990.A O no hydrogen 2.886 N/A SER 1003.A N GLU 1007.A O no hydrogen 2.701 N/A SER 1003.A OG GLN 1005.A OE1 no hydrogen 3.312 N/A SER 1003.A OG GLU 1007.A OE2 no hydrogen 3.569 N/A GLN 1005.A N SER 1003.A OG no hydrogen 2.899 N/A GLY 1006.A N SER 1003.A O no hydrogen 3.151 N/A LEU 1009.A N VAL 1001.A O no hydrogen 2.980 N/A ILE 1012.A N ILE 999.A O no hydrogen 2.689 N/A TYR 1014.A N GLN 997.A O no hydrogen 3.158 N/A TYR 1014.A OH PHE 1046.A O no hydrogen 2.767 N/A SER 1017.A OG ASP 1044.A OD1 no hydrogen 3.231 N/A SER 1017.A OG ASP 1044.A OD2 no hydrogen 2.681 N/A SER 1025.A OG SER 1027.A OG no hydrogen 2.920 N/A SER 1027.A OG SER 1025.A O no hydrogen 2.679 N/A CYS 1028.A N GLY 1041.A O no hydrogen 3.368 N/A THR 1030.A OG1 PHE 1031.A O no hydrogen 3.566 N/A HIS 1032.A N LEU 1037.A O no hydrogen 2.882 N/A TYR 1034.A N HIS 1032.A ND1 no hydrogen 3.065 N/A LEU 1038.A N TYR 1050.A O no hydrogen 3.234 N/A ALA 1040.A N SER 1048.A O no hydrogen 2.726 N/A GLY 1041.A N CYS 1028.A O no hydrogen 2.958 N/A PHE 1046.A N TYR 1014.A OH no hydrogen 2.859 N/A VAL 1047.A N TRP 744.A O no hydrogen 2.763 N/A SER 1048.A N ALA 1040.A O no hydrogen 2.935 N/A SER 1048.A OG ALA 1040.A O no hydrogen 3.217 N/A SER 1048.A OG TYR 1050.A OH no hydrogen 2.900 N/A ILE 1049.A N ALA 742.A O no hydrogen 2.875 N/A TYR 1050.A N LEU 1038.A O no hydrogen 3.384 N/A TYR 1050.A OH SER 1048.A OG no hydrogen 2.900 N/A THR 1051.A OG1 VAL 1036.A O no hydrogen 3.335 N/A HIS 1052.A ND1 SER 734.A O no hydrogen 2.847 N/A