Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1s76_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ASP 2.A OD2 no hydrogen 3.094 N/A ALA 6.A N ILE 3.A O no hydrogen 3.385 N/A ASN 11.A N PRO 9.A O no hydrogen 2.463 N/A THR 12.A OG1 ILE 8.A O no hydrogen 3.531 N/A ALA 14.A N PHE 10.A O no hydrogen 2.822 N/A ASP 15.A N ASN 11.A O no hydrogen 3.263 N/A HIS 16.A N LEU 13.A O no hydrogen 3.002 N/A TYR 17.A N LEU 13.A O no hydrogen 2.389 N/A GLY 18.A N ALA 14.A O no hydrogen 2.572 N/A LEU 21.A N GLY 18.A O no hydrogen 3.127 N/A ALA 22.A N GLY 18.A O no hydrogen 2.938 N/A ARG 23.A N GLU 19.A O no hydrogen 3.170 N/A ARG 23.A NE GLU 19.A OE1 no hydrogen 3.185 N/A GLU 24.A N ARG 20.A O no hydrogen 3.447 N/A GLN 25.A N LEU 21.A O no hydrogen 2.917 N/A GLN 25.A NE2 GLU 29.A OE1 no hydrogen 3.118 N/A LEU 26.A N ALA 22.A O no hydrogen 3.092 N/A ALA 27.A N ARG 23.A O no hydrogen 2.572 N/A LEU 28.A N GLU 24.A O no hydrogen 2.738 N/A GLU 29.A N GLN 25.A O no hydrogen 3.001 N/A HIS 30.A N LEU 26.A O no hydrogen 3.166 N/A GLU 31.A N ALA 27.A O no hydrogen 3.020 N/A SER 32.A N LEU 28.A O no hydrogen 2.772 N/A SER 32.A OG LEU 28.A O no hydrogen 3.183 N/A SER 32.A OG MET 243.A O no hydrogen 3.316 N/A TYR 33.A N GLU 29.A O no hydrogen 3.071 N/A TYR 33.A OH GLY 239.A O no hydrogen 3.382 N/A GLU 34.A N HIS 30.A O no hydrogen 2.859 N/A MET 35.A N GLU 31.A O no hydrogen 2.627 N/A GLY 36.A N SER 32.A O no hydrogen 2.984 N/A GLU 37.A N TYR 33.A O no hydrogen 3.190 N/A ALA 38.A N GLU 34.A O no hydrogen 2.907 N/A ARG 39.A N MET 35.A O no hydrogen 2.805 N/A ARG 39.A NH1 SER 241.A O no hydrogen 2.807 N/A PHE 40.A N GLY 36.A O no hydrogen 2.844 N/A ARG 41.A N GLU 37.A O no hydrogen 2.757 N/A LYS 42.A N ALA 38.A O no hydrogen 2.987 N/A PHE 44.A N PHE 40.A O no hydrogen 2.823 N/A GLU 45.A N ARG 41.A O no hydrogen 2.855 N/A ARG 46.A N LYS 42.A O no hydrogen 3.040 N/A GLN 47.A N MET 43.A O no hydrogen 2.956 N/A LYS 49.A N GLU 45.A O no hydrogen 2.672 N/A ALA 50.A N GLN 47.A O no hydrogen 3.220 N/A GLY 51.A N LEU 48.A O no hydrogen 3.334 N/A ASP 55.A N GLU 52.A O no hydrogen 2.887 N/A ASN 56.A N VAL 53.A O no hydrogen 2.872 N/A ALA 59.A N ASN 56.A O no hydrogen 3.023 N/A LYS 60.A NZ ASP 55.A O no hydrogen 2.436 N/A LEU 62.A N ALA 59.A O no hydrogen 2.566 N/A ILE 63.A N ALA 59.A O no hydrogen 2.922 N/A THR 64.A N LYS 60.A O no hydrogen 3.004 N/A THR 64.A OG1 LYS 60.A O no hydrogen 2.985 N/A THR 65.A N LEU 62.A O no hydrogen 2.650 N/A THR 65.A OG1 PRO 61.A O no hydrogen 3.088 N/A LEU 66.A N LEU 62.A O no hydrogen 2.977 N/A LEU 66.A N ILE 63.A O no hydrogen 2.923 N/A LEU 67.A N ILE 63.A O no hydrogen 2.654 N/A MET 70.A N LEU 66.A O no hydrogen 3.111 N/A ILE 71.A N LEU 67.A O no hydrogen 3.260 N/A ALA 72.A N LYS 69.A O no hydrogen 3.164 N/A ARG 73.A N MET 70.A O no hydrogen 2.547 N/A ILE 74.A N MET 70.A O no hydrogen 2.674 N/A TRP 77.A N ARG 73.A O no hydrogen 3.294 N/A PHE 78.A N ILE 74.A O no hydrogen 3.355 N/A GLU 79.A N ASN 75.A O no hydrogen 3.137 N/A GLU 80.A N ASP 76.A O no hydrogen 3.166 N/A VAL 81.A N TRP 77.A O no hydrogen 2.662 N/A LYS 82.A N PHE 78.A O no hydrogen 2.913 N/A LYS 82.A N GLU 79.A O no hydrogen 3.021 N/A ALA 83.A N GLU 79.A O no hydrogen 3.189 N/A ALA 83.A N GLU 80.A O no hydrogen 3.214 N/A ARG 85.A NH1 LYS 82.A O no hydrogen 3.294 N/A ARG 85.A NH2 LYS 82.A O no hydrogen 3.010 N/A PHE 92.A N PRO 89.A O no hydrogen 2.967 N/A PHE 94.A N THR 90.A O no hydrogen 3.211 N/A VAL 103.A N LYS 99.A O no hydrogen 3.080 N/A TYR 105.A N GLU 101.A O no hydrogen 3.018 N/A ILE 106.A N ALA 102.A O no hydrogen 2.646 N/A THR 107.A N VAL 103.A O no hydrogen 2.875 N/A THR 107.A OG1 VAL 103.A O no hydrogen 2.490 N/A ILE 108.A N ALA 104.A O no hydrogen 2.879 N/A LYS 109.A N TYR 105.A O no hydrogen 2.665 N/A LYS 109.A NZ LEU 698.A O no hydrogen 2.614 N/A THR 110.A N ILE 106.A O no hydrogen 3.106 N/A THR 110.A OG1 ILE 106.A O no hydrogen 2.718 N/A THR 111.A N THR 107.A O no hydrogen 2.715 N/A THR 111.A OG1 THR 107.A O no hydrogen 3.238 N/A THR 111.A OG1 ILE 108.A O no hydrogen 2.580 N/A LEU 112.A N ILE 108.A O no hydrogen 3.136 N/A LEU 112.A N LYS 109.A O no hydrogen 2.973 N/A ALA 113.A N LYS 109.A O no hydrogen 2.905 N/A CYS 114.A N THR 110.A O no hydrogen 3.171 N/A CYS 114.A SG THR 110.A O no hydrogen 3.254 N/A LEU 115.A N LEU 112.A O no hydrogen 3.060 N/A THR 116.A OG1 LEU 112.A O no hydrogen 2.618 N/A THR 116.A OG1 ALA 113.A O no hydrogen 3.301 N/A SER 117.A OG ALA 113.A O no hydrogen 2.984 N/A ALA 118.A N SER 117.A OG no hydrogen 2.700 N/A THR 121.A OG1 ILE 220.A O no hydrogen 2.801 N/A THR 122.A N ASN 120.A O no hydrogen 3.158 N/A THR 122.A OG1 GLU 218.A O no hydrogen 3.160 N/A VAL 123.A N GLU 218.A O no hydrogen 2.770 N/A VAL 126.A N THR 122.A O no hydrogen 2.821 N/A ALA 127.A N VAL 123.A O no hydrogen 2.946 N/A SER 128.A N GLN 124.A O no hydrogen 3.135 N/A SER 128.A OG GLN 124.A O no hydrogen 2.971 N/A SER 128.A OG ALA 125.A O no hydrogen 2.501 N/A ALA 129.A N ALA 125.A O no hydrogen 2.815 N/A ILE 130.A N VAL 126.A O no hydrogen 2.689 N/A GLY 131.A N ALA 127.A O no hydrogen 2.603 N/A ARG 132.A N SER 128.A O no hydrogen 3.018 N/A ALA 133.A N ALA 129.A O no hydrogen 2.754 N/A ILE 134.A N ILE 130.A O no hydrogen 2.494 N/A GLU 135.A N GLY 131.A O no hydrogen 2.855 N/A ASP 136.A N ARG 132.A O no hydrogen 2.958 N/A ALA 138.A N ILE 134.A O no hydrogen 2.949 N/A PHE 140.A N GLU 137.A O no hydrogen 2.617 N/A ASP 145.A N GLY 141.A O no hydrogen 2.532 N/A ALA 148.A N ASP 145.A O no hydrogen 2.775 N/A PHE 151.A N ALA 148.A O no hydrogen 3.117 N/A ASN 154.A N HIS 150.A O no hydrogen 2.928 N/A VAL 155.A N PHE 151.A O no hydrogen 3.182 N/A GLU 156.A N PHE 151.A O no hydrogen 2.477 N/A ASN 160.A N GLU 156.A O no hydrogen 3.338 N/A LYS 161.A N GLN 158.A O no hydrogen 2.510 N/A ARG 162.A N GLN 158.A O no hydrogen 2.864 N/A LYS 168.A N GLY 164.A O no hydrogen 3.138 N/A LYS 168.A NZ ARG 162.A O no hydrogen 2.598 N/A LYS 169.A NZ ASP 136.A OD2 no hydrogen 2.893 N/A PHE 171.A N TYR 167.A O no hydrogen 2.658 N/A MET 172.A N LYS 168.A O no hydrogen 3.276 N/A GLN 173.A N ALA 170.A O no hydrogen 2.933 N/A VAL 174.A N PHE 171.A O no hydrogen 3.017 N/A GLU 176.A N MET 172.A O no hydrogen 3.226 N/A ALA 177.A N GLN 173.A O no hydrogen 3.021 N/A ALA 177.A N VAL 174.A O no hydrogen 2.759 N/A SER 181.A OG LEU 180.A O no hydrogen 2.404 N/A TRP 185.A NE1 GLU 135.A OE1 no hydrogen 3.339 N/A TRP 188.A N GLU 135.A OE1 no hydrogen 3.036 N/A ASP 192.A N HIS 189.A O no hydrogen 3.305 N/A SER 193.A N HIS 189.A O no hydrogen 3.455 N/A SER 193.A OG HIS 189.A O no hydrogen 3.052 N/A VAL 196.A N ASP 192.A O no hydrogen 2.750 N/A GLY 197.A N SER 193.A O no hydrogen 2.786 N/A VAL 198.A N ILE 194.A O no hydrogen 2.663 N/A ARG 199.A N HIS 195.A O no hydrogen 3.099 N/A ARG 199.A NH2 GLU 202.A OE1 no hydrogen 3.560 N/A ARG 199.A NH2 GLU 206.A OE1 no hydrogen 2.634 N/A CYS 200.A N VAL 196.A O no hydrogen 3.403 N/A CYS 200.A SG VAL 196.A O no hydrogen 2.827 N/A ILE 201.A N GLY 197.A O no hydrogen 2.418 N/A GLU 202.A N VAL 198.A O no hydrogen 2.854 N/A SER 207.A OG MET 203.A O no hydrogen 2.462 N/A THR 208.A N SER 207.A OG no hydrogen 2.640 N/A THR 208.A OG1 LEU 204.A O no hydrogen 2.588 N/A GLY 209.A N LEU 204.A O no hydrogen 2.725 N/A MET 210.A N THR 208.A OG1 no hydrogen 3.014 N/A SER 212.A N GLU 221.A O no hydrogen 3.104 N/A GLN 216.A NE2 GLU 218.A OE1 no hydrogen 2.787 N/A THR 219.A OG1 GLU 218.A OE2 no hydrogen 3.481 N/A ILE 220.A N THR 121.A O no hydrogen 2.455 N/A GLU 221.A N SER 212.A O no hydrogen 2.924 N/A ALA 223.A N MET 210.A O no hydrogen 3.409 N/A ALA 229.A N GLU 225.A O no hydrogen 3.255 N/A THR 232.A N ALA 229.A O no hydrogen 3.212 N/A THR 232.A OG1 GLU 228.A O no hydrogen 2.424 N/A ARG 233.A N ALA 229.A O no hydrogen 2.752 N/A ALA 234.A N ILE 230.A O no hydrogen 3.211 N/A GLY 235.A N ALA 231.A O no hydrogen 3.417 N/A ALA 236.A N THR 232.A O no hydrogen 2.961 N/A LEU 237.A N ARG 233.A O no hydrogen 2.893 N/A ALA 238.A N ALA 234.A O no hydrogen 2.702 N/A GLY 239.A N ALA 236.A O no hydrogen 3.105 N/A MET 243.A N SER 32.A O no hydrogen 3.003 N/A PHE 244.A N PRO 242.A O no hydrogen 2.898 N/A CYS 247.A N TRP 379.A O no hydrogen 2.666 N/A VAL 248.A N GLN 25.A OE1 no hydrogen 3.025 N/A LYS 252.A N GLY 261.A O no hydrogen 2.698 N/A TRP 254.A NE1 GLN 300.A OE1 no hydrogen 3.177 N/A GLY 259.A N LEU 270.A O no hydrogen 2.929 N/A GLY 261.A N LYS 252.A O no hydrogen 3.032 N/A TYR 262.A OH GLN 245.A O no hydrogen 3.052 N/A TRP 263.A N GLU 29.A OE1 no hydrogen 2.484 N/A TRP 263.A NE1 PRO 250.A O no hydrogen 3.223 N/A ALA 264.A N GLU 29.A OE1 no hydrogen 3.023 N/A ALA 264.A N GLU 29.A OE2 no hydrogen 2.753 N/A LEU 272.A N ILE 257.A O no hydrogen 2.804 N/A ARG 274.A N MET 384.A O no hydrogen 2.506 N/A ARG 274.A NH2 ALA 392.A O no hydrogen 3.200 N/A THR 275.A N VAL 273.A O no hydrogen 2.778 N/A ALA 280.A N SER 277.A OG no hydrogen 2.954 N/A LEU 281.A N SER 277.A O no hydrogen 3.227 N/A MET 282.A N LYS 278.A O no hydrogen 2.919 N/A ARG 283.A N LYS 279.A O no hydrogen 3.194 N/A ARG 283.A NH1 GLU 684.A OE1 no hydrogen 3.232 N/A ARG 283.A NH2 GLU 684.A OE1 no hydrogen 2.494 N/A TYR 284.A N LEU 281.A O no hydrogen 2.796 N/A TYR 284.A OH PRO 680.A O no hydrogen 2.810 N/A GLU 285.A N MET 282.A O no hydrogen 2.843 N/A VAL 287.A N TYR 284.A O no hydrogen 2.976 N/A VAL 292.A N MET 289.A O no hydrogen 2.979 N/A TYR 293.A N MET 289.A O no hydrogen 3.238 N/A LYS 294.A N PRO 290.A O no hydrogen 2.995 N/A LYS 294.A NZ GLU 291.A OE1 no hydrogen 2.916 N/A LYS 294.A NZ GLU 291.A OE2 no hydrogen 3.076 N/A ALA 295.A N GLU 291.A O no hydrogen 3.130 N/A ILE 296.A N VAL 292.A O no hydrogen 3.211 N/A ASN 297.A N TYR 293.A O no hydrogen 3.137 N/A ILE 298.A N LYS 294.A O no hydrogen 2.779 N/A ALA 299.A N ALA 295.A O no hydrogen 2.735 N/A GLN 300.A N ILE 296.A O no hydrogen 3.071 N/A GLN 300.A N ASN 297.A O no hydrogen 2.798 N/A GLN 300.A NE2 LYS 252.A O no hydrogen 3.245 N/A ASN 301.A N ASN 297.A O no hydrogen 3.105 N/A ASN 301.A N ILE 298.A O no hydrogen 3.022 N/A THR 302.A OG1 ALA 299.A O no hydrogen 3.110 N/A THR 302.A OG1 GLU 751.A O no hydrogen 3.406 N/A TRP 304.A N ILE 378.A O no hydrogen 2.660 N/A LYS 305.A N THR 409.A O no hydrogen 2.846 N/A ASN 307.A N LEU 407.A O no hydrogen 2.989 N/A LYS 308.A NZ ASN 374.A OD1 no hydrogen 2.912 N/A VAL 310.A N ASN 307.A OD1 no hydrogen 2.857 N/A LEU 311.A N ASN 307.A O no hydrogen 2.785 N/A ALA 312.A N LYS 308.A O no hydrogen 2.796 N/A VAL 313.A N LYS 309.A O no hydrogen 3.401 N/A ALA 314.A N VAL 310.A O no hydrogen 3.127 N/A ASN 315.A N LEU 311.A O no hydrogen 2.794 N/A ASN 315.A ND2 ASN 370.A OD1 no hydrogen 2.689 N/A ILE 317.A N VAL 313.A O no hydrogen 2.854 N/A THR 318.A N ALA 314.A O no hydrogen 3.154 N/A THR 318.A OG1 ALA 314.A O no hydrogen 2.662 N/A THR 318.A OG1 ASN 315.A O no hydrogen 3.287 N/A LYS 319.A N VAL 316.A O no hydrogen 2.972 N/A TRP 320.A N VAL 316.A O no hydrogen 3.444 N/A CYS 323.A SG ILE 317.A O no hydrogen 3.269 N/A ILE 328.A N VAL 325.A O no hydrogen 3.070 N/A ARG 333.A N GLU 332.A OE1 no hydrogen 3.348 N/A THR 339.A OG1 THR 339.A O no hydrogen 2.331 N/A ARG 343.A N ALA 340.A O no hydrogen 2.922 N/A ARG 343.A NE ARG 343.A O no hydrogen 2.987 N/A ALA 344.A N TRP 341.A O no hydrogen 3.037 N/A ALA 345.A N TRP 341.A O no hydrogen 3.409 N/A LYS 351.A N ALA 347.A O no hydrogen 2.777 N/A LYS 351.A NZ ASP 606.A O no hydrogen 2.846 N/A ASP 352.A N VAL 348.A O no hydrogen 3.005 N/A ASP 352.A N TYR 349.A O no hydrogen 2.884 N/A LYS 353.A N TYR 349.A O no hydrogen 3.153 N/A LYS 353.A N ARG 350.A O no hydrogen 3.026 N/A ALA 354.A N ARG 350.A O no hydrogen 3.221 N/A ARG 355.A N LYS 351.A O no hydrogen 3.373 N/A ARG 355.A NE ALA 330.A O no hydrogen 3.144 N/A ARG 355.A NE GLU 332.A O no hydrogen 2.778 N/A ARG 355.A NH2 ILE 331.A O no hydrogen 2.812 N/A LYS 356.A N ASP 352.A O no hydrogen 2.816 N/A SER 357.A N LYS 353.A O no hydrogen 3.290 N/A ARG 358.A N ALA 354.A O no hydrogen 2.742 N/A ARG 359.A N ARG 355.A O no hydrogen 2.638 N/A ARG 359.A NE GLU 363.A OE1 no hydrogen 3.531 N/A ARG 359.A NH1 THR 318.A O no hydrogen 3.064 N/A ARG 359.A NH1 PRO 329.A O no hydrogen 2.480 N/A ARG 359.A NH2 THR 318.A O no hydrogen 2.779 N/A ILE 360.A N LYS 356.A O no hydrogen 3.169 N/A SER 361.A OG ARG 358.A O no hydrogen 3.149 N/A LEU 362.A N ARG 358.A O no hydrogen 3.309 N/A GLU 363.A N ARG 359.A O no hydrogen 3.031 N/A PHE 364.A N ILE 360.A O no hydrogen 2.965 N/A MET 365.A N SER 361.A O no hydrogen 2.675 N/A LEU 366.A N LEU 362.A O no hydrogen 3.008 N/A GLU 367.A N GLU 363.A O no hydrogen 2.913 N/A GLN 368.A N PHE 364.A O no hydrogen 2.912 N/A GLN 368.A NE2 GLN 245.A OE1 no hydrogen 2.979 N/A ALA 369.A N MET 365.A O no hydrogen 2.926 N/A ASN 370.A N LEU 366.A O no hydrogen 3.129 N/A ASN 370.A ND2 ASN 315.A OD1 no hydrogen 2.517 N/A ASN 370.A ND2 LEU 366.A O no hydrogen 3.070 N/A LYS 371.A N GLU 367.A O no hydrogen 2.868 N/A LYS 371.A NZ GLU 31.A OE1 no hydrogen 2.921 N/A LYS 371.A NZ GLU 31.A OE2 no hydrogen 3.133 N/A LYS 371.A NZ GLN 245.A OE1 no hydrogen 2.702 N/A PHE 372.A N GLN 368.A O no hydrogen 2.798 N/A ALA 373.A N ASN 370.A O no hydrogen 3.337 N/A HIS 375.A N PHE 372.A O no hydrogen 3.468 N/A HIS 375.A NE2 GLU 24.A OE1 no hydrogen 3.145 N/A HIS 375.A NE2 GLU 24.A OE2 no hydrogen 2.728 N/A ILE 378.A N TRP 304.A O no hydrogen 2.476 N/A TRP 379.A N CYS 247.A O no hydrogen 2.888 N/A TYR 382.A N GLN 300.A OE1 no hydrogen 3.074 N/A ASN 383.A N TYR 391.A O no hydrogen 3.239 N/A MET 384.A N LEU 272.A O no hydrogen 2.744 N/A ASP 385.A N ARG 389.A O no hydrogen 3.229 N/A ARG 387.A N ASP 385.A OD2 no hydrogen 2.983 N/A ARG 387.A NH1 ASP 385.A OD1 no hydrogen 2.374 N/A ARG 389.A NH1 ASP 733.A OD1 no hydrogen 3.473 N/A TYR 391.A N ASN 383.A O no hydrogen 2.986 N/A TYR 391.A OH ASP 385.A OD1 no hydrogen 2.663 N/A VAL 393.A N PRO 381.A O no hydrogen 2.846 N/A SER 394.A OG PHE 396.A O no hydrogen 2.685 N/A GLY 400.A N ASN 397.A O no hydrogen 2.980 N/A THR 404.A N ASN 401.A OD1 no hydrogen 2.869 N/A THR 404.A OG1 ASN 401.A OD1 no hydrogen 2.494 N/A LYS 405.A N ASN 401.A O no hydrogen 2.910 N/A GLY 406.A N ASP 402.A O no hydrogen 2.712 N/A LEU 407.A N MET 403.A O no hydrogen 2.730 N/A LEU 408.A N LYS 405.A O no hydrogen 3.188 N/A THR 409.A N LYS 305.A O no hydrogen 3.094 N/A THR 409.A OG1 LEU 410.A O no hydrogen 3.498 N/A THR 409.A OG1 SER 495.A O no hydrogen 3.017 N/A THR 409.A OG1 SER 495.A OG no hydrogen 3.079 N/A LEU 410.A N SER 495.A O no hydrogen 3.044 N/A ALA 411.A N ALA 303.A O no hydrogen 2.716 N/A LYS 414.A N CYS 494.A O no hydrogen 3.245 N/A LYS 414.A NZ ASP 766.A OD1 no hydrogen 2.738 N/A LYS 414.A NZ ASP 766.A OD2 no hydrogen 3.203 N/A ILE 416.A N TYR 492.A O no hydrogen 2.594 N/A GLY 417.A N LEU 490.A O no hydrogen 2.821 N/A GLU 419.A N GLU 419.A OE1 no hydrogen 2.488 N/A TYR 421.A N GLY 417.A O no hydrogen 2.877 N/A TYR 422.A N LYS 418.A O no hydrogen 2.958 N/A TRP 423.A N GLU 419.A O no hydrogen 2.644 N/A LYS 425.A N TYR 421.A O no hydrogen 3.302 N/A LYS 425.A N TYR 422.A O no hydrogen 2.845 N/A ILE 426.A N TYR 422.A O no hydrogen 3.181 N/A GLY 428.A N LEU 424.A O no hydrogen 2.583 N/A ALA 429.A N LYS 425.A O no hydrogen 2.729 N/A ASN 430.A N ILE 426.A O no hydrogen 2.902 N/A ASN 430.A ND2 VAL 434.A O no hydrogen 3.534 N/A CYS 431.A N HIS 427.A O no hydrogen 2.777 N/A CYS 431.A SG HIS 427.A O no hydrogen 3.343 N/A ALA 432.A N GLY 428.A O no hydrogen 3.017 N/A GLY 433.A N ASN 430.A O no hydrogen 3.030 N/A ASP 435.A N GLY 433.A O no hydrogen 2.706 N/A LYS 436.A NZ ASP 435.A OD1 no hydrogen 3.018 N/A GLU 441.A N PRO 438.A O no hydrogen 3.155 N/A ARG 442.A N PHE 439.A O no hydrogen 2.983 N/A ARG 442.A NE VAL 437.A O no hydrogen 2.734 N/A ARG 442.A NH2 VAL 437.A O no hydrogen 3.143 N/A ILE 443.A N PHE 439.A O no hydrogen 3.163 N/A LYS 444.A N PRO 440.A O no hydrogen 3.172 N/A PHE 445.A N GLU 441.A O no hydrogen 3.222 N/A ILE 446.A N ARG 442.A O no hydrogen 3.043 N/A GLU 447.A N ILE 443.A O no hydrogen 2.797 N/A GLU 448.A N LYS 444.A O no hydrogen 2.680 N/A ASN 449.A N ILE 446.A O no hydrogen 3.059 N/A ASN 449.A ND2 ASN 452.A OD1 no hydrogen 3.224 N/A HIS 450.A N GLU 447.A O no hydrogen 2.955 N/A HIS 450.A ND1 TYR 482.A OH no hydrogen 2.527 N/A ILE 453.A N ASN 449.A O no hydrogen 3.155 N/A MET 454.A N HIS 450.A O no hydrogen 3.045 N/A ALA 455.A N GLU 451.A O no hydrogen 2.955 N/A CYS 456.A N ASN 452.A O no hydrogen 2.974 N/A CYS 456.A SG ASN 452.A O no hydrogen 3.036 N/A CYS 456.A SG ASN 463.A O no hydrogen 3.293 N/A CYS 456.A SG THR 464.A O no hydrogen 2.967 N/A ALA 457.A N ILE 453.A O no hydrogen 2.938 N/A LYS 458.A N MET 454.A O no hydrogen 2.736 N/A LYS 458.A N ALA 455.A O no hydrogen 2.846 N/A SER 459.A N ALA 455.A O no hydrogen 2.857 N/A ASN 463.A N SER 459.A O no hydrogen 2.303 N/A TRP 466.A NE1 PRO 460.A O no hydrogen 3.058 N/A GLU 468.A N TRP 465.A O no hydrogen 2.733 N/A GLN 469.A NE2 TRP 465.A O no hydrogen 2.992 N/A ASP 470.A N ASP 470.A OD2 no hydrogen 2.426 N/A SER 471.A N CYS 431.A O no hydrogen 2.714 N/A PHE 473.A N ASP 402.A OD2 no hydrogen 3.221 N/A CYS 474.A N ASP 402.A OD1 no hydrogen 3.402 N/A CYS 474.A SG ASP 402.A O no hydrogen 3.690 N/A CYS 474.A SG ASP 402.A OD1 no hydrogen 3.503 N/A PHE 475.A N SER 471.A O no hydrogen 2.794 N/A LEU 476.A N PRO 472.A O no hydrogen 2.679 N/A ALA 477.A N PHE 473.A O no hydrogen 2.750 N/A PHE 478.A N CYS 474.A O no hydrogen 2.839 N/A CYS 479.A N PHE 475.A O no hydrogen 2.709 N/A CYS 479.A SG PHE 475.A O no hydrogen 3.552 N/A PHE 480.A N LEU 476.A O no hydrogen 3.030 N/A GLU 481.A N ALA 477.A O no hydrogen 3.513 N/A TYR 482.A N PHE 478.A O no hydrogen 2.770 N/A TYR 482.A OH HIS 450.A ND1 no hydrogen 2.527 N/A ALA 483.A N CYS 479.A O no hydrogen 2.932 N/A GLY 484.A N PHE 480.A O no hydrogen 2.966 N/A VAL 485.A N GLU 481.A O no hydrogen 2.922 N/A GLN 486.A N TYR 482.A O no hydrogen 3.141 N/A HIS 487.A N ALA 483.A O no hydrogen 2.955 N/A HIS 488.A N GLY 484.A O no hydrogen 2.762 N/A GLY 489.A N VAL 485.A O no hydrogen 2.526 N/A TYR 492.A N GLY 489.A O no hydrogen 2.947 N/A TYR 492.A OH GLU 481.A OE1 no hydrogen 2.860 N/A TYR 492.A OH GLU 481.A OE2 no hydrogen 3.379 N/A CYS 494.A N LYS 414.A O no hydrogen 2.865 N/A CYS 494.A SG GLU 481.A OE1 no hydrogen 3.513 N/A SER 495.A OG THR 409.A OG1 no hydrogen 3.079 N/A SER 495.A OG LEU 410.A O no hydrogen 2.596 N/A LEU 498.A N THR 762.A O no hydrogen 2.469 N/A PHE 500.A N PHE 760.A O no hydrogen 2.592 N/A GLY 502.A N ASP 758.A O no hydrogen 3.128 N/A CYS 504.A SG TYR 535.A OH no hydrogen 3.810 N/A SER 505.A OG ASP 758.A OD1 no hydrogen 3.032 N/A GLN 508.A N CYS 504.A O no hydrogen 3.136 N/A HIS 509.A N SER 505.A O no hydrogen 2.811 N/A HIS 509.A ND1 TYR 782.A OH no hydrogen 2.556 N/A PHE 510.A N GLY 506.A O no hydrogen 3.126 N/A SER 511.A N ILE 507.A O no hydrogen 2.596 N/A SER 511.A OG ILE 507.A O no hydrogen 2.698 N/A ALA 512.A N GLN 508.A O no hydrogen 2.688 N/A MET 513.A N HIS 509.A O no hydrogen 3.127 N/A ARG 515.A N ALA 512.A O no hydrogen 3.204 N/A ARG 515.A NH2 TYR 782.A O no hydrogen 3.224 N/A ASP 516.A N SER 511.A O no hydrogen 2.776 N/A GLY 519.A N ASP 516.A OD2 no hydrogen 3.131 N/A GLY 520.A N ASP 516.A O no hydrogen 2.843 N/A ARG 521.A N GLU 517.A O no hydrogen 2.661 N/A ALA 522.A N VAL 518.A O no hydrogen 2.989 N/A VAL 523.A N GLY 519.A O no hydrogen 2.870 N/A ASN 524.A N ARG 521.A O no hydrogen 3.124 N/A ASN 524.A ND2 SER 503.A OG no hydrogen 2.566 N/A ASN 524.A ND2 GLN 532.A O no hydrogen 2.837 N/A LEU 525.A N GLY 520.A O no hydrogen 2.633 N/A SER 528.A OG THR 530.A O no hydrogen 2.625 N/A SER 528.A OG GLN 532.A OE1 no hydrogen 3.221 N/A THR 530.A N GLU 529.A OE2 no hydrogen 2.600 N/A GLN 532.A N ASN 524.A OD1 no hydrogen 2.505 N/A TYR 535.A N ASP 533.A OD2 no hydrogen 3.281 N/A ILE 537.A N ASP 533.A O no hydrogen 2.810 N/A VAL 538.A N ILE 534.A O no hydrogen 3.104 N/A ALA 539.A N TYR 535.A O no hydrogen 2.797 N/A LYS 540.A N GLY 536.A O no hydrogen 2.697 N/A LYS 540.A NZ ASN 543.A OD1 no hydrogen 3.479 N/A LYS 541.A N ILE 537.A O no hydrogen 3.198 N/A LYS 541.A NZ GLU 544.A OE1 no hydrogen 2.885 N/A LYS 541.A NZ GLU 544.A OE2 no hydrogen 3.177 N/A VAL 542.A N VAL 538.A O no hydrogen 2.945 N/A ASN 543.A N ALA 539.A O no hydrogen 3.133 N/A GLU 544.A N LYS 540.A O no hydrogen 3.154 N/A ILE 545.A N LYS 541.A O no hydrogen 3.351 N/A LEU 546.A N VAL 542.A O no hydrogen 2.934 N/A GLN 547.A N ASN 543.A O no hydrogen 2.566 N/A ALA 548.A N GLU 544.A O no hydrogen 3.123 N/A ALA 548.A N ILE 545.A O no hydrogen 2.862 N/A ASN 552.A ND2 TYR 622.A OH no hydrogen 3.114 N/A THR 559.A N THR 554.A OG1 no hydrogen 3.360 N/A THR 559.A OG1 ASN 552.A O no hydrogen 3.382 N/A LEU 562.A N THR 559.A O no hydrogen 2.353 N/A GLY 564.A N LYS 560.A O no hydrogen 2.820 N/A GLN 565.A N ALA 561.A O no hydrogen 3.012 N/A GLN 565.A NE2 THR 614.A OG1 no hydrogen 3.201 N/A TRP 566.A N LEU 562.A O no hydrogen 3.378 N/A TRP 566.A NE1 ALA 619.A O no hydrogen 2.597 N/A LEU 567.A N ALA 563.A O no hydrogen 2.769 N/A ALA 568.A N GLY 564.A O no hydrogen 2.878 N/A TYR 569.A N GLN 565.A O no hydrogen 3.090 N/A GLY 570.A N TRP 566.A O no hydrogen 2.676 N/A THR 572.A OG1 SER 574.A OG no hydrogen 3.353 N/A ARG 573.A NE ASP 533.A OD1 no hydrogen 2.437 N/A ARG 573.A NH2 ASP 533.A OD2 no hydrogen 2.966 N/A SER 574.A OG THR 572.A OG1 no hydrogen 3.353 N/A VAL 575.A N THR 572.A O no hydrogen 3.134 N/A THR 576.A OG1 VAL 575.A O no hydrogen 2.601 N/A LYS 577.A N VAL 575.A O no hydrogen 2.362 N/A ARG 578.A NH1 ASP 599.A OD2 no hydrogen 3.528 N/A VAL 580.A N THR 576.A O no hydrogen 2.745 N/A VAL 580.A N LYS 577.A O no hydrogen 2.856 N/A MET 581.A N LYS 577.A O no hydrogen 3.207 N/A THR 582.A N ARG 578.A O no hydrogen 3.230 N/A THR 582.A OG1 ARG 578.A O no hydrogen 2.748 N/A TYR 585.A N THR 582.A O no hydrogen 2.854 N/A GLY 586.A N LEU 583.A O no hydrogen 2.978 N/A SER 587.A N THR 582.A O no hydrogen 3.052 N/A SER 587.A OG GLN 595.A OE1 no hydrogen 3.323 N/A LYS 588.A NZ GLY 586.A O no hydrogen 3.153 N/A PHE 592.A N LYS 588.A O no hydrogen 3.068 N/A ARG 593.A N GLU 589.A O no hydrogen 3.235 N/A GLN 594.A N PHE 590.A O no hydrogen 3.499 N/A GLN 594.A NE2 GLU 598.A OE1 no hydrogen 3.544 N/A GLN 595.A N GLY 591.A O no hydrogen 2.963 N/A VAL 596.A N PHE 592.A O no hydrogen 2.715 N/A LEU 597.A N ARG 593.A O no hydrogen 2.992 N/A GLU 598.A N GLN 594.A O no hydrogen 2.691 N/A ASP 599.A N GLN 595.A O no hydrogen 2.492 N/A THR 600.A N VAL 596.A O no hydrogen 2.908 N/A ILE 601.A N VAL 596.A O no hydrogen 3.069 N/A GLN 602.A N LEU 597.A O no hydrogen 2.557 N/A ALA 604.A N THR 600.A O no hydrogen 3.041 N/A ILE 605.A N ILE 601.A O no hydrogen 2.652 N/A SER 607.A OG PRO 603.A O no hydrogen 3.230 N/A SER 607.A OG ALA 604.A O no hydrogen 2.827 N/A GLY 608.A N ILE 605.A O no hydrogen 3.115 N/A LYS 609.A NZ SER 607.A O no hydrogen 2.676 N/A THR 614.A OG1 PHE 613.A O no hydrogen 2.713 N/A THR 614.A OG1 THR 614.A O no hydrogen 2.597 N/A TYR 622.A N GLN 618.A O no hydrogen 2.735 N/A ALA 624.A N ALA 620.A O no hydrogen 2.776 N/A LYS 625.A N GLY 621.A O no hydrogen 3.209 N/A LYS 625.A N TYR 622.A O no hydrogen 2.977 N/A LEU 626.A N TYR 622.A O no hydrogen 3.385 N/A ILE 627.A N MET 623.A O no hydrogen 2.913 N/A TRP 628.A N ALA 624.A O no hydrogen 3.168 N/A GLU 629.A N LYS 625.A O no hydrogen 2.962 N/A SER 630.A N LEU 626.A O no hydrogen 2.724 N/A SER 630.A OG LEU 626.A O no hydrogen 2.606 N/A VAL 631.A N ILE 627.A O no hydrogen 2.710 N/A SER 632.A N TRP 628.A O no hydrogen 2.592 N/A SER 632.A OG TRP 628.A O no hydrogen 2.745 N/A SER 632.A OG GLU 629.A O no hydrogen 2.768 N/A VAL 633.A N GLU 629.A O no hydrogen 3.250 N/A THR 634.A N VAL 631.A O no hydrogen 2.844 N/A THR 634.A OG1 SER 630.A O no hydrogen 2.724 N/A VAL 635.A N VAL 631.A O no hydrogen 2.853 N/A GLU 640.A N VAL 636.A O no hydrogen 2.936 N/A ALA 641.A N ALA 637.A O no hydrogen 2.667 N/A MET 642.A N ALA 638.A O no hydrogen 2.712 N/A ASN 643.A N VAL 639.A O no hydrogen 2.786 N/A TRP 644.A N GLU 640.A O no hydrogen 3.114 N/A LEU 645.A N ALA 641.A O no hydrogen 3.177 N/A LYS 646.A N MET 642.A O no hydrogen 2.939 N/A SER 647.A N ASN 643.A O no hydrogen 3.068 N/A SER 647.A OG ASN 643.A O no hydrogen 3.120 N/A ALA 648.A N TRP 644.A O no hydrogen 3.417 N/A ALA 649.A N LEU 645.A O no hydrogen 3.037 N/A LYS 650.A N LYS 646.A O no hydrogen 2.646 N/A LEU 651.A N SER 647.A O no hydrogen 2.769 N/A LEU 652.A N ALA 648.A O no hydrogen 2.991 N/A ALA 653.A N ALA 649.A O no hydrogen 2.767 N/A ALA 654.A N LYS 650.A O no hydrogen 2.859 N/A ASP 658.A N GLU 663.A O no hydrogen 3.079 N/A LYS 660.A N ASP 658.A OD1 no hydrogen 2.805 N/A LEU 665.A N VAL 656.A O no hydrogen 2.876 N/A ARG 666.A N VAL 656.A O no hydrogen 3.347 N/A ARG 666.A NH2 ALA 654.A O no hydrogen 3.393 N/A ARG 668.A NH1 ALA 653.A O no hydrogen 2.776 N/A CYS 669.A N LEU 652.A O no hydrogen 3.010 N/A CYS 669.A SG LEU 652.A O no hydrogen 3.283 N/A CYS 669.A SG LYS 667.A O no hydrogen 3.540 N/A VAL 671.A N GLN 683.A O no hydrogen 3.001 N/A TRP 673.A N VAL 681.A O no hydrogen 3.242 N/A TRP 673.A NE1 SER 731.A OG no hydrogen 2.770 N/A THR 675.A N PHE 679.A O no hydrogen 2.720 N/A THR 675.A OG1 ASP 677.A OD1 no hydrogen 2.736 N/A THR 675.A OG1 PHE 679.A O no hydrogen 2.836 N/A ASP 677.A N SER 735.A OG no hydrogen 3.119 N/A GLY 678.A N THR 675.A O no hydrogen 2.851 N/A PHE 679.A N THR 675.A OG1 no hydrogen 2.890 N/A PHE 679.A N ASP 677.A OD1 no hydrogen 2.894 N/A VAL 681.A N TRP 673.A O no hydrogen 2.767 N/A GLN 683.A N VAL 671.A O no hydrogen 3.050 N/A GLN 683.A NE2 ASN 727.A OD1 no hydrogen 2.689 N/A TYR 685.A N GLN 720.A OE1 no hydrogen 2.619 N/A TYR 685.A OH ASN 727.A OD1 no hydrogen 2.858 N/A LYS 687.A N GLU 714.A O no hydrogen 2.716 N/A GLN 690.A NE2 GLN 704.A OE1 no hydrogen 3.485 N/A LEU 693.A N PHE 701.A O no hydrogen 3.208 N/A LEU 695.A N GLY 699.A O no hydrogen 3.161 N/A PHE 697.A N LEU 695.A O no hydrogen 2.645 N/A THR 709.A OG1 ASN 708.A O no hydrogen 2.488 N/A ASP 716.A N TYR 685.A O no hydrogen 2.976 N/A LYS 719.A N ASP 716.A OD1 no hydrogen 2.553 N/A GLN 720.A N ASP 716.A O no hydrogen 3.005 N/A GLN 720.A NE2 GLN 683.A O no hydrogen 2.580 N/A GLU 721.A N HIS 718.A O no hydrogen 3.067 N/A SER 722.A N HIS 718.A O no hydrogen 3.094 N/A SER 722.A OG LYS 719.A O no hydrogen 3.331 N/A GLY 723.A N LYS 719.A O no hydrogen 2.824 N/A ASN 727.A N GLY 723.A O no hydrogen 2.794 N/A PHE 728.A N ILE 724.A O no hydrogen 2.972 N/A VAL 729.A N ALA 725.A O no hydrogen 3.316 N/A HIS 730.A N PRO 726.A O no hydrogen 3.109 N/A SER 731.A N ASN 727.A O no hydrogen 3.072 N/A SER 731.A OG PHE 728.A O no hydrogen 2.817 N/A GLN 732.A N VAL 729.A O no hydrogen 2.723 N/A ASP 733.A N VAL 729.A O no hydrogen 2.811 N/A GLY 734.A N HIS 730.A O no hydrogen 2.845 N/A HIS 736.A N GLN 732.A O no hydrogen 3.062 N/A HIS 736.A NE2 ALA 829.A OXT no hydrogen 2.703 N/A LEU 737.A N ASP 733.A O no hydrogen 2.469 N/A ARG 738.A N GLY 734.A O no hydrogen 2.809 N/A ARG 738.A NE ASP 677.A OD2 no hydrogen 2.434 N/A ARG 738.A NH2 ASP 677.A OD1 no hydrogen 3.029 N/A LYS 739.A N SER 735.A O no hydrogen 2.613 N/A THR 740.A N HIS 736.A O no hydrogen 3.080 N/A THR 740.A OG1 HIS 736.A O no hydrogen 2.802 N/A VAL 741.A N LEU 737.A O no hydrogen 3.145 N/A VAL 742.A N ARG 738.A O no hydrogen 3.113 N/A TRP 743.A N LYS 739.A O no hydrogen 2.894 N/A ALA 744.A N THR 740.A O no hydrogen 2.679 N/A HIS 745.A N VAL 741.A O no hydrogen 3.102 N/A GLU 746.A N VAL 742.A O no hydrogen 2.941 N/A LYS 747.A N TRP 743.A O no hydrogen 2.978 N/A TYR 748.A N ALA 744.A O no hydrogen 3.038 N/A TYR 748.A OH GLU 776.A OE1 no hydrogen 2.567 N/A ILE 750.A N ALA 744.A O no hydrogen 3.298 N/A PHE 753.A N THR 302.A OG1 no hydrogen 3.174 N/A ALA 754.A N GLY 761.A O no hydrogen 2.706 N/A ILE 756.A N SER 759.A O no hydrogen 2.967 N/A ASP 758.A N ILE 756.A O no hydrogen 2.947 N/A PHE 760.A N PHE 500.A O no hydrogen 2.596 N/A THR 762.A N LEU 498.A O no hydrogen 3.396 N/A ASP 766.A N ILE 763.A O no hydrogen 2.797 N/A ALA 767.A N PRO 764.A O no hydrogen 3.286 N/A LEU 770.A N ASP 766.A O no hydrogen 3.023 N/A PHE 771.A N ALA 767.A O no hydrogen 2.768 N/A LYS 772.A N ALA 768.A O no hydrogen 3.230 N/A ALA 773.A N ASN 769.A O no hydrogen 2.679 N/A VAL 774.A N LEU 770.A O no hydrogen 2.904 N/A ARG 775.A NE SER 824.A O no hydrogen 2.924 N/A ARG 775.A NH1 PHE 771.A O no hydrogen 2.521 N/A ARG 775.A NH2 SER 824.A O no hydrogen 3.000 N/A GLU 776.A N LYS 772.A O no hydrogen 2.951 N/A THR 777.A N ALA 773.A O no hydrogen 3.041 N/A VAL 779.A N ARG 775.A O no hydrogen 2.701 N/A ASP 780.A N GLU 776.A O no hydrogen 2.843 N/A THR 781.A N THR 777.A O no hydrogen 2.925 N/A THR 781.A OG1 THR 777.A O no hydrogen 2.831 N/A TYR 782.A N MET 778.A O no hydrogen 3.297 N/A TYR 782.A OH HIS 509.A ND1 no hydrogen 2.556 N/A SER 784.A N ASP 780.A O no hydrogen 3.019 N/A SER 784.A OG ASP 780.A O no hydrogen 2.763 N/A CYS 785.A N THR 781.A O no hydrogen 3.310 N/A CYS 785.A SG THR 781.A O no hydrogen 3.261 N/A LEU 788.A N ASP 786.A OD2 no hydrogen 3.281 N/A ALA 789.A N ASP 786.A OD2 no hydrogen 3.301 N/A ASP 790.A N ASP 786.A O no hydrogen 2.688 N/A PHE 791.A N VAL 787.A O no hydrogen 3.204 N/A TYR 792.A N LEU 788.A O no hydrogen 3.009 N/A ASP 793.A N ALA 789.A O no hydrogen 3.063 N/A GLN 794.A N PHE 791.A O no hydrogen 2.871 N/A PHE 795.A N TYR 792.A O no hydrogen 2.900 N/A ALA 796.A N TYR 792.A O no hydrogen 2.648 N/A GLN 798.A NE2 PHE 795.A O no hydrogen 3.294 N/A GLN 803.A N GLU 801.A OE1 no hydrogen 2.753 N/A GLN 803.A N GLU 801.A OE2 no hydrogen 3.017 N/A LYS 806.A NZ GLN 803.A O no hydrogen 2.670 N/A LYS 813.A NZ ASP 786.A OD1 no hydrogen 2.539 N/A GLY 814.A N LEU 514.A O no hydrogen 2.545 N/A LEU 816.A N ARG 515.A O no hydrogen 2.789 N/A ASP 820.A N ASN 817.A O no hydrogen 2.651 N/A ILE 821.A N LEU 818.A O no hydrogen 2.796 N/A LEU 822.A N ARG 819.A O no hydrogen 3.268 N/A GLU 823.A N ASP 820.A O no hydrogen 2.492 N/A SER 824.A N ILE 821.A O no hydrogen 3.016 N/A SER 824.A OG ASN 524.A O no hydrogen 2.395 N/A SER 824.A OG LEU 526.A O no hydrogen 3.556 N/A ALA 827.A N SER 824.A OG no hydrogen 3.271 N/A