Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4a0a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLN 638.A OE1 no hydrogen 3.539 N/A SER 2.A OG VAL 652.A O no hydrogen 2.629 N/A ASN 4.A N GLY 737.A O no hydrogen 3.288 N/A ASN 4.A ND2 GLY 737.A O no hydrogen 3.359 N/A TYR 5.A N THR 691.A O no hydrogen 3.066 N/A VAL 6.A N ILE 739.A O no hydrogen 2.933 N/A VAL 7.A N LEU 689.A O no hydrogen 3.133 N/A THR 8.A OG1 ASP 742.A OD1 no hydrogen 2.758 N/A THR 8.A OG1 ASP 742.A OD2 no hydrogen 3.245 N/A ALA 9.A N ILE 687.A O no hydrogen 2.747 N/A GLN 10.A N ILE 687.A O no hydrogen 3.075 N/A THR 13.A N ASN 684.A O no hydrogen 2.847 N/A THR 13.A OG1 ASN 351.A OD1 no hydrogen 2.733 N/A ALA 14.A N ASN 684.A O no hydrogen 3.433 N/A VAL 15.A N SER 322.A O no hydrogen 3.438 N/A ASN 16.A N ALA 34.A O no hydrogen 2.964 N/A CYS 18.A SG THR 311.A OG1 no hydrogen 3.026 N/A VAL 19.A N LEU 32.A O no hydrogen 3.160 N/A THR 20.A OG1 ASN 30.A O no hydrogen 3.451 N/A GLY 21.A N ASN 30.A O no hydrogen 3.260 N/A HIS 22.A ND1 ALA 26.A O no hydrogen 2.940 N/A THR 24.A OG1 ASN 30.A OD1 no hydrogen 3.554 N/A SER 25.A OG ASP 28.A OD1 no hydrogen 2.501 N/A SER 25.A OG ASP 28.A OD2 no hydrogen 3.290 N/A ASN 30.A N GLY 21.A O no hydrogen 2.651 N/A ASN 30.A ND2 THR 24.A OG1 no hydrogen 3.380 N/A LEU 31.A N TYR 42.A O no hydrogen 2.790 N/A LEU 32.A N VAL 19.A O no hydrogen 3.001 N/A ILE 33.A N GLU 40.A O no hydrogen 2.764 N/A ALA 34.A N GLY 17.A O no hydrogen 2.857 N/A LYS 35.A N ARG 38.A O no hydrogen 2.929 N/A LYS 35.A NZ GLU 40.A OE2 no hydrogen 2.706 N/A ASN 36.A ND2 GLY 658.A O no hydrogen 2.783 N/A ASN 36.A ND2 GLU 659.A OE2 no hydrogen 2.935 N/A THR 37.A N LYS 35.A O no hydrogen 2.747 N/A ARG 38.A N LYS 35.A O no hydrogen 3.353 N/A LEU 39.A N VAL 55.A O no hydrogen 2.803 N/A GLU 40.A N ILE 33.A O no hydrogen 2.747 N/A ILE 41.A N LYS 53.A O no hydrogen 2.942 N/A TYR 42.A N LEU 31.A O no hydrogen 2.803 N/A VAL 43.A N ARG 50.A O no hydrogen 3.173 N/A VAL 44.A N LEU 29.A O no hydrogen 3.319 N/A THR 45.A N GLY 48.A O no hydrogen 3.044 N/A ARG 50.A N VAL 43.A O no hydrogen 3.282 N/A VAL 52.A N ILE 41.A O no hydrogen 3.355 N/A LYS 53.A NZ ILE 98.A O no hydrogen 2.961 N/A VAL 55.A N LEU 39.A O no hydrogen 2.772 N/A MET 57.A N THR 37.A O no hydrogen 3.192 N/A GLY 59.A N MET 57.A O no hydrogen 2.812 N/A LYS 60.A NZ ASN 36.A OD1 no hydrogen 2.823 N/A LYS 60.A NZ GLY 658.A O no hydrogen 2.779 N/A ILE 61.A N ASN 36.A O no hydrogen 3.051 N/A ALA 62.A N LEU 80.A O no hydrogen 3.015 N/A VAL 63.A N LEU 80.A O no hydrogen 3.359 N/A GLU 65.A N PHE 78.A O no hydrogen 3.016 N/A PHE 67.A N LEU 76.A O no hydrogen 2.997 N/A ARG 68.A NE LYS 74.A O no hydrogen 3.128 N/A ARG 68.A NH2 LYS 74.A O no hydrogen 3.557 N/A GLU 72.A N PRO 69.A O no hydrogen 3.219 N/A LYS 74.A NZ THR 24.A O no hydrogen 3.217 N/A LYS 74.A NZ TYR 91.A O no hydrogen 3.318 N/A ASP 75.A N HIS 22.A O no hydrogen 3.177 N/A LEU 76.A N PHE 67.A O no hydrogen 3.099 N/A LEU 77.A N LEU 89.A O no hydrogen 3.041 N/A PHE 78.A N GLU 65.A O no hydrogen 2.705 N/A ILE 79.A N CYS 87.A O no hydrogen 2.858 N/A LEU 80.A N VAL 63.A O no hydrogen 2.909 N/A THR 81.A N ASN 85.A O no hydrogen 3.014 N/A THR 81.A OG1 ASN 85.A O no hydrogen 3.033 N/A ALA 82.A N LYS 60.A O no hydrogen 3.054 N/A LYS 83.A NZ PHE 722.A O no hydrogen 2.465 N/A LYS 83.A NZ TRP 723.A O no hydrogen 2.780 N/A LYS 83.A NZ SER 725.A O no hydrogen 2.985 N/A TYR 84.A N THR 81.A O no hydrogen 3.128 N/A ALA 86.A N GLY 106.A O no hydrogen 2.869 N/A CYS 87.A N ILE 79.A O no hydrogen 2.860 N/A ILE 88.A N ALA 104.A O no hydrogen 2.846 N/A LEU 89.A N LEU 77.A O no hydrogen 2.875 N/A GLU 90.A N ILE 101.A O no hydrogen 3.412 N/A LYS 92.A N ASP 99.A O no hydrogen 3.149 N/A GLN 93.A NE2 GLY 95.A O no hydrogen 2.917 N/A SER 94.A N SER 97.A O no hydrogen 3.001 N/A SER 94.A OG SER 97.A O no hydrogen 3.477 N/A SER 97.A N SER 94.A O no hydrogen 3.221 N/A ASP 99.A N LYS 92.A O no hydrogen 2.772 N/A ARG 103.A N ILE 88.A O no hydrogen 3.227 N/A ALA 104.A N ILE 88.A O no hydrogen 3.442 N/A GLY 106.A N ALA 86.A O no hydrogen 2.876 N/A VAL 108.A N TYR 84.A O no hydrogen 3.152 N/A ASP 110.A N TYR 136.A OH no hydrogen 3.371 N/A SER 116.A OG ASP 137.A OD1 no hydrogen 3.346 N/A THR 118.A OG1 VAL 164.A O no hydrogen 3.251 N/A THR 118.A OG1 ILE 165.A O no hydrogen 3.295 N/A ILE 121.A N ARG 134.A O no hydrogen 3.363 N/A ILE 123.A N GLY 132.A O no hydrogen 2.955 N/A ASP 125.A N MET 130.A O no hydrogen 3.412 N/A GLU 127.A N ASP 125.A OD2 no hydrogen 3.328 N/A CYS 128.A N ASP 125.A O no hydrogen 2.956 N/A CYS 128.A SG PRO 126.A O no hydrogen 3.516 N/A ARG 129.A N ASP 125.A OD1 no hydrogen 2.846 N/A ARG 129.A NH1 GLU 127.A OE1 no hydrogen 3.319 N/A ILE 131.A N ILE 143.A O no hydrogen 2.942 N/A GLY 132.A N ILE 123.A O no hydrogen 2.679 N/A LEU 133.A N LYS 141.A O no hydrogen 2.672 N/A ARG 134.A N ILE 121.A O no hydrogen 3.096 N/A ARG 134.A NE ARG 134.A O no hydrogen 3.123 N/A ARG 134.A NH1 VAL 164.A O no hydrogen 2.798 N/A ARG 134.A NH2 GLY 119.A O no hydrogen 3.172 N/A ASP 137.A N ARG 114.A O no hydrogen 3.326 N/A LEU 139.A N TYR 136.A O no hydrogen 3.417 N/A PHE 140.A N ILE 157.A O no hydrogen 2.896 N/A LYS 141.A N LEU 133.A O no hydrogen 2.787 N/A LYS 141.A NZ VAL 108.A O no hydrogen 2.596 N/A LYS 141.A NZ ASP 110.A OD1 no hydrogen 3.072 N/A VAL 142.A N PHE 155.A O no hydrogen 2.807 N/A ILE 143.A N ILE 131.A O no hydrogen 2.925 N/A LEU 145.A N ARG 129.A O no hydrogen 3.355 N/A ASN 149.A N ASP 146.A O no hydrogen 3.070 N/A ASN 149.A ND2 PRO 144.A O no hydrogen 3.134 N/A ASN 149.A ND2 LYS 153.A O no hydrogen 3.230 N/A LYS 150.A NZ ASP 148.A OD1 no hydrogen 2.765 N/A LEU 152.A N ASN 149.A O no hydrogen 3.147 N/A LYS 153.A N ASN 149.A OD1 no hydrogen 2.931 N/A PHE 155.A N VAL 142.A O no hydrogen 3.080 N/A ASN 156.A ND2 ASP 110.A OD2 no hydrogen 3.532 N/A ILE 157.A N PHE 140.A O no hydrogen 2.634 N/A LEU 159.A N GLY 138.A O no hydrogen 2.688 N/A GLU 161.A N GLU 161.A OE1 no hydrogen 2.665 N/A ILE 165.A N VAL 181.A O no hydrogen 2.905 N/A LYS 168.A N CYS 179.A O no hydrogen 2.985 N/A LYS 168.A NZ ASP 166.A OD1 no hydrogen 3.545 N/A LEU 170.A N THR 177.A O no hydrogen 2.946 N/A CYS 173.A SG TYR 171.A O no hydrogen 4.005 N/A ILE 178.A N TYR 193.A O no hydrogen 3.029 N/A CYS 179.A N LYS 168.A O no hydrogen 3.001 N/A PHE 180.A N LYS 191.A O no hydrogen 3.324 N/A VAL 181.A N ASP 166.A O no hydrogen 3.246 N/A TYR 182.A N HIS 189.A O no hydrogen 3.127 N/A TYR 182.A OH GLN 209.A OE1 no hydrogen 2.515 N/A GLN 183.A N HIS 163.A O no hydrogen 2.969 N/A ASP 184.A N GLY 187.A O no hydrogen 2.798 N/A GLY 187.A N ASP 184.A O no hydrogen 2.671 N/A ARG 188.A NH1 ALA 216.A O no hydrogen 3.082 N/A ARG 188.A NH2 GLN 183.A OE1 no hydrogen 2.791 N/A HIS 189.A N TYR 182.A O no hydrogen 2.997 N/A VAL 190.A N GLU 210.A O no hydrogen 2.842 N/A LYS 191.A N PHE 180.A O no hydrogen 3.078 N/A LYS 191.A NZ GLU 161.A OE2 no hydrogen 2.496 N/A LYS 191.A NZ TYR 193.A OH no hydrogen 3.180 N/A TYR 193.A N ILE 178.A O no hydrogen 3.283 N/A TYR 193.A OH GLU 161.A OE1 no hydrogen 3.347 N/A TYR 193.A OH GLU 161.A OE2 no hydrogen 3.430 N/A GLU 194.A N ASN 203.A O no hydrogen 2.662 N/A VAL 195.A N PRO 176.A O no hydrogen 3.275 N/A SER 196.A OG GLU 199.A OE1 no hydrogen 2.786 N/A ARG 198.A NH1 ARG 198.A O no hydrogen 3.318 N/A GLU 201.A N SER 196.A O no hydrogen 3.363 N/A ASN 203.A N GLU 194.A O no hydrogen 2.869 N/A ASN 203.A ND2 GLU 199.A OE1 no hydrogen 2.777 N/A ASN 203.A ND2 GLU 199.A OE2 no hydrogen 3.290 N/A LYS 204.A NZ GLY 205.A O no hydrogen 3.422 N/A GLU 210.A N VAL 190.A O no hydrogen 3.218 N/A ALA 216.A N GLU 213.A O no hydrogen 2.780 N/A SER 217.A N ILE 232.A O no hydrogen 3.029 N/A VAL 219.A N ASP 166.A OD2 no hydrogen 2.830 N/A ILE 220.A N ILE 230.A O no hydrogen 2.798 N/A VAL 222.A N GLY 228.A O no hydrogen 3.113 N/A GLY 227.A N PRO 223.A O no hydrogen 2.789 N/A ALA 229.A N HIS 240.A O no hydrogen 2.977 N/A ILE 230.A N ILE 220.A O no hydrogen 2.913 N/A ILE 231.A N THR 238.A O no hydrogen 2.832 N/A ILE 232.A N MET 218.A O no hydrogen 2.927 N/A GLY 233.A N SER 236.A O no hydrogen 2.980 N/A GLU 235.A N GLU 213.A OE1 no hydrogen 3.417 N/A GLU 235.A N GLU 213.A OE2 no hydrogen 2.736 N/A SER 236.A N GLU 213.A OE1 no hydrogen 2.786 N/A SER 236.A OG GLU 213.A OE1 no hydrogen 2.960 N/A ILE 237.A N ILE 248.A O no hydrogen 3.075 N/A THR 238.A N ILE 231.A O no hydrogen 2.955 N/A THR 238.A OG1 ILE 231.A O no hydrogen 3.568 N/A THR 238.A OG1 HIS 240.A NE2 no hydrogen 2.983 N/A TYR 239.A N LEU 246.A O no hydrogen 2.839 N/A TYR 239.A OH GLY 227.A O no hydrogen 2.650 N/A HIS 240.A N ALA 229.A O no hydrogen 2.704 N/A HIS 240.A ND1 GLU 210.A OE1 no hydrogen 2.643 N/A HIS 240.A NE2 THR 238.A OG1 no hydrogen 2.983 N/A LYS 244.A N ASN 241.A O no hydrogen 2.952 N/A LEU 246.A N TYR 239.A O no hydrogen 3.344 N/A ILE 248.A N ILE 237.A O no hydrogen 3.292 N/A SER 256.A N ILE 253.A O no hydrogen 3.202 N/A VAL 259.A N GLY 274.A O no hydrogen 2.970 N/A CYS 260.A N GLY 274.A O no hydrogen 3.329 N/A CYS 260.A SG GLY 274.A O no hydrogen 3.582 N/A VAL 264.A N ARG 270.A O no hydrogen 3.140 N/A GLY 268.A N ASP 265.A O no hydrogen 2.949 N/A ARG 270.A N ASP 265.A OD1 no hydrogen 3.296 N/A TYR 271.A N LEU 283.A O no hydrogen 3.048 N/A LEU 272.A N ASN 262.A O no hydrogen 2.887 N/A LEU 273.A N PHE 281.A O no hydrogen 3.426 N/A GLY 274.A N CYS 260.A O no hydrogen 3.160 N/A ASP 275.A N ARG 279.A O no hydrogen 3.383 N/A MET 276.A N SER 256.A OG no hydrogen 3.184 N/A ARG 279.A N ASP 275.A OD1 no hydrogen 3.006 N/A ARG 279.A NH1 ASP 275.A OD2 no hydrogen 2.659 N/A ARG 279.A NH2 ILE 252.A O no hydrogen 2.632 N/A LEU 280.A N GLY 302.A O no hydrogen 2.818 N/A PHE 281.A N LEU 273.A O no hydrogen 2.830 N/A MET 282.A N GLU 299.A O no hydrogen 2.578 N/A LEU 283.A N TYR 271.A O no hydrogen 2.899 N/A LEU 284.A N ARG 297.A O no hydrogen 2.970 N/A LYS 287.A NZ SER 269.A OG no hydrogen 3.202 N/A GLN 290.A NE2 GLU 289.A O no hydrogen 2.790 N/A LYS 294.A N GLU 286.A O no hydrogen 2.723 N/A LYS 294.A NZ GLU 288.A OE1 no hydrogen 3.300 N/A LEU 296.A N ASP 295.A OD1 no hydrogen 2.802 N/A ARG 297.A NH1 GLU 299.A OE2 no hydrogen 3.404 N/A GLU 299.A N MET 282.A O no hydrogen 2.751 N/A LEU 301.A N LEU 280.A O no hydrogen 2.788 N/A GLY 302.A N LEU 280.A O no hydrogen 3.234 N/A THR 304.A N GLY 278.A O no hydrogen 2.810 N/A THR 304.A OG1 GLY 278.A O no hydrogen 2.655 N/A THR 304.A OG1 SER 305.A O no hydrogen 2.882 N/A SER 305.A N GLN 328.A OE1 no hydrogen 2.467 N/A SER 305.A OG ASP 326.A O no hydrogen 2.997 N/A SER 305.A OG GLU 380.A OE2 no hydrogen 3.555 N/A GLU 308.A N GLY 321.A O no hydrogen 2.742 N/A CYS 309.A SG GLY 321.A O no hydrogen 3.610 N/A THR 311.A N PHE 319.A O no hydrogen 3.319 N/A TYR 312.A N ASN 262.A OD1 no hydrogen 2.885 N/A LEU 313.A N VAL 317.A O no hydrogen 2.682 N/A ASN 315.A ND2 GLU 47.A OE2 no hydrogen 2.664 N/A ASN 315.A ND2 ASN 315.A O no hydrogen 2.732 N/A VAL 318.A N VAL 330.A O no hydrogen 2.877 N/A PHE 319.A N THR 311.A O no hydrogen 3.093 N/A VAL 320.A N GLN 328.A O no hydrogen 3.219 N/A GLY 321.A N CYS 309.A O no hydrogen 2.888 N/A SER 322.A N SER 327.A OG no hydrogen 2.936 N/A SER 322.A OG ILE 306.A O no hydrogen 3.216 N/A SER 322.A OG GLY 325.A O no hydrogen 2.667 N/A GLY 325.A N ARG 323.A O no hydrogen 3.130 N/A GLY 325.A N GLY 353.A O no hydrogen 2.940 N/A SER 327.A N PHE 349.A O no hydrogen 3.116 N/A SER 327.A OG VAL 320.A O no hydrogen 2.653 N/A LEU 329.A N GLU 347.A O no hydrogen 2.985 N/A VAL 330.A N VAL 318.A O no hydrogen 2.875 N/A LYS 331.A N VAL 344.A O no hydrogen 2.860 N/A LYS 331.A NZ ASN 315.A O no hydrogen 3.502 N/A LEU 332.A N GLY 316.A O no hydrogen 2.560 N/A ASN 333.A N TYR 342.A O no hydrogen 2.835 N/A ASN 337.A N SER 341.A O no hydrogen 3.105 N/A SER 341.A OG LEU 301.A O no hydrogen 3.311 N/A TYR 342.A N LEU 301.A O no hydrogen 3.005 N/A VAL 343.A N SER 341.A OG no hydrogen 3.335 N/A VAL 344.A N LYS 331.A O no hydrogen 3.040 N/A MET 346.A N LEU 329.A O no hydrogen 2.857 N/A GLU 347.A N LEU 329.A O no hydrogen 3.084 N/A PHE 349.A N SER 327.A O no hydrogen 2.814 N/A ASN 351.A N ASP 326.A OD1 no hydrogen 3.394 N/A ASN 351.A ND2 ARG 323.A O no hydrogen 2.799 N/A ASN 351.A ND2 GLY 325.A O no hydrogen 3.017 N/A LEU 352.A N THR 13.A OG1 no hydrogen 2.814 N/A GLY 353.A N ASN 351.A OD1 no hydrogen 3.007 N/A ILE 355.A N THR 682.A O no hydrogen 3.188 N/A VAL 356.A N CYS 374.A O no hydrogen 2.956 N/A MET 358.A N ASP 357.A OD1 no hydrogen 2.615 N/A CYS 359.A N VAL 372.A O no hydrogen 3.176 N/A CYS 359.A SG VAL 372.A O no hydrogen 4.019 N/A VAL 361.A N GLN 370.A O no hydrogen 3.341 N/A GLN 370.A N VAL 361.A O no hydrogen 2.673 N/A LEU 371.A N ILE 386.A O no hydrogen 3.069 N/A VAL 372.A N CYS 359.A O no hydrogen 3.202 N/A THR 373.A N ARG 384.A O no hydrogen 2.706 N/A THR 373.A OG1 SER 375.A OG no hydrogen 3.103 N/A THR 373.A OG1 ARG 384.A O no hydrogen 3.318 N/A CYS 374.A N ASP 357.A O no hydrogen 2.671 N/A CYS 374.A SG ASP 357.A O no hydrogen 3.425 N/A SER 375.A N SER 382.A O no hydrogen 3.226 N/A SER 375.A OG LEU 352.A O no hydrogen 2.684 N/A SER 375.A OG THR 373.A OG1 no hydrogen 3.103 N/A LYS 379.A NZ THR 304.A O no hydrogen 3.247 N/A GLU 380.A N ALA 377.A O no hydrogen 3.178 N/A GLY 381.A N PHE 378.A O no hydrogen 3.100 N/A SER 382.A N SER 375.A O no hydrogen 2.779 N/A ARG 384.A N THR 373.A O no hydrogen 3.194 N/A ARG 384.A NE SER 382.A OG no hydrogen 2.818 N/A ARG 384.A NH1 ASP 326.A OD1 no hydrogen 3.301 N/A ARG 384.A NH1 THR 394.A OG1 no hydrogen 2.883 N/A ARG 384.A NH2 ASP 326.A OD1 no hydrogen 2.881 N/A ARG 384.A NH2 SER 382.A OG no hydrogen 3.418 N/A ILE 385.A N ARG 393.A O no hydrogen 2.771 N/A ILE 386.A N LEU 371.A O no hydrogen 2.899 N/A ARG 387.A N HIS 391.A O no hydrogen 3.006 N/A HIS 391.A N ARG 387.A O no hydrogen 2.891 N/A ARG 393.A N ILE 385.A O no hydrogen 2.856 N/A VAL 395.A N LEU 383.A O no hydrogen 3.041 N/A LEU 397.A N GLY 381.A O no hydrogen 2.865 N/A SER 400.A OG SER 418.A O no hydrogen 2.838 N/A ARG 402.A NH1 GLU 447.A OE1 no hydrogen 2.858 N/A LYS 403.A NZ LEU 474.A O no hydrogen 3.463 N/A ILE 404.A N ASP 357.A OD2 no hydrogen 3.424 N/A CYS 405.A N GLY 414.A O no hydrogen 3.384 N/A GLN 407.A N CYS 412.A O no hydrogen 3.159 N/A GLN 407.A NE2 SER 410.A OG no hydrogen 2.709 N/A SER 410.A N GLN 407.A O no hydrogen 3.466 N/A SER 410.A OG TYR 513.A O no hydrogen 3.228 N/A GLN 411.A NE2 GLU 364.A OE2 no hydrogen 2.779 N/A CYS 412.A N GLN 407.A O no hydrogen 3.531 N/A CYS 412.A SG PHE 413.A O no hydrogen 3.894 N/A PHE 413.A N ILE 454.A O no hydrogen 2.837 N/A GLY 414.A N CYS 405.A O no hydrogen 3.047 N/A VAL 415.A N LEU 452.A O no hydrogen 2.768 N/A LEU 416.A N LYS 403.A O no hydrogen 3.199 N/A SER 417.A N ASN 450.A O no hydrogen 2.706 N/A SER 417.A OG GLU 399.A OE2 no hydrogen 2.793 N/A SER 417.A OG ASN 450.A O no hydrogen 3.545 N/A SER 418.A N SER 400.A O no hydrogen 3.133 N/A SER 418.A OG GLU 447.A OE1 no hydrogen 3.470 N/A ARG 419.A N VAL 448.A O no hydrogen 3.359 N/A ARG 419.A NH1 SER 430.A OG no hydrogen 2.655 N/A THR 422.A OG1 GLU 421.A OE1 no hydrogen 3.432 N/A SER 428.A OG GLU 399.A OE1 no hydrogen 3.045 N/A ALA 429.A N LEU 397.A O no hydrogen 2.806 N/A SER 430.A OG GLU 399.A OE1 no hydrogen 2.573 N/A SER 430.A OG GLU 399.A OE2 no hydrogen 2.966 N/A THR 431.A N SER 428.A O no hydrogen 3.065 N/A THR 431.A OG1 SER 428.A O no hydrogen 3.049 N/A GLN 432.A N SER 428.A O no hydrogen 2.990 N/A LEU 434.A N VAL 461.A O no hydrogen 3.392 N/A SER 435.A N LEU 462.A O no hydrogen 3.109 N/A SER 435.A OG LEU 462.A O no hydrogen 2.785 N/A SER 435.A OG HIS 463.A ND1 no hydrogen 2.761 N/A SER 437.A OG HIS 463.A NE2 no hydrogen 2.754 N/A LEU 443.A N SER 441.A OG no hydrogen 3.018 N/A VAL 448.A N ARG 419.A O no hydrogen 2.828 N/A ASN 450.A N SER 417.A O no hydrogen 2.957 N/A ASN 450.A ND2 VAL 448.A O no hydrogen 3.364 N/A LEU 451.A N HIS 465.A O no hydrogen 3.015 N/A LEU 452.A N VAL 415.A O no hydrogen 2.583 N/A ILE 453.A N HIS 463.A O no hydrogen 3.117 N/A ILE 454.A N PHE 413.A O no hydrogen 2.917 N/A ASP 455.A N GLU 460.A O no hydrogen 3.464 N/A GLN 456.A N GLN 411.A O no hydrogen 3.327 N/A GLN 456.A NE2 TYR 406.A OH no hydrogen 2.977 N/A HIS 457.A N ASP 455.A OD1 no hydrogen 2.762 N/A THR 458.A N ASP 455.A OD1 no hydrogen 3.296 N/A GLU 460.A N THR 458.A OG1 no hydrogen 3.384 N/A LEU 462.A N ILE 453.A O no hydrogen 2.781 N/A HIS 463.A NE2 SER 437.A OG no hydrogen 2.754 N/A ALA 464.A N SER 435.A O no hydrogen 3.127 N/A HIS 465.A N LEU 451.A O no hydrogen 3.127 N/A GLN 466.A N SER 437.A O no hydrogen 3.062 N/A PHE 467.A N HIS 449.A O no hydrogen 2.817 N/A LEU 468.A N GLU 471.A OE1 no hydrogen 2.731 N/A TYR 472.A N ALA 494.A O no hydrogen 3.048 N/A TYR 472.A OH GLU 447.A OE2 no hydrogen 2.702 N/A ALA 473.A N HIS 449.A ND1 no hydrogen 3.102 N/A LEU 474.A N GLY 492.A O no hydrogen 3.084 N/A SER 475.A OG VAL 530.A O no hydrogen 3.245 N/A VAL 477.A N ILE 490.A O no hydrogen 3.149 N/A SER 478.A OG GLN 407.A OE1 no hydrogen 3.253 N/A CYS 479.A N TYR 488.A O no hydrogen 3.225 N/A ASP 484.A N GLY 482.A O no hydrogen 2.804 N/A ASN 486.A N ASP 484.A OD1 no hydrogen 2.797 N/A TYR 488.A N CYS 479.A O no hydrogen 3.152 N/A TYR 488.A OH ASP 484.A OD2 no hydrogen 3.294 N/A PHE 489.A N PHE 511.A O no hydrogen 2.804 N/A ILE 490.A N VAL 477.A O no hydrogen 2.870 N/A VAL 491.A N VAL 509.A O no hydrogen 2.929 N/A GLY 492.A N SER 475.A O no hydrogen 3.223 N/A THR 493.A N ARG 507.A O no hydrogen 2.858 N/A THR 493.A OG1 GLU 471.A OE2 no hydrogen 2.813 N/A THR 493.A OG1 ARG 507.A O no hydrogen 3.379 N/A ALA 494.A N TYR 472.A O no hydrogen 3.110 N/A MET 495.A N GLN 505.A O no hydrogen 2.806 N/A VAL 496.A N ASN 470.A O no hydrogen 3.171 N/A GLY 506.A N VAL 526.A O no hydrogen 3.146 N/A ARG 507.A N THR 493.A OG1 no hydrogen 3.025 N/A ARG 507.A NE GLU 471.A OE2 no hydrogen 2.665 N/A ARG 507.A NH2 SER 439.A OG no hydrogen 3.270 N/A ILE 508.A N LYS 524.A O no hydrogen 3.111 N/A VAL 509.A N VAL 491.A O no hydrogen 2.886 N/A VAL 510.A N ALA 522.A O no hydrogen 2.841 N/A PHE 511.A N PHE 489.A O no hydrogen 2.581 N/A GLN 512.A N GLN 519.A O no hydrogen 2.871 N/A GLN 512.A NE2 GLN 519.A OE1 no hydrogen 3.041 N/A SER 514.A N LYS 517.A O no hydrogen 3.037 N/A LYS 517.A N SER 514.A O no hydrogen 3.053 N/A GLN 519.A N GLN 512.A O no hydrogen 2.755 N/A VAL 521.A N VAL 510.A O no hydrogen 2.902 N/A LYS 524.A NZ LEU 559.A O no hydrogen 3.222 N/A VAL 526.A N GLY 506.A O no hydrogen 2.946 N/A VAL 530.A N THR 493.A O no hydrogen 3.238 N/A TYR 531.A N SER 543.A O no hydrogen 2.960 N/A PHE 536.A N LYS 539.A O no hydrogen 2.627 N/A ASN 537.A ND2 GLY 578.A O no hydrogen 3.373 N/A GLY 538.A N GLU 535.A OE2 no hydrogen 2.672 N/A LYS 539.A N PHE 536.A O no hydrogen 3.153 N/A LEU 541.A N VAL 534.A O no hydrogen 3.035 N/A SER 543.A N SER 532.A O no hydrogen 2.849 N/A SER 543.A OG ALA 571.A O no hydrogen 3.126 N/A ILE 544.A N THR 547.A O no hydrogen 2.749 N/A ASN 545.A N ALA 529.A O no hydrogen 3.172 N/A ASN 545.A ND2 ALA 529.A O no hydrogen 3.686 N/A SER 546.A OG ASN 568.A O no hydrogen 3.176 N/A THR 547.A N ILE 544.A O no hydrogen 2.706 N/A VAL 548.A N HIS 565.A O no hydrogen 2.892 N/A ARG 549.A N ALA 542.A O no hydrogen 3.001 N/A TYR 551.A N LEU 540.A O no hydrogen 2.747 N/A GLU 552.A N ARG 560.A O no hydrogen 2.692 N/A TRP 553.A NE1 ASP 484.A OD2 no hydrogen 3.126 N/A THR 554.A N GLU 558.A O no hydrogen 3.214 N/A THR 554.A OG1 GLU 558.A O no hydrogen 3.235 N/A THR 554.A OG1 GLU 558.A OE2 no hydrogen 3.165 N/A THR 555.A OG1 GLU 556.A OE1 no hydrogen 2.705 N/A LYS 557.A N THR 554.A O no hydrogen 3.081 N/A LYS 557.A NZ ASP 484.A OD2 no hydrogen 2.781 N/A LYS 557.A NZ TYR 488.A OH no hydrogen 3.222 N/A ARG 560.A N GLU 552.A O no hydrogen 2.912 N/A THR 561.A OG1 CYS 563.A O no hydrogen 3.397 N/A THR 561.A OG1 ASN 564.A OD1 no hydrogen 3.429 N/A HIS 565.A NE2 GLU 604.A OE1 no hydrogen 3.089 N/A ASN 568.A N TYR 566.A O no hydrogen 3.107 N/A MET 570.A N ASP 585.A OD2 no hydrogen 3.034 N/A ALA 571.A N ASN 545.A O no hydrogen 2.947 N/A LEU 572.A N GLY 584.A O no hydrogen 2.821 N/A TYR 573.A N GLY 584.A O no hydrogen 3.250 N/A TYR 573.A OH MET 614.A O no hydrogen 3.359 N/A LYS 575.A N LEU 582.A O no hydrogen 3.170 N/A LYS 575.A NZ VAL 617.A O no hydrogen 3.423 N/A LYS 575.A NZ GLU 618.A OE1 no hydrogen 2.540 N/A LYS 575.A NZ PHE 664.A O no hydrogen 2.880 N/A LYS 577.A N PHE 580.A O no hydrogen 2.885 N/A LYS 577.A NZ ASP 622.A OD1 no hydrogen 2.829 N/A PHE 580.A N LYS 577.A O no hydrogen 2.839 N/A ILE 581.A N LEU 593.A O no hydrogen 3.000 N/A LEU 582.A N LYS 575.A O no hydrogen 2.787 N/A VAL 583.A N LEU 591.A O no hydrogen 3.038 N/A GLY 584.A N TYR 573.A O no hydrogen 2.766 N/A ASP 585.A N SER 589.A O no hydrogen 2.884 N/A LEU 586.A N MET 570.A O no hydrogen 2.765 N/A MET 587.A N ASP 585.A OD1 no hydrogen 2.743 N/A ARG 588.A N ASP 585.A OD1 no hydrogen 2.701 N/A SER 589.A OG ASP 608.A OD2 no hydrogen 2.927 N/A LEU 591.A N VAL 583.A O no hydrogen 3.046 N/A LEU 592.A N ALA 606.A O no hydrogen 2.740 N/A LEU 593.A N ILE 581.A O no hydrogen 3.062 N/A ALA 594.A N GLU 603.A O no hydrogen 2.926 N/A TYR 595.A N ASP 579.A O no hydrogen 3.281 N/A TYR 595.A OH GLU 562.A OE1 no hydrogen 3.196 N/A TYR 595.A OH GLU 562.A OE2 no hydrogen 2.701 N/A LYS 596.A N ASN 601.A O no hydrogen 3.188 N/A LYS 596.A NZ GLU 603.A OE1 no hydrogen 3.378 N/A GLU 599.A N LYS 596.A O no hydrogen 3.249 N/A GLU 603.A N ALA 594.A O no hydrogen 2.850 N/A ARG 607.A NH2 ARG 588.A O no hydrogen 3.152 N/A ASP 608.A N VAL 590.A O no hydrogen 3.038 N/A ASN 612.A ND2 ASN 610.A O no hydrogen 2.749 N/A MET 614.A N LEU 586.A O no hydrogen 3.343 N/A SER 615.A N ALA 628.A O no hydrogen 3.239 N/A SER 615.A OG ALA 628.A O no hydrogen 3.109 N/A SER 615.A OG VAL 661.A O no hydrogen 2.764 N/A GLU 618.A N LEU 626.A O no hydrogen 2.911 N/A ILE 619.A N GLU 618.A OE2 no hydrogen 3.230 N/A LEU 620.A N ASN 624.A O no hydrogen 3.109 N/A ASN 624.A N ASP 621.A O no hydrogen 2.976 N/A ASN 624.A ND2 ASP 621.A OD1 no hydrogen 2.676 N/A ASN 624.A ND2 ASN 624.A O no hydrogen 3.181 N/A PHE 625.A N CYS 637.A O no hydrogen 3.030 N/A LEU 626.A N GLU 618.A O no hydrogen 2.712 N/A GLY 627.A N PHE 635.A O no hydrogen 2.677 N/A ALA 628.A N ALA 616.A O no hydrogen 3.306 N/A GLU 629.A N ASN 633.A O no hydrogen 2.795 N/A ASN 630.A N TRP 613.A O no hydrogen 2.846 N/A PHE 632.A N GLU 629.A O no hydrogen 3.217 N/A ASN 633.A N GLU 629.A OE1 no hydrogen 2.782 N/A ASN 633.A ND2 GLU 629.A OE2 no hydrogen 3.280 N/A ASN 633.A ND2 HIS 727.A O no hydrogen 2.803 N/A LEU 634.A N PHE 655.A O no hydrogen 2.701 N/A PHE 635.A N GLY 627.A O no hydrogen 2.577 N/A VAL 636.A N GLY 653.A O no hydrogen 2.957 N/A CYS 637.A N PHE 625.A O no hydrogen 2.835 N/A CYS 637.A SG ASP 608.A OD2 no hydrogen 3.348 N/A GLN 638.A N GLN 650.A O no hydrogen 3.140 N/A GLN 638.A NE2 ASN 624.A OD1 no hydrogen 3.356 N/A GLN 647.A NE2 ILE 605.A O no hydrogen 3.263 N/A LEU 649.A N ARG 607.A O no hydrogen 3.095 N/A GLN 650.A N GLN 638.A O no hydrogen 2.937 N/A VAL 652.A N VAL 636.A O no hydrogen 2.825 N/A PHE 655.A N LEU 634.A O no hydrogen 2.768 N/A HIS 656.A N ARG 724.A O no hydrogen 3.192 N/A HIS 656.A ND1 ASN 633.A OD1 no hydrogen 2.629 N/A LEU 657.A N PHE 632.A O no hydrogen 3.045 N/A GLY 658.A N PHE 632.A O no hydrogen 3.465 N/A ASN 662.A N GLY 681.A O no hydrogen 2.816 N/A ASN 662.A ND2 VAL 356.A O no hydrogen 3.656 N/A VAL 663.A N GLY 681.A O no hydrogen 3.296 N/A CYS 665.A N LEU 679.A O no hydrogen 3.000 N/A CYS 665.A SG MET 358.A O no hydrogen 3.608 N/A HIS 666.A NE2 GLU 618.A OE2 no hydrogen 2.954 N/A GLY 667.A N SER 677.A O no hydrogen 3.047 N/A VAL 670.A N SER 668.A OG no hydrogen 3.012 N/A SER 677.A OG GLY 667.A O no hydrogen 3.019 N/A VAL 678.A N VAL 690.A O no hydrogen 3.068 N/A PHE 680.A N GLY 688.A O no hydrogen 2.751 N/A GLY 681.A N VAL 663.A O no hydrogen 2.860 N/A THR 682.A OG1 MET 686.A O no hydrogen 3.054 N/A VAL 683.A N PHE 660.A O no hydrogen 3.226 N/A GLY 685.A N THR 682.A O no hydrogen 3.440 N/A MET 686.A N THR 682.A OG1 no hydrogen 2.847 N/A GLY 688.A N PHE 680.A O no hydrogen 3.142 N/A LEU 689.A N VAL 7.A O no hydrogen 2.768 N/A VAL 690.A N VAL 678.A O no hydrogen 3.088 N/A THR 691.A N TYR 5.A O no hydrogen 3.328 N/A THR 691.A OG1 GLN 675.A O no hydrogen 2.805 N/A THR 691.A OG1 GLY 676.A O no hydrogen 3.007 N/A THR 691.A OG1 SER 692.A O no hydrogen 3.570 N/A SER 692.A N GLN 675.A O no hydrogen 3.380 N/A LEU 693.A N TYR 3.A O no hydrogen 2.778 N/A SER 694.A OG SER 696.A OG no hydrogen 2.927 N/A SER 696.A OG SER 694.A OG no hydrogen 2.927 N/A TRP 697.A N SER 694.A OG no hydrogen 3.270 N/A TYR 698.A N SER 694.A O no hydrogen 2.804 N/A ASN 699.A N GLU 695.A O no hydrogen 3.138 N/A ASN 699.A ND2 GLU 695.A O no hydrogen 3.579 N/A LEU 701.A N TRP 697.A O no hydrogen 3.126 N/A LEU 702.A N TYR 698.A O no hydrogen 2.642 N/A ASP 703.A N ASN 699.A O no hydrogen 3.349 N/A GLN 705.A N LEU 701.A O no hydrogen 2.979 N/A ASN 706.A N LEU 702.A O no hydrogen 3.261 N/A ARG 707.A N ASP 703.A O no hydrogen 2.963 N/A ARG 707.A NE ASP 703.A O no hydrogen 3.589 N/A LEU 708.A N GLN 705.A O no hydrogen 2.799 N/A ASN 709.A N GLN 705.A O no hydrogen 2.880 N/A VAL 711.A N LEU 708.A O no hydrogen 3.165 N/A ILE 712.A N LEU 708.A O no hydrogen 3.200 N/A SER 714.A OG ILE 718.A O no hydrogen 2.722 N/A GLY 716.A N THR 102.A OG1 no hydrogen 2.877 N/A LYS 717.A N SER 714.A O no hydrogen 3.107 N/A HIS 720.A NE2 ASP 740.A OD2 no hydrogen 3.282 N/A TRP 723.A N GLU 719.A O no hydrogen 3.374 N/A ARG 724.A N HIS 720.A O no hydrogen 3.443 N/A ARG 724.A NH1 HIS 656.A O no hydrogen 3.139 N/A SER 725.A N PHE 722.A O no hydrogen 3.223 N/A SER 725.A OG SER 721.A O no hydrogen 2.738 N/A SER 725.A OG PHE 722.A O no hydrogen 3.046 N/A THR 728.A N LYS 731.A O no hydrogen 3.007 N/A THR 728.A OG1 LYS 731.A O no hydrogen 3.395 N/A ARG 730.A N THR 728.A OG1 no hydrogen 2.982 N/A LYS 731.A N THR 728.A OG1 no hydrogen 2.988 N/A GLY 737.A N TYR 698.A OH no hydrogen 2.912 N/A ILE 739.A N ASN 4.A O no hydrogen 2.701 N/A GLY 741.A N VAL 6.A O no hydrogen 2.739 N/A LEU 743.A N ASP 740.A O no hydrogen 2.929 N/A ILE 744.A N ASP 740.A O no hydrogen 3.359 N/A GLU 745.A N GLY 741.A O no hydrogen 2.716 N/A SER 746.A N ASP 742.A O no hydrogen 3.295 N/A SER 746.A OG LEU 743.A O no hydrogen 3.233 N/A ASP 749.A N SER 746.A O no hydrogen 3.303 N/A LYS 754.A N SER 751.A OG no hydrogen 3.378 N/A MET 755.A N SER 751.A O no hydrogen 2.791 N/A GLN 756.A N ARG 752.A O no hydrogen 3.275 N/A GLU 757.A N LYS 754.A O no hydrogen 3.084 N/A VAL 758.A N MET 755.A O no hydrogen 3.158 N/A THR 765.A OG1 ASP 767.A OD1 no hydrogen 2.880 N/A VAL 773.A N LEU 769.A O no hydrogen 3.090 N/A GLU 775.A N VAL 772.A O no hydrogen 3.297 N/A LEU 776.A N VAL 773.A O no hydrogen 2.882 N/A THR 777.A OG1 GLU 774.A O no hydrogen 2.933 N/A ARG 778.A N GLU 775.A O no hydrogen 3.049 N/A