Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wcs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG SER 338.A O no hydrogen 2.770 N/A ALA 5.A N GLU 378.A OE2 no hydrogen 2.992 N/A SER 8.A N ALA 5.A O no hydrogen 2.923 N/A SER 8.A OG ALA 5.A O no hydrogen 3.019 N/A SER 8.A OG GLU 378.A OE1 no hydrogen 2.594 N/A SER 9.A N ARG 374.A O no hydrogen 3.081 N/A ARG 10.A NH1 GLU 342.A OE1 no hydrogen 2.700 N/A ARG 10.A NH2 GLU 342.A OE1 no hydrogen 3.061 N/A ARG 10.A NH2 GLU 342.A OE2 no hydrogen 2.792 N/A VAL 11.A N PHE 372.A O no hydrogen 2.857 N/A LEU 13.A N LEU 370.A O no hydrogen 3.161 N/A PHE 14.A N LEU 370.A O no hydrogen 3.322 N/A LYS 15.A N SER 19.A OG no hydrogen 2.824 N/A ARG 16.A N SER 369.A OG no hydrogen 2.737 N/A ARG 16.A NH1 VAL 367.A O no hydrogen 3.199 N/A LYS 17.A N VAL 35.A O no hydrogen 2.774 N/A LYS 17.A N HIS 36.A O no hydrogen 2.919 N/A SER 19.A N LYS 15.A O no hydrogen 3.315 N/A SER 19.A OG LYS 15.A O no hydrogen 3.143 N/A THR 20.A OG1 GLU 32.A OE2 no hydrogen 2.564 N/A VAL 21.A N ARG 33.A O no hydrogen 3.018 N/A PHE 23.A N ARG 31.A O no hydrogen 2.865 N/A GLU 25.A N THR 29.A O no hydrogen 2.649 N/A GLY 28.A N GLU 25.A O no hydrogen 2.607 N/A THR 29.A N ASN 27.A O no hydrogen 2.711 N/A ARG 31.A N PHE 23.A O no hydrogen 2.713 N/A ARG 31.A NH1 GLU 25.A OE2 no hydrogen 2.636 N/A ARG 33.A N VAL 21.A O no hydrogen 3.185 N/A ARG 33.A NH2 GLU 59.A OE2 no hydrogen 3.007 N/A HIS 36.A N TYR 58.A O no hydrogen 2.679 N/A HIS 36.A ND1 SER 37.A OG no hydrogen 2.791 N/A SER 37.A N ARG 57.A O no hydrogen 3.303 N/A SER 37.A OG HIS 36.A ND1 no hydrogen 2.791 N/A PHE 38.A N TYR 368.A O no hydrogen 2.744 N/A ARG 39.A N ASP 55.A O no hydrogen 3.273 N/A ARG 39.A NE GLU 361.A OE1 no hydrogen 3.122 N/A ARG 39.A NH1 GLU 361.A OE1 no hydrogen 3.372 N/A ARG 39.A NH1 GLU 361.A OE2 no hydrogen 3.312 N/A ILE 40.A N GLU 361.A OE1 no hydrogen 2.864 N/A THR 42.A N ILE 53.A O no hydrogen 3.069 N/A ILE 43.A N SER 348.A OG no hydrogen 2.952 N/A VAL 44.A N VAL 51.A O no hydrogen 3.082 N/A VAL 46.A N VAL 49.A O no hydrogen 2.765 N/A GLY 48.A N ASN 45.A OD1 no hydrogen 2.982 N/A VAL 49.A N VAL 46.A O no hydrogen 2.929 N/A MET 50.A N SER 74.A O no hydrogen 2.977 N/A VAL 51.A N VAL 44.A O no hydrogen 2.936 N/A ALA 52.A N LYS 72.A O no hydrogen 2.915 N/A ILE 53.A N THR 42.A O no hydrogen 2.864 N/A ALA 54.A N ALA 70.A O no hydrogen 3.011 N/A ASP 55.A N ARG 39.A O no hydrogen 2.956 N/A ALA 56.A N GLU 68.A O no hydrogen 2.814 N/A ARG 57.A N SER 37.A O no hydrogen 2.916 N/A ARG 57.A NE ASP 55.A OD2 no hydrogen 3.048 N/A ARG 57.A NH1 SER 61.A O no hydrogen 3.085 N/A ARG 57.A NH1 ASP 63.A OD2 no hydrogen 3.036 N/A ARG 57.A NH2 ASP 55.A OD2 no hydrogen 2.796 N/A ARG 57.A NH2 ASP 63.A OD2 no hydrogen 3.229 N/A TYR 58.A N PHE 66.A O no hydrogen 3.007 N/A TYR 58.A OH GLU 68.A OE1 no hydrogen 3.067 N/A SER 61.A OG ASP 366.A O no hydrogen 2.802 N/A PHE 62.A N THR 60.A OG1 no hydrogen 2.768 N/A SER 65.A OG THR 60.A O no hydrogen 3.251 N/A SER 65.A OG PHE 62.A O no hydrogen 2.139 N/A GLU 68.A N ALA 56.A O no hydrogen 3.228 N/A THR 69.A N ILE 87.A O no hydrogen 3.140 N/A ALA 70.A N ALA 54.A O no hydrogen 2.599 N/A VAL 71.A N GLN 84.A O no hydrogen 3.105 N/A LYS 72.A N ALA 52.A O no hydrogen 2.987 N/A LYS 72.A NZ THR 83.A OG1 no hydrogen 2.420 N/A TYR 73.A N ASN 82.A O no hydrogen 2.800 N/A SER 74.A N MET 50.A O no hydrogen 3.098 N/A SER 74.A OG ASP 76.A OD1 no hydrogen 3.123 N/A SER 74.A OG THR 80.A O no hydrogen 2.936 N/A ASP 76.A N SER 74.A OG no hydrogen 3.211 N/A GLY 78.A N SER 74.A OG no hydrogen 2.856 N/A ALA 79.A N ASP 76.A O no hydrogen 3.213 N/A THR 80.A N ASP 76.A OD1 no hydrogen 2.653 N/A THR 80.A OG1 ASP 76.A OD1 no hydrogen 3.208 N/A THR 80.A OG1 ASP 76.A OD2 no hydrogen 2.909 N/A TRP 81.A NE1 GLY 78.A O no hydrogen 2.877 N/A ASN 82.A N TYR 73.A O no hydrogen 2.753 N/A GLN 84.A N VAL 71.A O no hydrogen 2.657 N/A GLN 84.A NE2 ILE 155.A O no hydrogen 3.097 N/A ALA 86.A N THR 69.A O no hydrogen 2.828 N/A ILE 87.A N THR 69.A O no hydrogen 3.391 N/A LYS 88.A NZ ILE 85.A O no hydrogen 2.828 N/A ASN 89.A N GLU 68.A OE2 no hydrogen 2.826 N/A SER 90.A OG ASN 118.A OD1 no hydrogen 2.563 N/A ARG 91.A NE GLU 68.A OE2 no hydrogen 3.195 N/A ARG 91.A NH1 GLU 24.A O no hydrogen 2.715 N/A ARG 91.A NH1 GLU 68.A OE2 no hydrogen 3.254 N/A ARG 91.A NH2 GLU 24.A O no hydrogen 2.736 N/A ALA 92.A N SER 96.A OG no hydrogen 2.830 N/A SER 93.A N SER 96.A OG no hydrogen 2.970 N/A SER 93.A OG SER 96.A OG no hydrogen 3.305 N/A SER 93.A OG ASN 118.A O no hydrogen 2.629 N/A VAL 95.A N SER 93.A OG no hydrogen 2.910 N/A SER 96.A OG SER 93.A OG no hydrogen 3.305 N/A SER 96.A OG ASN 118.A O no hydrogen 2.541 N/A ARG 97.A N PHE 117.A O no hydrogen 3.139 N/A ARG 97.A NH1 VAL 95.A O no hydrogen 2.923 N/A ARG 97.A NH1 THR 120.A O no hydrogen 2.929 N/A ARG 97.A NH2 THR 120.A O no hydrogen 3.256 N/A ARG 97.A NH2 THR 120.A OG1 no hydrogen 3.019 N/A VAL 98.A N ILE 67.A O no hydrogen 3.243 N/A VAL 99.A N GLY 115.A O no hydrogen 3.000 N/A THR 102.A N LEU 113.A O no hydrogen 2.980 N/A THR 102.A OG1 ASP 100.A O no hydrogen 3.275 N/A VAL 103.A N GLY 184.A O no hydrogen 2.869 N/A ILE 104.A N TYR 111.A O no hydrogen 2.774 N/A LYS 106.A N LYS 109.A O no hydrogen 3.207 N/A LYS 106.A NZ GLY 192.A O no hydrogen 2.799 N/A LYS 106.A NZ ASP 217.A OD2 no hydrogen 2.872 N/A LYS 109.A N LYS 106.A O no hydrogen 3.298 N/A LYS 109.A NZ ASN 108.A OD1 no hydrogen 3.245 N/A LEU 110.A N GLY 140.A O no hydrogen 2.597 N/A TYR 111.A N ILE 104.A O no hydrogen 2.765 N/A ILE 112.A N VAL 138.A O no hydrogen 3.068 N/A LEU 113.A N THR 102.A O no hydrogen 2.993 N/A VAL 114.A N LEU 136.A O no hydrogen 3.145 N/A GLY 115.A N VAL 99.A O no hydrogen 2.983 N/A PHE 117.A N ARG 97.A O no hydrogen 2.966 N/A ASN 118.A N ASP 132.A O no hydrogen 3.243 N/A ASN 118.A N ASP 132.A OD1 no hydrogen 3.227 N/A ASN 118.A N ASP 132.A OD2 no hydrogen 2.998 N/A LYS 119.A N ASP 132.A OD1 no hydrogen 2.691 N/A LYS 119.A N ASP 132.A OD2 no hydrogen 3.016 N/A THR 120.A N ASP 132.A OD2 no hydrogen 2.876 N/A THR 120.A OG1 ASP 132.A OD2 no hydrogen 2.393 N/A GLN 126.A N TYR 123.A O no hydrogen 3.035 N/A HIS 127.A N TRP 124.A O no hydrogen 3.318 N/A SER 131.A N ASP 129.A OD1 no hydrogen 3.244 N/A SER 131.A OG ASP 129.A OD1 no hydrogen 2.572 N/A SER 131.A OG ASP 129.A OD2 no hydrogen 3.449 N/A TRP 133.A NE1 PHE 179.A O no hydrogen 3.041 N/A GLU 134.A N SER 116.A O no hydrogen 2.841 N/A LEU 136.A N VAL 114.A O no hydrogen 2.994 N/A LEU 137.A N VAL 161.A O no hydrogen 2.987 N/A VAL 138.A N ILE 112.A O no hydrogen 3.068 N/A GLY 140.A N LEU 110.A O no hydrogen 2.654 N/A GLU 141.A N SER 156.A O no hydrogen 2.857 N/A VAL 142.A N ASN 108.A O no hydrogen 2.891 N/A THR 143.A N THR 154.A O no hydrogen 3.007 N/A LYS 144.A NZ ASP 47.A O no hydrogen 2.548 N/A SER 145.A N THR 152.A O no hydrogen 2.829 N/A SER 145.A OG THR 152.A OG1 no hydrogen 2.997 N/A ALA 147.A N LYS 150.A O no hydrogen 2.728 N/A LYS 150.A NZ ASN 148.A O no hydrogen 2.596 N/A THR 152.A N SER 145.A O no hydrogen 2.623 N/A THR 152.A OG1 SER 145.A O no hydrogen 3.413 N/A THR 154.A N THR 143.A O no hydrogen 2.969 N/A SER 156.A N GLU 141.A O no hydrogen 2.818 N/A TRP 157.A NE1 GLN 84.A OE1 no hydrogen 2.585 N/A GLY 158.A N VAL 139.A O no hydrogen 2.888 N/A VAL 161.A N LEU 137.A O no hydrogen 2.913 N/A LEU 163.A N PRO 135.A O no hydrogen 2.863 N/A LYS 164.A N SER 162.A OG no hydrogen 3.138 N/A LYS 164.A NZ TRP 133.A O no hydrogen 3.308 N/A LEU 166.A N LEU 163.A O no hydrogen 2.933 N/A PHE 167.A N LYS 164.A O no hydrogen 2.820 N/A PHE 171.A N ILE 174.A O no hydrogen 2.698 N/A THR 176.A N ALA 169.A O no hydrogen 3.063 N/A THR 176.A OG1 PRO 168.A O no hydrogen 2.511 N/A LYS 177.A N ALA 201.A O no hydrogen 3.069 N/A LYS 177.A NZ THR 125.A O no hydrogen 3.260 N/A LYS 177.A NZ HIS 127.A O no hydrogen 2.603 N/A LYS 177.A NZ MET 203.A O no hydrogen 2.733 N/A VAL 180.A N GLN 199.A O no hydrogen 3.064 N/A VAL 183.A N THR 102.A OG1 no hydrogen 2.858 N/A GLY 184.A N PRO 101.A O no hydrogen 3.104 N/A ALA 186.A N VAL 103.A O no hydrogen 2.698 N/A ALA 189.A N ASN 193.A O no hydrogen 2.739 N/A SER 190.A N GLU 239.A OE1 no hydrogen 3.460 N/A SER 190.A OG GLU 239.A OE1 no hydrogen 2.923 N/A GLY 192.A N ALA 189.A O no hydrogen 2.852 N/A LEU 194.A N SER 214.A O no hydrogen 2.871 N/A VAL 195.A N ILE 187.A O no hydrogen 3.160 N/A TYR 196.A N MET 212.A O no hydrogen 2.643 N/A VAL 198.A N LYS 210.A O no hydrogen 3.090 N/A GLN 199.A N VAL 180.A O no hydrogen 2.701 N/A ILE 200.A N PHE 208.A O no hydrogen 2.794 N/A ALA 201.A N GLU 178.A O no hydrogen 3.040 N/A ASP 202.A N ARG 206.A O no hydrogen 3.211 N/A MET 203.A N LEU 175.A O no hydrogen 2.924 N/A GLY 205.A N ASP 202.A O no hydrogen 3.122 N/A PHE 208.A N ILE 200.A O no hydrogen 3.045 N/A THR 209.A N SER 228.A OG no hydrogen 2.852 N/A THR 209.A OG1 SER 228.A OG no hydrogen 2.897 N/A THR 209.A OG1 ASN 248.A OD1 no hydrogen 2.665 N/A LYS 210.A N VAL 198.A O no hydrogen 3.133 N/A LYS 210.A NZ ALA 224.A O no hydrogen 2.882 N/A LYS 210.A NZ GLU 225.A O no hydrogen 2.789 N/A LYS 210.A NZ GLY 226.A O no hydrogen 2.777 N/A MET 212.A N TYR 196.A O no hydrogen 2.889 N/A TYR 213.A N LYS 222.A O no hydrogen 3.089 N/A SER 214.A N LEU 194.A O no hydrogen 2.794 N/A SER 214.A OG THR 220.A O no hydrogen 2.398 N/A ASP 216.A N SER 214.A OG no hydrogen 3.242 N/A ASN 219.A N ASP 217.A O no hydrogen 2.407 N/A THR 220.A N ASP 216.A OD1 no hydrogen 3.129 N/A THR 220.A N ASP 216.A OD2 no hydrogen 2.731 N/A THR 220.A OG1 ASP 216.A OD1 no hydrogen 2.811 N/A THR 220.A OG1 ASP 216.A OD2 no hydrogen 3.415 N/A LYS 222.A N TYR 213.A O no hydrogen 3.182 N/A ALA 224.A N ILE 211.A O no hydrogen 2.698 N/A GLY 226.A N GLY 264.A O no hydrogen 2.838 N/A SER 228.A OG THR 209.A OG1 no hydrogen 2.897 N/A SER 228.A OG LYS 229.A O no hydrogen 2.971 N/A LYS 229.A N TYR 258.A OH no hydrogen 2.998 N/A GLY 231.A N VAL 207.A O no hydrogen 2.688 N/A CYS 232.A SG LYS 229.A O no hydrogen 3.219 N/A SER 233.A N ARG 249.A O no hydrogen 2.761 N/A ALA 236.A N ASN 247.A O no hydrogen 2.778 N/A TRP 240.A N LYS 243.A O no hydrogen 2.910 N/A LYS 243.A N TRP 240.A O no hydrogen 2.961 N/A LEU 244.A N SER 260.A O no hydrogen 3.058 N/A ILE 245.A N LEU 238.A O no hydrogen 3.084 N/A ILE 246.A N TYR 258.A O no hydrogen 2.743 N/A ASN 247.A N ALA 236.A O no hydrogen 3.026 N/A ASN 248.A N LEU 256.A O no hydrogen 3.227 N/A ASN 248.A ND2 LEU 256.A O no hydrogen 3.126 N/A ARG 249.A N SER 233.A O no hydrogen 2.842 N/A ARG 249.A NE ASP 251.A OD2 no hydrogen 3.181 N/A ARG 249.A NH1 GLU 234.A OE1 no hydrogen 2.636 N/A ARG 249.A NH2 ASP 251.A OD2 no hydrogen 3.554 N/A VAL 250.A N ASP 288.A OD2 no hydrogen 3.319 N/A TYR 252.A N GLN 286.A O no hydrogen 3.015 N/A ASN 253.A N VAL 250.A O no hydrogen 3.420 N/A ARG 254.A NE HIS 276.A O no hydrogen 2.635 N/A ARG 254.A NH1 HIS 276.A O no hydrogen 3.196 N/A ARG 254.A NH1 VAL 277.A O no hydrogen 3.287 N/A ARG 254.A NH1 GLN 469.A O no hydrogen 2.883 N/A ARG 255.A N TRP 278.A O no hydrogen 2.679 N/A ARG 255.A NE ASN 247.A OD1 no hydrogen 2.870 N/A ARG 255.A NH1 ASN 247.A OD1 no hydrogen 3.003 N/A ARG 255.A NH2 ASP 288.A OD1 no hydrogen 3.325 N/A ARG 255.A NH2 CYS 289.A O no hydrogen 2.674 N/A VAL 257.A N SER 275.A OG no hydrogen 2.815 N/A TYR 258.A N ILE 246.A O no hydrogen 3.089 N/A GLU 259.A N VAL 268.A O no hydrogen 2.686 N/A SER 260.A N LEU 244.A O no hydrogen 2.907 N/A SER 260.A OG ASP 262.A OD2 no hydrogen 3.013 N/A SER 260.A OG THR 266.A O no hydrogen 3.169 N/A GLY 264.A N SER 260.A OG no hydrogen 2.981 N/A THR 266.A N ASP 262.A OD2 no hydrogen 2.912 N/A THR 266.A OG1 ASP 262.A OD1 no hydrogen 2.459 N/A VAL 268.A N GLU 259.A O no hydrogen 3.119 N/A ALA 270.A N VAL 257.A O no hydrogen 2.604 N/A LEU 271.A N GLU 269.A O no hydrogen 2.749 N/A THR 273.A OG1 GLU 259.A OE1 no hydrogen 2.939 N/A SER 275.A N ALA 270.A O no hydrogen 2.728 N/A SER 275.A OG VAL 257.A O no hydrogen 3.548 N/A SER 275.A OG GLU 269.A OE2 no hydrogen 2.746 N/A HIS 276.A N ARG 255.A O no hydrogen 3.043 N/A VAL 277.A N LEU 274.A O no hydrogen 3.164 N/A THR 279.A OG1 SER 284.A OG no hydrogen 2.427 N/A ASN 280.A N THR 279.A OG1 no hydrogen 2.589 N/A SER 281.A OG THR 283.A OG1 no hydrogen 3.354 N/A THR 283.A N SER 281.A OG no hydrogen 3.284 N/A THR 283.A OG1 SER 281.A OG no hydrogen 3.354 N/A THR 283.A OG1 ASN 285.A OD1 no hydrogen 2.724 N/A SER 284.A N SER 281.A O no hydrogen 2.706 N/A SER 284.A OG THR 279.A OG1 no hydrogen 2.427 N/A GLN 286.A NE2 ASN 285.A O no hydrogen 2.940 N/A GLN 286.A NE2 ASN 285.A OD1 no hydrogen 3.160 N/A ASP 288.A N ASP 251.A OD2 no hydrogen 2.811 N/A CYS 289.A N ASP 288.A OD1 no hydrogen 2.503 N/A CYS 289.A SG GLN 290.A O no hydrogen 3.525 N/A GLN 290.A NE2 SER 347.A O no hydrogen 3.048 N/A SER 291.A OG THR 307.A O no hydrogen 2.895 N/A SER 292.A N THR 307.A OG1 no hydrogen 3.012 N/A SER 292.A OG THR 307.A OG1 no hydrogen 2.547 N/A VAL 294.A N LEU 305.A O no hydrogen 3.304 N/A VAL 296.A N VAL 303.A O no hydrogen 3.348 N/A ILE 298.A N LYS 301.A O no hydrogen 2.692 N/A LYS 301.A N ILE 298.A O no hydrogen 2.802 N/A ARG 302.A NH1 THR 297.A OG1 no hydrogen 2.274 N/A VAL 303.A N VAL 296.A O no hydrogen 2.938 N/A MET 304.A N THR 326.A O no hydrogen 2.768 N/A LEU 305.A N VAL 294.A O no hydrogen 3.053 N/A PHE 306.A N TRP 324.A O no hydrogen 3.065 N/A THR 307.A OG1 SER 292.A OG no hydrogen 2.547 N/A THR 307.A OG1 SER 347.A OG no hydrogen 2.789 N/A HIS 308.A N HIS 322.A O no hydrogen 3.067 N/A HIS 308.A ND1 SER 291.A OG no hydrogen 2.620 N/A LEU 310.A N ARG 320.A O no hydrogen 2.522 N/A ASN 311.A N ASP 319.A O no hydrogen 2.908 N/A ASN 311.A ND2 ASN 280.A O no hydrogen 3.488 N/A ASN 311.A ND2 ARG 315.A O no hydrogen 3.335 N/A LEU 312.A N ASP 319.A OD1 no hydrogen 3.032 N/A LYS 313.A NZ ASN 343.A OD1 no hydrogen 3.291 N/A ARG 315.A N GLN 286.A OE1 no hydrogen 2.859 N/A ARG 318.A N ASN 311.A OD1 no hydrogen 2.698 N/A ARG 318.A NE ASP 288.A O no hydrogen 3.298 N/A ARG 318.A NH2 ASP 288.A O no hydrogen 2.825 N/A ARG 320.A NH1 ASP 319.A OD1 no hydrogen 3.429 N/A LEU 321.A N SER 338.A OG no hydrogen 3.070 N/A HIS 322.A N HIS 308.A O no hydrogen 2.924 N/A HIS 322.A ND1 ASP 333.A OD1 no hydrogen 3.248 N/A LEU 323.A N GLY 335.A O no hydrogen 3.241 N/A TRP 324.A N PHE 306.A O no hydrogen 2.879 N/A MET 325.A N PHE 332.A O no hydrogen 2.733 N/A THR 326.A N MET 304.A O no hydrogen 2.936 N/A THR 326.A OG1 ARG 330.A O no hydrogen 3.297 N/A ASP 327.A N ARG 330.A O no hydrogen 3.296 N/A ASN 328.A N THR 326.A OG1 no hydrogen 2.820 N/A ARG 330.A N ASP 327.A OD2 no hydrogen 3.163 N/A ARG 330.A NH2 ASP 393.A OD2 no hydrogen 3.246 N/A PHE 332.A N MET 325.A O no hydrogen 2.562 N/A VAL 334.A N LEU 323.A O no hydrogen 3.019 N/A GLY 335.A N ASP 333.A OD1 no hydrogen 2.760 N/A ILE 337.A N LEU 321.A O no hydrogen 2.922 N/A ILE 339.A N GLU 342.A OE1 no hydrogen 2.767 N/A GLY 340.A N SER 3.A OG no hydrogen 3.053 N/A SER 344.A N ARG 318.A O no hydrogen 2.875 N/A SER 344.A OG ARG 318.A O no hydrogen 2.915 N/A TYR 346.A N GLU 361.A OE2 no hydrogen 3.040 N/A TYR 346.A OH GLU 234.A OE2 no hydrogen 2.632 N/A SER 347.A N GLN 290.A OE1 no hydrogen 2.774 N/A SER 347.A OG THR 307.A OG1 no hydrogen 2.789 N/A SER 348.A N LEU 359.A O no hydrogen 2.591 N/A SER 348.A OG ILE 43.A O no hydrogen 3.305 N/A LEU 350.A N TYR 357.A O no hydrogen 2.509 N/A TYR 351.A OH ASP 354.A OD2 no hydrogen 2.594 N/A LYS 352.A N LYS 355.A O no hydrogen 3.131 N/A LYS 352.A NZ ASP 77.A OD2 no hydrogen 2.437 N/A LYS 352.A NZ ASP 353.A OD2 no hydrogen 2.748 N/A LYS 355.A N LYS 352.A O no hydrogen 2.867 N/A TYR 357.A N LEU 350.A O no hydrogen 2.623 N/A SER 358.A N VAL 373.A O no hydrogen 3.287 N/A SER 358.A OG SER 348.A O no hydrogen 2.887 N/A LEU 359.A N SER 348.A O no hydrogen 2.866 N/A HIS 360.A N VAL 371.A O no hydrogen 3.281 N/A HIS 360.A ND1 GLU 361.A O no hydrogen 2.782 N/A GLU 361.A N TYR 346.A O no hydrogen 2.785 N/A ILE 362.A N SER 369.A O no hydrogen 2.930 N/A ASN 363.A N ASN 343.A O no hydrogen 2.744 N/A THR 364.A N VAL 367.A O no hydrogen 3.016 N/A THR 364.A OG1 ASN 363.A O no hydrogen 3.236 N/A VAL 367.A N THR 364.A O no hydrogen 3.109 N/A TYR 368.A N SER 37.A OG no hydrogen 3.091 N/A SER 369.A N ILE 362.A O no hydrogen 3.068 N/A SER 369.A OG GLU 12.A OE1 no hydrogen 2.795 N/A SER 369.A OG PHE 14.A O no hydrogen 3.292 N/A LEU 370.A N PHE 14.A O no hydrogen 3.004 N/A VAL 371.A N HIS 360.A O no hydrogen 2.864 N/A PHE 372.A N VAL 11.A O no hydrogen 2.733 N/A VAL 373.A N SER 358.A O no hydrogen 3.057 N/A ARG 374.A N SER 9.A O no hydrogen 2.663 N/A ARG 374.A NH1 ASP 77.A O no hydrogen 3.210 N/A ARG 374.A NH2 ASP 77.A O no hydrogen 2.373 N/A LEU 375.A N LEU 356.A O no hydrogen 2.900 N/A GLY 377.A N SER 8.A OG no hydrogen 2.774 N/A GLU 378.A N GLU 378.A OE1 no hydrogen 2.414 N/A LEU 381.A N GLY 377.A O no hydrogen 3.080 N/A MET 382.A N GLU 378.A O no hydrogen 3.140 N/A LYS 383.A N LEU 379.A O no hydrogen 2.625 N/A LYS 383.A NZ ASP 354.A OD1 no hydrogen 2.687 N/A LYS 383.A NZ ASP 354.A OD2 no hydrogen 3.214 N/A SER 384.A N GLN 380.A O no hydrogen 2.783 N/A VAL 385.A N LEU 381.A O no hydrogen 3.489 N/A VAL 386.A N MET 382.A O no hydrogen 3.140 N/A ARG 387.A N LYS 383.A O no hydrogen 3.364 N/A THR 388.A N SER 384.A O no hydrogen 3.321 N/A THR 388.A OG1 SER 384.A O no hydrogen 3.566 N/A TRP 389.A N VAL 385.A O no hydrogen 3.046 N/A TRP 389.A NE1 TYR 434.A O no hydrogen 2.625 N/A LYS 390.A N VAL 386.A O no hydrogen 2.584 N/A LYS 390.A NZ GLU 299.A OE2 no hydrogen 3.478 N/A GLU 391.A N ARG 387.A O no hydrogen 2.754 N/A GLU 392.A N THR 388.A O no hydrogen 2.764 N/A ASP 393.A N TRP 389.A O no hydrogen 2.837 N/A ASN 394.A N LYS 390.A O no hydrogen 3.087 N/A HIS 395.A N GLU 391.A O no hydrogen 2.790 N/A LEU 396.A N ASP 393.A O no hydrogen 3.054 N/A ALA 397.A N ASP 393.A O no hydrogen 3.158 N/A SER 398.A OG ASN 394.A O no hydrogen 3.513 N/A CYS 400.A SG THR 401.A O no hydrogen 3.916 N/A CYS 400.A SG ALA 407.A O no hydrogen 3.905 N/A THR 401.A OG1 ALA 410.A O no hydrogen 2.808 N/A GLY 409.A N THR 401.A O no hydrogen 3.458 N/A LEU 417.A N THR 414.A O no hydrogen 2.854 N/A VAL 418.A N LEU 605.A O no hydrogen 2.779 N/A GLY 419.A N LEU 605.A O no hydrogen 3.162 N/A LEU 421.A N VAL 603.A O no hydrogen 2.997 N/A SER 422.A OG ASN 449.A OD1 no hydrogen 2.809 N/A SER 422.A OG THR 627.A OG1 no hydrogen 3.094 N/A ASN 426.A N VAL 429.A O no hydrogen 2.547 N/A VAL 429.A N ASN 426.A O no hydrogen 2.708 N/A TRP 430.A NE1 SER 422.A O no hydrogen 2.908 N/A GLU 431.A N SER 424.A O no hydrogen 3.274 N/A ASP 432.A N ASP 438.A OD1 no hydrogen 2.967 N/A VAL 433.A N PHE 420.A O no hydrogen 2.930 N/A TYR 434.A N ASP 432.A OD1 no hydrogen 2.756 N/A TYR 434.A OH ASP 393.A OD1 no hydrogen 3.091 N/A ARG 435.A N ASP 432.A O no hydrogen 3.235 N/A ARG 435.A NH1 SER 384.A OG no hydrogen 2.727 N/A CYS 436.A N ASP 432.A OD2 no hydrogen 3.090 N/A CYS 436.A SG TYR 434.A O no hydrogen 3.375 N/A VAL 437.A N ASP 432.A OD2 no hydrogen 3.008 N/A ALA 439.A N TRP 430.A O no hydrogen 3.370 N/A ASN 440.A N VAL 461.A O no hydrogen 3.363 N/A VAL 441.A N SER 428.A O no hydrogen 2.748 N/A ASN 443.A ND2 VAL 456.A O no hydrogen 2.940 N/A ARG 446.A NH2 HIS 423.A O no hydrogen 3.485 N/A VAL 447.A N GLY 450.A O no hydrogen 3.371 N/A GLY 450.A N VAL 447.A O no hydrogen 2.789 N/A LEU 451.A N VAL 600.A O no hydrogen 3.073 N/A LYS 452.A N GLU 445.A O no hydrogen 2.758 N/A PHE 453.A N VAL 598.A O no hydrogen 3.236 N/A ASN 454.A N ASN 443.A O no hydrogen 2.672 N/A ALA 460.A N ILE 584.A O no hydrogen 2.766 N/A VAL 461.A N ASN 440.A O no hydrogen 3.286 N/A TRP 462.A N PHE 582.A O no hydrogen 3.282 N/A VAL 464.A N SER 580.A O no hydrogen 3.056 N/A ALA 465.A N SER 580.A O no hydrogen 2.899 N/A ARG 466.A N SER 580.A O no hydrogen 2.974 N/A ARG 466.A NE GLU 504.A OE1 no hydrogen 3.136 N/A GLN 467.A NE2 PRO 463.A O no hydrogen 2.749 N/A GLY 468.A N ALA 465.A O no hydrogen 3.224 N/A GLN 469.A NE2 LEU 310.A O no hydrogen 2.906 N/A ARG 471.A N VAL 277.A O no hydrogen 3.019 N/A ARG 472.A N GLN 467.A OE1 no hydrogen 3.060 N/A ARG 472.A NH2 ILE 331.A O no hydrogen 3.457 N/A ARG 472.A NH2 CYS 436.A O no hydrogen 2.732 N/A GLN 474.A N ARG 471.A O no hydrogen 3.110 N/A ALA 476.A N TYR 473.A O no hydrogen 2.842 N/A ASN 477.A N GLN 474.A O no hydrogen 3.040 N/A ASN 477.A ND2 GLN 474.A O no hydrogen 3.069 N/A TYR 478.A N PHE 475.A O no hydrogen 2.998 N/A ARG 479.A N PHE 475.A O no hydrogen 3.360 N/A ARG 479.A NE ASN 607.A O no hydrogen 2.819 N/A PHE 480.A N MET 549.A O no hydrogen 2.901 N/A THR 481.A N TYR 606.A O no hydrogen 3.200 N/A THR 481.A OG1 ARG 608.A O no hydrogen 2.370 N/A LEU 482.A N LEU 547.A O no hydrogen 2.772 N/A VAL 483.A N VAL 604.A O no hydrogen 3.124 N/A ALA 484.A N VAL 545.A O no hydrogen 3.051 N/A THR 485.A N THR 601.A O no hydrogen 3.130 N/A VAL 486.A N TYR 543.A O no hydrogen 2.860 N/A THR 487.A N THR 599.A O no hydrogen 2.968 N/A ASP 489.A N ARG 597.A O no hydrogen 2.754 N/A SER 496.A N TYR 516.A O no hydrogen 3.252 N/A SER 496.A OG ASP 595.A O no hydrogen 3.067 N/A SER 496.A OG SER 596.A OG no hydrogen 3.413 N/A LEU 499.A N LEU 514.A O no hydrogen 3.380 N/A ALA 501.A N LEU 512.A O no hydrogen 2.922 N/A LEU 503.A N ALA 509.A O no hydrogen 2.711 N/A LYS 510.A NZ ASP 508.A O no hydrogen 2.627 N/A LEU 511.A N ALA 501.A O no hydrogen 2.905 N/A LEU 514.A N LEU 499.A O no hydrogen 2.954 N/A SER 515.A N ARG 523.A O no hydrogen 2.704 N/A TYR 516.A N SER 496.A O no hydrogen 3.372 N/A ASP 517.A N GLN 521.A O no hydrogen 3.479 N/A LYS 518.A N GLY 494.A O no hydrogen 3.101 N/A ASN 519.A N ASP 517.A OD1 no hydrogen 2.830 N/A GLN 521.A N ASP 517.A OD1 no hydrogen 3.234 N/A TRP 522.A N THR 534.A O no hydrogen 2.580 N/A ARG 523.A N SER 515.A O no hydrogen 3.077 N/A ARG 523.A NE ASP 517.A OD2 no hydrogen 3.122 N/A ARG 523.A NH1 ALA 531.A O no hydrogen 3.110 N/A LEU 525.A N GLY 513.A O no hydrogen 2.757 N/A TYR 526.A OH ALA 564.A O no hydrogen 3.318 N/A SER 536.A OG TRP 537.A O no hydrogen 3.433 N/A TRP 537.A NE1 GLN 521.A O no hydrogen 2.782 N/A HIS 540.A N ILE 488.A O no hydrogen 2.804 N/A HIS 540.A NE2 ASP 489.A O no hydrogen 2.798 N/A LYS 541.A N GLU 538.A O no hydrogen 3.332 N/A HIS 544.A N ASP 559.A OD1 no hydrogen 3.175 N/A VAL 545.A N ALA 484.A O no hydrogen 2.802 N/A VAL 546.A N TYR 557.A O no hydrogen 3.006 N/A LEU 547.A N LEU 482.A O no hydrogen 2.810 N/A THR 548.A N SER 555.A O no hydrogen 3.454 N/A MET 549.A N PHE 480.A O no hydrogen 2.876 N/A ALA 550.A N GLN 553.A O no hydrogen 3.190 N/A GLN 553.A N ALA 550.A O no hydrogen 2.714 N/A GLY 554.A N ASN 568.A O no hydrogen 2.901 N/A SER 555.A N THR 548.A O no hydrogen 3.365 N/A VAL 558.A N GLN 561.A O no hydrogen 3.136 N/A ASP 559.A N HIS 544.A O no hydrogen 2.947 N/A LEU 563.A N VAL 556.A O no hydrogen 2.759 N/A SER 566.A OG LEU 563.A O no hydrogen 2.712 N/A GLY 567.A N GLY 554.A O no hydrogen 2.953 N/A ASN 568.A N GLY 554.A O no hydrogen 3.390 N/A VAL 570.A N ARG 552.A O no hydrogen 3.077 N/A ILE 579.A N ASN 477.A OD1 no hydrogen 2.797 N/A SER 580.A N GLY 502.A O no hydrogen 2.517 N/A SER 580.A OG GLY 502.A O no hydrogen 2.701 N/A SER 580.A OG LEU 503.A O no hydrogen 3.202 N/A PHE 582.A N TRP 462.A O no hydrogen 3.136 N/A TYR 583.A N GLY 500.A O no hydrogen 3.089 N/A ILE 584.A N ALA 460.A O no hydrogen 3.219 N/A GLY 585.A N LEU 498.A O no hydrogen 3.022 N/A LYS 590.A NZ GLY 507.A O no hydrogen 2.919 N/A SER 596.A OG SER 496.A OG no hydrogen 3.413 N/A THR 599.A N THR 487.A O no hydrogen 2.733 N/A THR 599.A OG1 ASP 489.A OD1 no hydrogen 3.363 N/A THR 599.A OG1 ASP 489.A OD2 no hydrogen 3.297 N/A VAL 600.A N LEU 451.A O no hydrogen 3.280 N/A THR 601.A N THR 485.A O no hydrogen 3.066 N/A ASN 602.A N ASN 449.A O no hydrogen 3.017 N/A VAL 603.A N LEU 421.A O no hydrogen 2.996 N/A VAL 604.A N VAL 483.A O no hydrogen 3.075 N/A TYR 606.A N THR 481.A O no hydrogen 3.076 N/A TYR 606.A OH PRO 413.A O no hydrogen 2.879 N/A ASN 607.A N GLY 416.A O no hydrogen 3.054 N/A ASN 607.A ND2 GLY 272.A O no hydrogen 3.304 N/A ARG 608.A NE ALA 415.A O no hydrogen 2.955 N/A ARG 608.A NH1 ARG 609.A O no hydrogen 3.491 N/A ARG 608.A NH1 GLU 614.A OE1 no hydrogen 2.980 N/A ARG 608.A NH2 ALA 415.A O no hydrogen 2.822 N/A ARG 608.A NH2 GLU 614.A OE1 no hydrogen 3.290 N/A ARG 608.A NH2 GLU 614.A OE2 no hydrogen 3.315 N/A ARG 609.A NH1 LEU 610.A O no hydrogen 3.400 N/A ARG 609.A NH2 TYR 557.A OH no hydrogen 3.426 N/A LEU 610.A N THR 481.A OG1 no hydrogen 3.281 N/A ASN 611.A N GLU 614.A OE1 no hydrogen 3.219 N/A GLU 614.A N ASN 611.A O no hydrogen 2.884 N/A GLU 614.A N ASN 611.A OD1 no hydrogen 2.650 N/A ILE 615.A N ASN 611.A O no hydrogen 2.765 N/A ARG 616.A N SER 612.A O no hydrogen 3.245 N/A THR 617.A OG1 SER 613.A O no hydrogen 2.482 N/A LEU 618.A N GLU 614.A O no hydrogen 3.062 N/A PHE 619.A N ILE 615.A O no hydrogen 3.200 N/A LEU 620.A N THR 617.A O no hydrogen 2.862 N/A SER 621.A N LEU 618.A O no hydrogen 3.389 N/A SER 621.A OG THR 617.A O no hydrogen 3.191 N/A SER 621.A OG LEU 618.A O no hydrogen 3.323 N/A GLN 622.A NE2 THR 485.A OG1 no hydrogen 2.614 N/A MET 624.A N SER 621.A O no hydrogen 3.006 N/A THR 627.A N ASN 449.A OD1 no hydrogen 2.767 N/A THR 627.A OG1 SER 422.A OG no hydrogen 3.094 N/A