Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pnc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 7.A N GLU 10.A OE1 no hydrogen 2.857 N/A GLU 10.A N SER 7.A OG no hydrogen 3.202 N/A LEU 11.A N SER 7.A O no hydrogen 2.772 N/A THR 12.A N ARG 8.A O no hydrogen 2.950 N/A THR 12.A OG1 ARG 8.A O no hydrogen 2.966 N/A THR 13.A N GLU 9.A O no hydrogen 3.139 N/A THR 13.A OG1 GLU 9.A O no hydrogen 2.987 N/A VAL 14.A N GLU 10.A O no hydrogen 3.104 N/A MET 15.A N LEU 11.A O no hydrogen 3.332 N/A SER 16.A N THR 12.A O no hydrogen 3.014 N/A SER 16.A OG THR 12.A O no hydrogen 3.095 N/A PHE 17.A N THR 13.A O no hydrogen 2.904 N/A LEU 18.A N VAL 14.A O no hydrogen 2.772 N/A THR 19.A N MET 15.A O no hydrogen 2.919 N/A THR 19.A OG1 MET 15.A O no hydrogen 2.469 N/A GLN 20.A N SER 16.A O no hydrogen 3.041 N/A GLN 20.A NE2 GLN 21.A OE1 no hydrogen 2.368 N/A GLN 21.A N PHE 17.A O no hydrogen 3.100 N/A LEU 22.A N LEU 18.A O no hydrogen 3.075 N/A VAL 27.A N ASN 37.A O no hydrogen 2.797 N/A ALA 30.A N ASP 28.A OD2 no hydrogen 2.979 N/A GLN 31.A N ASP 28.A O no hydrogen 2.916 N/A ALA 32.A N ALA 29.A O no hydrogen 3.528 N/A ARG 33.A N ASP 36.A OD2 no hydrogen 3.060 N/A ASP 36.A N ARG 33.A O no hydrogen 2.779 N/A ASN 37.A ND2 GLY 75.A O no hydrogen 3.542 N/A CYS 38.A N PHE 72.A O no hydrogen 3.278 N/A PHE 40.A N ILE 70.A O no hydrogen 2.747 N/A SER 41.A N ILE 70.A O no hydrogen 3.462 N/A VAL 42.A N VAL 331.A O no hydrogen 3.052 N/A GLU 43.A N LEU 68.A O no hydrogen 3.080 N/A GLN 45.A N GLU 66.A O no hydrogen 2.907 N/A GLN 45.A NE2 LEU 46.A O no hydrogen 3.203 N/A LYS 49.A N GLU 543.A OE1 no hydrogen 3.082 N/A LYS 49.A NZ ASP 433.A OD2 no hydrogen 2.890 N/A LYS 49.A NZ ASP 435.A OD1 no hydrogen 3.177 N/A LYS 49.A NZ ASP 435.A OD2 no hydrogen 3.183 N/A LYS 49.A NZ ASP 577.A OD1 no hydrogen 2.977 N/A LYS 49.A NZ ASP 577.A OD2 no hydrogen 2.886 N/A ALA 52.A N PRO 48.A O no hydrogen 2.918 N/A LEU 53.A N LYS 49.A O no hydrogen 2.766 N/A ALA 54.A N ALA 50.A O no hydrogen 3.010 N/A HIS 55.A N ALA 51.A O no hydrogen 2.982 N/A HIS 55.A ND1 SER 60.A O no hydrogen 3.046 N/A LEU 56.A N ALA 52.A O no hydrogen 2.951 N/A ASP 57.A N LEU 53.A O no hydrogen 2.608 N/A ARG 58.A N ALA 54.A O no hydrogen 2.884 N/A SER 60.A N ALA 54.A O no hydrogen 3.170 N/A ARG 65.A NE GLU 10.A OE1 no hydrogen 3.504 N/A ARG 65.A NE GLU 10.A OE2 no hydrogen 2.917 N/A ARG 65.A NH1 ALA 4.A O no hydrogen 3.317 N/A ARG 65.A NH2 ALA 4.A O no hydrogen 2.509 N/A ARG 65.A NH2 GLU 10.A OE1 no hydrogen 3.335 N/A ALA 67.A N VAL 86.A O no hydrogen 2.810 N/A LEU 68.A N GLU 43.A O no hydrogen 2.557 N/A ALA 69.A N LEU 84.A O no hydrogen 2.879 N/A ILE 70.A N SER 41.A O no hydrogen 2.989 N/A VAL 71.A N THR 82.A O no hydrogen 2.814 N/A PHE 72.A N CYS 38.A O no hydrogen 3.024 N/A PHE 73.A N ASN 80.A O no hydrogen 2.770 N/A GLY 74.A N ASP 36.A O no hydrogen 3.249 N/A GLY 75.A N ASN 37.A OD1 no hydrogen 2.742 N/A GLN 76.A NE2 GLN 78.A O no hydrogen 2.750 N/A ASN 80.A N PHE 73.A O no hydrogen 3.202 N/A VAL 81.A N LEU 107.A O no hydrogen 2.985 N/A THR 82.A N VAL 71.A O no hydrogen 2.841 N/A THR 82.A OG1 ASN 80.A OD1 no hydrogen 2.733 N/A GLU 83.A N THR 99.A OG1 no hydrogen 2.786 N/A LEU 84.A N ALA 69.A O no hydrogen 2.885 N/A VAL 85.A N ARG 96.A O no hydrogen 2.813 N/A VAL 86.A N ALA 67.A O no hydrogen 2.833 N/A GLY 87.A N TYR 94.A O no hydrogen 3.477 N/A LEU 89.A N ARG 65.A O no hydrogen 2.762 N/A GLN 91.A NE2 PRO 90.A O no hydrogen 3.519 N/A SER 93.A N GLY 87.A O no hydrogen 2.952 N/A TYR 94.A N GLY 87.A O no hydrogen 3.043 N/A TYR 94.A OH GLU 66.A OE1 no hydrogen 2.423 N/A ARG 96.A N VAL 85.A O no hydrogen 3.119 N/A VAL 98.A N GLU 83.A O no hydrogen 2.973 N/A THR 99.A N ASP 97.A OD2 no hydrogen 2.882 N/A THR 99.A OG1 ASP 97.A OD2 no hydrogen 2.569 N/A ARG 102.A N VAL 98.A O no hydrogen 2.908 N/A ARG 102.A N THR 99.A O no hydrogen 3.182 N/A ARG 102.A NH2 GLN 45.A OE1 no hydrogen 3.455 N/A HIS 103.A N THR 99.A O no hydrogen 2.804 N/A HIS 103.A NE2 GLU 83.A OE1 no hydrogen 2.486 N/A TYR 109.A OH PRO 34.A O no hydrogen 2.782 N/A ARG 111.A N PRO 108.A O no hydrogen 3.180 N/A ARG 111.A NE ASP 556.A OD2 no hydrogen 2.956 N/A ARG 112.A NH1 TYR 109.A O no hydrogen 2.793 N/A LEU 116.A N GLU 333.A OE2 no hydrogen 2.607 N/A TYR 119.A N LEU 115.A O no hydrogen 3.002 N/A LEU 120.A N LEU 116.A O no hydrogen 3.068 N/A ASP 121.A N ARG 117.A O no hydrogen 3.017 N/A ILE 122.A N GLU 118.A O no hydrogen 3.010 N/A ASP 123.A N TYR 119.A O no hydrogen 2.877 N/A GLN 124.A N LEU 120.A O no hydrogen 3.006 N/A MET 125.A N ASP 121.A O no hydrogen 3.199 N/A ILE 126.A N ILE 122.A O no hydrogen 2.936 N/A PHE 127.A N ASP 123.A O no hydrogen 2.776 N/A ASN 128.A N GLN 124.A O no hydrogen 2.653 N/A ARG 129.A N MET 125.A O no hydrogen 2.803 N/A ARG 129.A NH1 TRP 202.A O no hydrogen 2.960 N/A GLU 130.A N MET 125.A O no hydrogen 3.042 N/A LEU 131.A N ILE 126.A O no hydrogen 2.798 N/A GLN 133.A N GLU 130.A O no hydrogen 2.840 N/A GLN 133.A NE2 ARG 129.A O no hydrogen 3.076 N/A ALA 134.A N LEU 131.A O no hydrogen 2.664 N/A ALA 135.A N PRO 132.A O no hydrogen 3.266 N/A VAL 137.A N GLU 221.A OE2 no hydrogen 2.982 N/A LEU 138.A N ALA 134.A O no hydrogen 3.256 N/A HIS 139.A N ALA 135.A O no hydrogen 2.926 N/A HIS 139.A ND1 TYR 144.A O no hydrogen 2.680 N/A CYS 141.A N VAL 137.A O no hydrogen 3.000 N/A CYS 141.A SG VAL 137.A O no hydrogen 3.228 N/A CYS 141.A SG LEU 138.A O no hydrogen 3.421 N/A CYS 142.A N LEU 138.A O no hydrogen 2.818 N/A TYR 144.A N LEU 138.A O no hydrogen 3.101 N/A GLN 146.A N SER 143.A O no hydrogen 3.095 N/A GLN 146.A NE2 HIS 139.A O no hydrogen 3.106 N/A LEU 152.A N TYR 173.A O no hydrogen 2.800 N/A THR 153.A OG1 ASP 123.A OD1 no hydrogen 2.664 N/A MET 154.A N GLY 171.A O no hydrogen 2.790 N/A SER 156.A OG TRP 169.A O no hydrogen 2.820 N/A ARG 159.A NE ASN 555.A OD1 no hydrogen 2.996 N/A ARG 159.A NH1 ASN 155.A OD1 no hydrogen 2.796 N/A ARG 159.A NH1 THR 168.A OG1 no hydrogen 2.912 N/A ARG 159.A NH2 TYR 119.A OH no hydrogen 2.912 N/A VAL 161.A N ASP 165.A OD2 no hydrogen 2.903 N/A SER 163.A OG ASP 556.A OD1 no hydrogen 2.748 N/A SER 163.A OG THR 559.A OG1 no hydrogen 2.585 N/A ASP 165.A N GLN 162.A O no hydrogen 3.306 N/A ARG 166.A NH1 GLU 118.A OE1 no hydrogen 2.848 N/A ARG 166.A NH2 TYR 110.A O no hydrogen 3.015 N/A ARG 166.A NH2 ARG 112.A O no hydrogen 2.296 N/A SER 167.A N ARG 159.A O no hydrogen 2.790 N/A SER 167.A OG ASP 193.A OD1 no hydrogen 3.207 N/A THR 168.A N VAL 192.A O no hydrogen 2.798 N/A THR 168.A OG1 HIS 194.A NE2 no hydrogen 2.559 N/A PHE 170.A N LEU 190.A O no hydrogen 2.952 N/A GLY 171.A N MET 154.A O no hydrogen 2.990 N/A ILE 172.A N LEU 188.A O no hydrogen 2.859 N/A TYR 173.A N LEU 152.A O no hydrogen 2.933 N/A TYR 173.A OH SER 401.A O no hydrogen 2.961 N/A TYR 174.A N HIS 184.A O no hydrogen 3.011 N/A TYR 174.A OH ILE 234.A O no hydrogen 2.682 N/A ASN 175.A N LYS 150.A O no hydrogen 2.630 N/A THR 177.A OG1 ASN 175.A OD1 no hydrogen 3.075 N/A LEU 183.A N GLY 180.A O no hydrogen 3.383 N/A VAL 186.A N ILE 172.A O no hydrogen 3.054 N/A GLU 189.A N PHE 208.A O no hydrogen 2.995 N/A LEU 190.A N PHE 170.A O no hydrogen 2.961 N/A LEU 191.A N LYS 206.A O no hydrogen 2.967 N/A VAL 192.A N THR 168.A O no hydrogen 2.843 N/A ASP 193.A N THR 203.A O no hydrogen 2.525 N/A HIS 194.A N ARG 166.A O no hydrogen 3.103 N/A HIS 194.A ND1 GLU 118.A OE1 no hydrogen 2.974 N/A HIS 194.A NE2 THR 168.A OG1 no hydrogen 2.559 N/A LYS 195.A N ASP 193.A OD1 no hydrogen 3.282 N/A LYS 195.A NZ GLY 164.A O no hydrogen 2.830 N/A ALA 200.A N ASP 198.A OD2 no hydrogen 3.209 N/A ASP 201.A N ASP 198.A O no hydrogen 2.896 N/A TRP 202.A N PRO 199.A O no hydrogen 3.044 N/A TRP 202.A NE1 ALA 196.A O no hydrogen 2.888 N/A THR 203.A N ASP 193.A O no hydrogen 3.338 N/A THR 203.A OG1 GLN 205.A OE1 no hydrogen 3.053 N/A GLN 205.A N LEU 191.A O no hydrogen 2.755 N/A VAL 207.A N TYR 214.A O no hydrogen 2.781 N/A PHE 208.A N GLU 189.A O no hydrogen 3.016 N/A PHE 209.A N ARG 212.A O no hydrogen 2.754 N/A GLN 210.A N GLY 187.A O no hydrogen 2.618 N/A GLN 210.A NE2 VAL 186.A O no hydrogen 3.104 N/A GLN 210.A NE2 VAL 232.A O no hydrogen 3.052 N/A ARG 212.A N PHE 209.A O no hydrogen 3.150 N/A TYR 214.A N VAL 207.A O no hydrogen 2.589 N/A GLU 215.A N GLN 219.A OE1 no hydrogen 2.981 N/A GLN 219.A N ASN 216.A OD1 no hydrogen 2.795 N/A LEU 220.A N ASN 216.A O no hydrogen 3.289 N/A GLU 221.A N LEU 217.A O no hydrogen 2.820 N/A GLU 222.A N ALA 218.A O no hydrogen 2.650 N/A GLN 223.A N GLN 219.A O no hydrogen 2.684 N/A PHE 224.A N LEU 220.A O no hydrogen 2.969 N/A GLU 225.A N GLU 221.A O no hydrogen 2.860 N/A ALA 226.A N GLU 222.A O no hydrogen 3.156 N/A GLY 227.A N PHE 224.A O no hydrogen 2.829 N/A GLN 228.A N GLN 223.A O no hydrogen 2.837 N/A VAL 232.A N GLN 210.A OE1 no hydrogen 3.010 N/A ILE 234.A N CYS 141.A O no hydrogen 2.670 N/A ARG 237.A NH2 THR 363.A OG1 no hydrogen 2.499 N/A SER 239.A N ALA 246.A O no hydrogen 3.184 N/A GLN 241.A N ARG 244.A O no hydrogen 3.034 N/A ARG 244.A N GLN 241.A O no hydrogen 3.312 N/A VAL 245.A N PHE 252.A O no hydrogen 2.884 N/A ALA 246.A N SER 239.A O no hydrogen 2.919 N/A SER 247.A N TRP 250.A O no hydrogen 3.063 N/A SER 247.A OG TRP 250.A O no hydrogen 3.521 N/A LEU 249.A N SER 247.A OG no hydrogen 3.268 N/A TRP 250.A N SER 247.A OG no hydrogen 2.704 N/A TRP 250.A NE1 TYR 384.A O no hydrogen 2.906 N/A THR 251.A N ARG 268.A O no hydrogen 3.016 N/A THR 251.A OG1 TRP 250.A O no hydrogen 3.121 N/A PHE 252.A N VAL 245.A O no hydrogen 3.328 N/A SER 253.A N PHE 265.A O no hydrogen 2.822 N/A PHE 254.A N ASN 243.A O no hydrogen 2.716 N/A GLY 255.A N ARG 263.A O no hydrogen 3.182 N/A LEU 256.A N ASP 5.A OD1 no hydrogen 2.696 N/A LEU 256.A N ASP 5.A OD2 no hydrogen 3.509 N/A GLY 257.A N GLY 261.A O no hydrogen 3.025 N/A ALA 258.A N GLU 43.A OE2 no hydrogen 2.943 N/A GLY 261.A N GLY 257.A O no hydrogen 3.300 N/A VAL 264.A N ILE 278.A O no hydrogen 2.740 N/A PHE 265.A N SER 253.A O no hydrogen 2.786 N/A ASP 266.A N TYR 276.A O no hydrogen 2.960 N/A VAL 267.A N ALA 275.A O no hydrogen 3.015 N/A ARG 268.A N THR 251.A O no hydrogen 2.716 N/A ARG 268.A NE ASP 266.A OD2 no hydrogen 2.666 N/A ARG 268.A NH2 ASP 266.A OD2 no hydrogen 3.183 N/A PHE 269.A N GLU 272.A O no hydrogen 2.933 N/A GLN 270.A N LEU 249.A O no hydrogen 2.855 N/A GLN 270.A NE2 SER 620.A O no hydrogen 2.555 N/A GLU 272.A N PHE 269.A O no hydrogen 3.320 N/A ARG 273.A NE ASP 266.A OD2 no hydrogen 2.669 N/A ARG 273.A NH1 ASP 57.A OD1 no hydrogen 3.228 N/A ARG 273.A NH1 ASP 57.A OD2 no hydrogen 3.471 N/A ARG 273.A NH2 ASP 57.A OD1 no hydrogen 3.327 N/A ARG 273.A NH2 ASP 266.A OD2 no hydrogen 2.831 N/A LEU 274.A N VAL 267.A O no hydrogen 2.844 N/A TYR 276.A N ASP 433.A O no hydrogen 3.090 N/A ILE 278.A N VAL 264.A O no hydrogen 2.769 N/A SER 279.A N LYS 431.A O no hydrogen 3.128 N/A SER 279.A OG GLU 277.A OE2 no hydrogen 2.614 N/A LEU 280.A N PRO 262.A O no hydrogen 2.964 N/A GLN 281.A N HIS 429.A O no hydrogen 2.753 N/A GLN 281.A NE2 SER 279.A OG no hydrogen 3.059 N/A ALA 283.A N GLU 282.A OE2 no hydrogen 2.878 N/A GLY 284.A N SER 427.A O no hydrogen 2.761 N/A VAL 286.A N THR 425.A O no hydrogen 3.123 N/A TYR 287.A N THR 297.A O no hydrogen 3.186 N/A GLY 288.A N VAL 423.A O no hydrogen 2.963 N/A ASN 290.A ND2 PHE 405.A O no hydrogen 2.810 N/A ALA 293.A N GLU 189.A OE2 no hydrogen 3.046 N/A MET 295.A N THR 291.A O no hydrogen 2.944 N/A MET 295.A N PRO 292.A O no hydrogen 2.935 N/A LEU 296.A N PRO 292.A O no hydrogen 3.051 N/A LEU 296.A N ALA 293.A O no hydrogen 3.241 N/A THR 297.A N ALA 293.A O no hydrogen 2.972 N/A THR 297.A OG1 ALA 293.A O no hydrogen 2.685 N/A ARG 298.A N ALA 157.A O no hydrogen 2.968 N/A TYR 299.A N ALA 285.A O no hydrogen 2.734 N/A MET 300.A N GLN 554.A OE1 no hydrogen 3.054 N/A ASP 301.A N ALA 283.A O no hydrogen 2.867 N/A SER 302.A N GLU 282.A OE2 no hydrogen 2.871 N/A SER 302.A OG GLU 282.A OE1 no hydrogen 2.551 N/A SER 302.A OG GLU 282.A OE2 no hydrogen 3.163 N/A SER 302.A OG SER 550.A O no hydrogen 3.463 N/A GLY 303.A N MET 300.A O no hydrogen 2.783 N/A PHE 304.A N ASP 301.A O no hydrogen 2.799 N/A GLY 305.A N ASP 301.A O no hydrogen 2.891 N/A MET 306.A N PHE 259.A O no hydrogen 3.278 N/A TYR 308.A N ALA 258.A O no hydrogen 2.859 N/A PHE 309.A N GLY 305.A O no hydrogen 2.787 N/A ALA 310.A N GLY 307.A O no hydrogen 2.921 N/A THR 311.A N VAL 370.A O no hydrogen 2.922 N/A THR 311.A OG1 VAL 370.A O no hydrogen 3.308 N/A THR 311.A OG1 THR 372.A OG1 no hydrogen 2.922 N/A LEU 313.A N ASP 342.A O no hydrogen 2.954 N/A ILE 314.A N ASP 318.A OD2 no hydrogen 2.818 N/A ARG 315.A NE ASP 342.A OD1 no hydrogen 3.009 N/A ARG 315.A NH2 ASP 342.A OD1 no hydrogen 3.296 N/A ARG 315.A NH2 ASP 342.A OD2 no hydrogen 3.193 N/A GLY 316.A N CYS 319.A O no hydrogen 2.736 N/A VAL 317.A N ILE 314.A O no hydrogen 2.921 N/A ASP 318.A N ILE 314.A O no hydrogen 2.852 N/A ALA 323.A N PRO 320.A O no hydrogen 2.942 N/A THR 324.A N VAL 346.A O no hydrogen 3.083 N/A TYR 325.A OH PRO 320.A O no hydrogen 2.817 N/A MET 326.A N PHE 344.A O no hydrogen 2.962 N/A TRP 328.A N LEU 340.A O no hydrogen 2.829 N/A PHE 330.A N LYS 338.A O no hydrogen 3.100 N/A GLU 333.A N PHE 40.A O no hydrogen 2.681 N/A SER 334.A OG THR 336.A O no hydrogen 2.953 N/A THR 336.A N SER 334.A OG no hydrogen 3.400 N/A LYS 338.A N PHE 330.A O no hydrogen 2.903 N/A LEU 340.A N TRP 328.A O no hydrogen 2.588 N/A ASP 342.A N ASP 327.A OD1 no hydrogen 2.859 N/A PHE 344.A N MET 326.A O no hydrogen 2.935 N/A CYS 345.A N ARG 368.A O no hydrogen 3.251 N/A VAL 346.A N THR 324.A O no hydrogen 2.853 N/A PHE 347.A N VAL 366.A O no hydrogen 2.996 N/A GLN 349.A N VAL 364.A O no hydrogen 2.729 N/A LYS 351.A N GLN 362.A O no hydrogen 2.526 N/A GLY 352.A N ASN 350.A OD1 no hydrogen 2.927 N/A LEU 355.A N VAL 360.A O no hydrogen 2.937 N/A VAL 360.A N ARG 356.A O no hydrogen 2.915 N/A GLN 362.A NE2 LEU 353.A O no hydrogen 3.113 N/A VAL 364.A N GLN 349.A O no hydrogen 2.892 N/A LEU 365.A N PHE 383.A O no hydrogen 3.222 N/A VAL 366.A N PHE 347.A O no hydrogen 2.595 N/A PHE 367.A N MET 381.A O no hydrogen 3.395 N/A ARG 368.A N CYS 345.A O no hydrogen 2.893 N/A ARG 368.A NE ASP 318.A O no hydrogen 2.872 N/A ARG 368.A NH1 ASP 380.A OD1 no hydrogen 3.245 N/A ARG 368.A NH2 ASP 318.A O no hydrogen 3.200 N/A SER 369.A N TRP 379.A O no hydrogen 3.307 N/A SER 371.A N TYR 377.A O no hydrogen 2.746 N/A SER 371.A OG MET 306.A O no hydrogen 2.659 N/A THR 372.A N PHE 309.A O no hydrogen 2.804 N/A THR 372.A OG1 THR 311.A OG1 no hydrogen 2.922 N/A THR 372.A OG1 ASP 376.A OD1 no hydrogen 2.372 N/A TYR 377.A N SER 371.A O no hydrogen 2.776 N/A VAL 378.A N HIS 394.A O no hydrogen 2.884 N/A TRP 379.A N SER 369.A O no hydrogen 2.799 N/A TRP 379.A NE1 SER 371.A OG no hydrogen 2.765 N/A ASP 380.A N LYS 392.A O no hydrogen 2.653 N/A MET 381.A N PHE 367.A O no hydrogen 3.345 N/A VAL 382.A N GLU 390.A O no hydrogen 2.644 N/A PHE 383.A N LEU 365.A O no hydrogen 2.984 N/A TYR 384.A N ALA 388.A O no hydrogen 2.674 N/A TYR 384.A OH GLU 390.A OE1 no hydrogen 2.392 N/A GLY 387.A N TYR 384.A O no hydrogen 3.005 N/A ALA 388.A N ASN 386.A OD1 no hydrogen 3.296 N/A ILE 389.A N LEU 609.A O no hydrogen 3.003 N/A GLU 390.A N VAL 382.A O no hydrogen 2.703 N/A VAL 391.A N PHE 607.A O no hydrogen 3.201 N/A LYS 392.A N ASP 380.A O no hydrogen 2.648 N/A LYS 392.A NZ GLU 390.A OE2 no hydrogen 2.655 N/A LEU 393.A N VAL 605.A O no hydrogen 2.763 N/A HIS 394.A N VAL 378.A O no hydrogen 3.146 N/A THR 396.A N ASP 376.A O no hydrogen 3.097 N/A THR 396.A OG1 THR 598.A O no hydrogen 2.751 N/A GLY 397.A N THR 598.A O no hydrogen 3.283 N/A TYR 398.A N ASN 375.A O no hydrogen 3.181 N/A SER 401.A OG TYR 182.A O no hydrogen 3.030 N/A ALA 402.A N LEU 420.A O no hydrogen 3.081 N/A LEU 404.A N HIS 418.A O no hydrogen 3.052 N/A ARG 409.A NH2 GLN 414.A OE1 no hydrogen 2.670 N/A ARG 410.A N ALA 407.A O no hydrogen 3.113 N/A ARG 410.A NH2 TYR 411.A OH no hydrogen 3.554 N/A TYR 411.A N ALA 408.A O no hydrogen 2.786 N/A ASN 413.A ND2 PRO 590.A O no hydrogen 2.899 N/A GLN 414.A NE2 GLY 416.A O no hydrogen 2.659 N/A VAL 415.A N THR 419.A O no hydrogen 2.988 N/A THR 419.A N GLY 416.A O no hydrogen 3.434 N/A THR 419.A OG1 LEU 183.A O no hydrogen 3.506 N/A THR 419.A OG1 GLU 417.A O no hydrogen 3.361 N/A LEU 420.A N ALA 402.A O no hydrogen 2.779 N/A GLY 421.A N ASN 413.A O no hydrogen 2.804 N/A VAL 423.A N TYR 411.A O no hydrogen 3.028 N/A HIS 424.A N HIS 588.A O no hydrogen 3.331 N/A HIS 424.A ND1 PRO 422.A O no hydrogen 2.913 N/A THR 425.A N VAL 286.A O no hydrogen 2.898 N/A HIS 426.A N PHE 586.A O no hydrogen 2.976 N/A SER 427.A N GLY 284.A O no hydrogen 3.007 N/A ALA 428.A N ALA 584.A O no hydrogen 2.816 N/A HIS 429.A N GLU 282.A O no hydrogen 2.894 N/A HIS 429.A ND1 SER 548.A OG no hydrogen 2.696 N/A TYR 430.A N VAL 582.A O no hydrogen 2.976 N/A LYS 431.A N SER 279.A O no hydrogen 2.858 N/A LYS 431.A NZ PRO 546.A O no hydrogen 2.893 N/A VAL 432.A N ALA 580.A O no hydrogen 2.587 N/A ASP 433.A N GLU 277.A O no hydrogen 2.930 N/A LEU 434.A N VAL 432.A O no hydrogen 3.048 N/A ASP 435.A N LEU 274.A O no hydrogen 2.658 N/A VAL 436.A N ASN 441.A OD1 no hydrogen 3.030 N/A GLY 438.A N ASP 435.A O no hydrogen 3.156 N/A ASN 441.A N LYS 576.A O no hydrogen 3.050 N/A ASN 441.A ND2 VAL 436.A O no hydrogen 2.751 N/A ASN 441.A ND2 GLY 438.A O no hydrogen 3.410 N/A ASN 441.A ND2 GLU 440.A O no hydrogen 2.855 N/A ASN 441.A ND2 ALA 494.A O no hydrogen 3.508 N/A TRP 442.A N ALA 494.A O no hydrogen 2.869 N/A TRP 444.A N TYR 492.A O no hydrogen 2.889 N/A ALA 445.A N LYS 471.A O no hydrogen 2.827 N/A GLU 446.A N TYR 490.A O no hydrogen 2.748 N/A ASP 447.A N THR 469.A O no hydrogen 2.914 N/A MET 448.A N ASP 447.A OD1 no hydrogen 2.678 N/A ALA 449.A N GLN 467.A O no hydrogen 2.761 N/A VAL 451.A N ARG 465.A O no hydrogen 2.873 N/A THR 453.A N ILE 463.A O no hydrogen 3.122 N/A THR 453.A OG1 VAL 451.A O no hydrogen 2.920 N/A ILE 455.A N HIS 461.A O no hydrogen 2.933 N/A SER 458.A N ILE 455.A O no hydrogen 2.903 N/A SER 458.A OG GLU 460.A OE1 no hydrogen 2.658 N/A HIS 461.A N SER 458.A O no hydrogen 2.944 N/A ILE 463.A N THR 453.A O no hydrogen 2.817 N/A ARG 465.A N VAL 451.A O no hydrogen 2.903 N/A GLN 467.A N ALA 449.A O no hydrogen 2.663 N/A THR 469.A N ASP 447.A O no hydrogen 2.698 N/A LEU 473.A N VAL 443.A O no hydrogen 2.906 N/A GLU 474.A N GLN 478.A OE1 no hydrogen 2.634 N/A GLU 476.A N GLU 571.A O no hydrogen 2.918 N/A GLN 478.A N THR 475.A O no hydrogen 3.115 N/A ALA 479.A N GLU 476.A O no hydrogen 3.000 N/A PHE 481.A N LEU 536.A O no hydrogen 2.927 N/A LEU 483.A N ARG 533.A O no hydrogen 2.544 N/A GLY 485.A N PRO 482.A O no hydrogen 3.343 N/A ARG 489.A NH1 ASP 447.A OD1 no hydrogen 2.850 N/A TYR 490.A N GLU 446.A O no hydrogen 2.856 N/A TYR 492.A N TRP 444.A O no hydrogen 3.088 N/A TYR 492.A OH GLU 446.A OE2 no hydrogen 2.963 N/A LEU 493.A N TYR 507.A O no hydrogen 3.110 N/A ALA 494.A N TRP 442.A O no hydrogen 2.862 N/A SER 495.A N ARG 505.A O no hydrogen 2.727 N/A SER 495.A OG GLN 497.A O no hydrogen 3.183 N/A SER 495.A OG ARG 505.A O no hydrogen 3.216 N/A LYS 496.A NZ GLY 437.A O no hydrogen 2.648 N/A LYS 496.A NZ GLU 440.A O no hydrogen 3.362 N/A SER 498.A OG GLY 502.A O no hydrogen 3.423 N/A ASN 499.A N HIS 503.A O no hydrogen 2.744 N/A ASN 499.A ND2 PHE 615.A O no hydrogen 3.401 N/A LYS 500.A N ASP 616.A OD1 no hydrogen 2.951 N/A TRP 501.A NE1 ASP 616.A O no hydrogen 2.941 N/A GLY 502.A N ASN 499.A O no hydrogen 2.790 N/A HIS 503.A N ASN 499.A OD1 no hydrogen 2.624 N/A ARG 505.A N GLN 497.A O no hydrogen 3.126 N/A ARG 505.A NE PHE 614.A O no hydrogen 2.824 N/A ARG 505.A NH2 GLU 272.A OE1 no hydrogen 3.346 N/A ARG 505.A NH2 PHE 614.A O no hydrogen 3.273 N/A TYR 507.A N LEU 493.A O no hydrogen 3.014 N/A TYR 507.A OH GLY 387.A O no hydrogen 2.684 N/A ARG 508.A N ARG 610.A O no hydrogen 2.685 N/A ILE 509.A N LEU 491.A O no hydrogen 2.954 N/A GLN 510.A N PHE 608.A O no hydrogen 2.931 N/A VAL 512.A N GLY 606.A O no hydrogen 2.927 N/A SER 523.A N PRO 520.A O no hydrogen 3.061 N/A GLU 526.A N SER 523.A O no hydrogen 3.523 N/A ARG 527.A NH2 PRO 524.A O no hydrogen 3.535 N/A ALA 528.A N MET 525.A O no hydrogen 3.363 N/A PHE 529.A N GLU 526.A O no hydrogen 3.069 N/A SER 530.A OG ARG 527.A O no hydrogen 3.347 N/A SER 530.A OG ASP 563.A OD1 no hydrogen 2.605 N/A GLY 532.A N PHE 529.A O no hydrogen 3.085 N/A ARG 533.A N SER 530.A O no hydrogen 3.276 N/A ARG 533.A NE GLU 526.A OE2 no hydrogen 3.272 N/A ARG 533.A NH2 GLU 526.A OE2 no hydrogen 3.204 N/A TYR 534.A N TRP 531.A O no hydrogen 3.489 N/A GLN 535.A N PHE 481.A O no hydrogen 3.103 N/A GLN 535.A NE2 SER 513.A OG no hydrogen 2.312 N/A ALA 537.A N TRP 581.A O no hydrogen 2.755 N/A ILE 538.A N ALA 479.A O no hydrogen 3.224 N/A THR 539.A N VAL 579.A O no hydrogen 2.902 N/A THR 539.A OG1 GLN 540.A O no hydrogen 3.438 N/A GLN 540.A N GLU 476.A OE2 no hydrogen 2.969 N/A GLN 540.A NE2 THR 572.A O no hydrogen 2.779 N/A ARG 541.A N ASP 577.A O no hydrogen 2.559 N/A ARG 541.A NH1 GLU 543.A OE1 no hydrogen 2.715 N/A ARG 541.A NH2 GLU 543.A OE1 no hydrogen 3.475 N/A LYS 542.A NZ GLU 571.A OE1 no hydrogen 3.287 N/A LYS 542.A NZ GLU 571.A OE2 no hydrogen 2.849 N/A GLU 545.A N LYS 542.A O no hydrogen 2.855 N/A SER 547.A OG GLN 281.A OE1 no hydrogen 2.521 N/A SER 547.A OG SER 549.A O no hydrogen 3.024 N/A SER 548.A N GLN 281.A OE1 no hydrogen 3.078 N/A SER 548.A OG HIS 429.A ND1 no hydrogen 2.696 N/A SER 549.A N SER 547.A OG no hydrogen 3.224 N/A SER 549.A OG GLU 282.A OE1 no hydrogen 2.434 N/A PHE 552.A N SER 550.A OG no hydrogen 3.333 N/A ASN 553.A N SER 550.A O no hydrogen 3.196 N/A ASN 553.A ND2 VAL 562.A O no hydrogen 3.031 N/A GLN 554.A NE2 ARG 298.A O no hydrogen 3.107 N/A GLN 554.A NE2 GLN 554.A O no hydrogen 2.827 N/A ASN 555.A ND2 ARG 112.A O no hydrogen 3.199 N/A ASP 556.A N ASN 553.A O no hydrogen 3.044 N/A THR 559.A N ASP 556.A OD1 no hydrogen 3.392 N/A THR 559.A OG1 SER 163.A OG no hydrogen 2.585 N/A THR 561.A N ASN 553.A OD1 no hydrogen 2.941 N/A VAL 562.A N ASN 553.A OD1 no hydrogen 3.099 N/A SER 565.A N SER 530.A OG no hydrogen 3.011 N/A SER 565.A OG ASP 563.A OD1 no hydrogen 3.002 N/A ASP 566.A N ASP 563.A O no hydrogen 2.993 N/A PHE 567.A N PHE 564.A O no hydrogen 2.826 N/A ILE 568.A N SER 565.A O no hydrogen 3.147 N/A ASN 569.A N GLU 476.A OE1 no hydrogen 3.100 N/A ASN 570.A N GLU 477.A OE2 no hydrogen 2.684 N/A THR 572.A OG1 GLU 474.A O no hydrogen 3.406 N/A ILE 573.A N GLU 474.A O no hydrogen 2.825 N/A ALA 574.A N THR 572.A OG1 no hydrogen 3.345 N/A GLY 575.A N ASN 441.A O no hydrogen 3.008 N/A LYS 576.A N ASN 441.A O no hydrogen 3.391 N/A VAL 579.A N THR 539.A O no hydrogen 2.640 N/A ALA 580.A N VAL 432.A O no hydrogen 2.794 N/A TRP 581.A N ALA 537.A O no hydrogen 2.639 N/A TRP 581.A NE1 THR 539.A OG1 no hydrogen 2.918 N/A VAL 582.A N TYR 430.A O no hydrogen 3.055 N/A THR 583.A N GLN 535.A O no hydrogen 3.037 N/A THR 583.A OG1 TRP 531.A O no hydrogen 2.901 N/A THR 583.A OG1 TYR 534.A O no hydrogen 2.859 N/A ALA 584.A N ALA 428.A O no hydrogen 3.082 N/A PHE 586.A N HIS 426.A O no hydrogen 2.972 N/A HIS 588.A N HIS 424.A O no hydrogen 2.896 N/A HIS 588.A NE2 ASP 594.A OD2 no hydrogen 3.101 N/A HIS 591.A N ASP 594.A OD2 no hydrogen 2.816 N/A HIS 591.A ND1 GLU 593.A OE1 no hydrogen 2.960 N/A GLU 593.A N GLU 593.A OE1 no hydrogen 2.624 N/A ASP 594.A N HIS 591.A O no hydrogen 2.825 N/A ILE 595.A N ALA 592.A O no hydrogen 3.069 N/A THR 598.A N GLY 397.A O no hydrogen 2.910 N/A VAL 605.A N LEU 393.A O no hydrogen 3.116 N/A GLY 606.A N VAL 512.A O no hydrogen 2.895 N/A PHE 607.A N VAL 391.A O no hydrogen 3.074 N/A PHE 608.A N GLN 510.A O no hydrogen 2.746 N/A LEU 609.A N ILE 389.A O no hydrogen 2.860 N/A ARG 610.A N ARG 508.A O no hydrogen 3.017 N/A ARG 610.A NE GLN 510.A OE1 no hydrogen 2.623 N/A ARG 610.A NH1 GLN 510.A OE1 no hydrogen 2.555 N/A TYR 612.A N GLY 506.A O no hydrogen 2.805 N/A TYR 612.A OH GLU 446.A OE1 no hydrogen 2.821 N/A