Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pgb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A N SER 708.A O no hydrogen 2.645 N/A CYS 4.A SG SER 708.A O no hydrogen 3.357 N/A THR 7.A N GLN 5.A O no hydrogen 3.026 N/A THR 7.A OG1 ASP 283.A O no hydrogen 2.942 N/A GLN 10.A N TYR 287.A O no hydrogen 2.996 N/A ILE 12.A N VAL 289.A O no hydrogen 3.235 N/A ALA 14.A N ASP 290.A OD2 no hydrogen 2.887 N/A LYS 16.A N TYR 304.A OH no hydrogen 3.342 N/A LYS 16.A NZ TYR 72.A O no hydrogen 3.307 N/A LYS 16.A NZ GLY 75.A O no hydrogen 3.434 N/A GLU 17.A N TYR 72.A OH no hydrogen 2.764 N/A ASN 18.A ND2 ARG 293.A O no hydrogen 2.896 N/A ASN 18.A ND2 ILE 305.A O no hydrogen 2.980 N/A TRP 20.A N ASN 18.A OD1 no hydrogen 3.093 N/A TRP 20.A NE1 TYR 327.A OH no hydrogen 3.044 N/A TYR 21.A N ASN 18.A OD1 no hydrogen 2.921 N/A THR 24.A N GLU 27.A OE2 no hydrogen 2.816 N/A GLU 27.A N THR 24.A OG1 no hydrogen 3.333 N/A THR 28.A N THR 24.A O no hydrogen 3.054 N/A THR 28.A OG1 THR 24.A O no hydrogen 3.019 N/A ALA 29.A N ASP 25.A O no hydrogen 2.925 N/A ASP 30.A N ASP 26.A O no hydrogen 2.705 N/A VAL 31.A N GLU 27.A O no hydrogen 2.864 N/A ALA 32.A N THR 28.A O no hydrogen 3.157 N/A LYS 33.A N ALA 29.A O no hydrogen 3.089 N/A TRP 34.A N ASP 30.A O no hydrogen 2.929 N/A LEU 35.A N VAL 31.A O no hydrogen 2.914 N/A PHE 36.A N ALA 32.A O no hydrogen 3.145 N/A GLY 37.A N LYS 33.A O no hydrogen 3.207 N/A ARG 38.A N LEU 35.A O no hydrogen 3.176 N/A ARG 38.A NH1 GLU 40.A OE2 no hydrogen 2.587 N/A GLU 40.A N GLU 40.A OE1 no hydrogen 2.769 N/A LEU 41.A N ARG 38.A O no hydrogen 3.212 N/A THR 44.A N ASN 54.A O no hydrogen 2.688 N/A THR 46.A N GLU 385.A OE1 no hydrogen 2.877 N/A THR 46.A N GLU 385.A OE2 no hydrogen 3.290 N/A THR 46.A OG1 GLU 385.A OE1 no hydrogen 3.348 N/A THR 46.A OG1 GLU 385.A OE2 no hydrogen 2.767 N/A ASN 48.A N THR 45.A OG1 no hydrogen 3.385 N/A ALA 49.A N THR 46.A O no hydrogen 3.095 N/A GLY 50.A N ASP 53.A OD2 no hydrogen 2.785 N/A ASN 54.A ND2 LEU 41.A O no hydrogen 3.639 N/A ASN 54.A ND2 ASN 42.A O no hydrogen 3.130 N/A THR 55.A N ASN 86.A O no hydrogen 2.957 N/A ALA 57.A N ARG 84.A O no hydrogen 2.809 N/A LEU 58.A N ARG 84.A O no hydrogen 3.242 N/A GLU 60.A N HIS 82.A O no hydrogen 2.927 N/A HIS 62.A N HIS 80.A O no hydrogen 2.819 N/A LYS 66.A N ASP 601.A OD1 no hydrogen 3.025 N/A LYS 66.A NZ ASP 489.A OD1 no hydrogen 3.263 N/A LYS 66.A NZ ASP 489.A OD2 no hydrogen 2.784 N/A LYS 66.A NZ ASP 491.A OD1 no hydrogen 3.044 N/A LYS 66.A NZ ASP 491.A OD2 no hydrogen 2.742 N/A LYS 66.A NZ ASP 635.A OD1 no hydrogen 3.446 N/A LYS 66.A NZ ASP 635.A OD2 no hydrogen 2.891 N/A SER 67.A N ASP 601.A OD2 no hydrogen 3.365 N/A SER 67.A OG ASP 601.A OD2 no hydrogen 2.680 N/A GLU 68.A N ASN 65.A O no hydrogen 2.972 N/A ALA 69.A N ASN 65.A O no hydrogen 2.965 N/A ILE 70.A N LYS 66.A O no hydrogen 2.887 N/A LEU 73.A N ALA 69.A O no hydrogen 2.916 N/A ASP 74.A N ILE 70.A O no hydrogen 2.742 N/A GLY 75.A N PRO 71.A O no hydrogen 2.952 N/A ARG 79.A NH1 GLY 22.A O no hydrogen 3.256 N/A ARG 79.A NH1 GLU 27.A OE1 no hydrogen 3.297 N/A ARG 79.A NH2 GLY 22.A O no hydrogen 3.295 N/A ALA 81.A N VAL 100.A O no hydrogen 2.725 N/A HIS 82.A N GLU 60.A O no hydrogen 2.671 N/A HIS 82.A ND1 GLU 60.A OE2 no hydrogen 2.840 N/A HIS 82.A NE2 ASP 97.A OD2 no hydrogen 2.777 N/A VAL 83.A N ILE 98.A O no hydrogen 3.031 N/A ARG 84.A N LEU 58.A O no hydrogen 2.918 N/A ARG 84.A NH2 ASP 310.A OD1 no hydrogen 2.657 N/A LEU 85.A N ALA 96.A O no hydrogen 2.976 N/A ASN 86.A N THR 55.A O no hydrogen 2.782 N/A ASN 87.A N TYR 94.A O no hydrogen 2.893 N/A ARG 88.A N ASP 53.A O no hydrogen 2.861 N/A ARG 88.A NH1 PRO 131.A O no hydrogen 3.135 N/A ALA 89.A N ASN 54.A OD1 no hydrogen 3.256 N/A ASP 92.A N THR 90.A OG1 no hydrogen 2.929 N/A TYR 94.A N ASN 87.A O no hydrogen 3.074 N/A PHE 95.A N VAL 126.A O no hydrogen 2.681 N/A ALA 96.A N LEU 85.A O no hydrogen 2.904 N/A ASP 97.A N GLY 124.A O no hydrogen 2.826 N/A ILE 98.A N VAL 83.A O no hydrogen 2.859 N/A LEU 99.A N GLU 112.A O no hydrogen 2.850 N/A VAL 100.A N ALA 81.A O no hydrogen 2.860 N/A GLY 101.A N THR 110.A O no hydrogen 3.049 N/A LEU 103.A N ARG 79.A O no hydrogen 2.978 N/A SER 106.A N THR 109.A OG1 no hydrogen 3.167 N/A ALA 108.A N SER 106.A OG no hydrogen 3.018 N/A THR 109.A N SER 106.A O no hydrogen 3.267 N/A THR 109.A OG1 PRO 102.A O no hydrogen 2.648 N/A THR 110.A N GLY 101.A O no hydrogen 2.791 N/A THR 110.A OG1 GLY 101.A O no hydrogen 3.312 N/A TRP 111.A NE1 GLU 40.A OE2 no hydrogen 2.793 N/A GLU 112.A N LEU 99.A O no hydrogen 3.143 N/A LEU 114.A N ASP 97.A O no hydrogen 3.035 N/A THR 119.A OG1 PRO 619.A O no hydrogen 3.188 N/A ARG 120.A N PRO 619.A O no hydrogen 2.830 N/A ARG 120.A NH1 ASP 614.A OD2 no hydrogen 2.818 N/A ARG 120.A NH1 ASN 617.A O no hydrogen 2.618 N/A LYS 121.A NZ GLU 115.A O no hydrogen 2.928 N/A LYS 121.A NZ TYR 118.A O no hydrogen 2.738 N/A GLN 123.A N GLU 115.A OE2 no hydrogen 2.973 N/A GLN 125.A N THR 122.A O no hydrogen 2.994 N/A VAL 126.A N PHE 95.A O no hydrogen 3.099 N/A ARG 127.A NE GLN 613.A O no hydrogen 2.809 N/A ARG 127.A NH2 GLN 178.A OE1 no hydrogen 3.016 N/A ASN 128.A N PRO 93.A O no hydrogen 2.963 N/A ASN 128.A ND2 ASN 86.A OD1 no hydrogen 2.732 N/A VAL 129.A N GLN 613.A OE1 no hydrogen 2.917 N/A GLU 130.A N ASN 128.A OD1 no hydrogen 3.108 N/A GLU 134.A N GLU 51.A OE1 no hydrogen 2.539 N/A THR 135.A N GLU 51.A OE1 no hydrogen 3.394 N/A THR 135.A OG1 GLU 51.A OE2 no hydrogen 2.651 N/A VAL 136.A N ASP 132.A O no hydrogen 2.869 N/A TYR 137.A N GLU 134.A O no hydrogen 2.841 N/A TYR 137.A OH ILE 170.A O no hydrogen 2.694 N/A SER 138.A N GLU 134.A O no hydrogen 3.183 N/A SER 138.A OG GLU 134.A O no hydrogen 3.558 N/A GLU 139.A N THR 135.A O no hydrogen 2.961 N/A TRP 140.A N TYR 137.A O no hydrogen 3.432 N/A TRP 140.A NE1 SER 211.A OG no hydrogen 3.032 N/A LEU 141.A N VAL 136.A O no hydrogen 3.077 N/A PHE 142.A N TYR 137.A O no hydrogen 2.961 N/A LYS 143.A NZ GLU 139.A OE1 no hydrogen 3.027 N/A ILE 144.A N TRP 140.A O no hydrogen 2.856 N/A SER 145.A N LEU 141.A O no hydrogen 2.773 N/A SER 145.A OG ALA 160.A O no hydrogen 2.757 N/A ALA 146.A N PHE 142.A O no hydrogen 2.902 N/A SER 147.A N LYS 143.A O no hydrogen 3.162 N/A ILE 148.A N SER 145.A O no hydrogen 3.014 N/A ALA 149.A N ALA 146.A O no hydrogen 3.425 N/A THR 152.A N ILE 148.A O no hydrogen 2.898 N/A THR 152.A OG1 ALA 149.A O no hydrogen 3.150 N/A THR 152.A OG1 GLY 158.A O no hydrogen 2.749 N/A LEU 153.A N ALA 149.A O no hydrogen 2.996 N/A ASP 154.A N ASP 150.A O no hydrogen 3.151 N/A LEU 155.A N ILE 151.A O no hydrogen 2.962 N/A TRP 156.A N THR 152.A O no hydrogen 3.251 N/A ASN 157.A N LEU 153.A O no hydrogen 2.875 N/A GLY 158.A N THR 152.A O no hydrogen 3.259 N/A THR 159.A N THR 167.A OG1 no hydrogen 3.232 N/A LEU 161.A N ASP 166.A OD1 no hydrogen 3.107 N/A GLY 162.A N ASP 166.A OD2 no hydrogen 2.873 N/A LEU 163.A N ASP 166.A OD1 no hydrogen 3.158 N/A ASP 166.A N LEU 163.A O no hydrogen 3.308 N/A THR 167.A N THR 159.A O no hydrogen 3.161 N/A LEU 168.A N THR 159.A O no hydrogen 3.164 N/A ASP 169.A N TRP 190.A O no hydrogen 2.835 N/A TRP 171.A N MET 188.A O no hydrogen 3.225 N/A TRP 171.A NE1 GLU 200.A OE1 no hydrogen 3.037 N/A TRP 177.A N ILE 184.A O no hydrogen 2.950 N/A TRP 177.A NE1 SER 347.A OG no hydrogen 2.936 N/A GLN 178.A NE2 LEU 176.A O no hydrogen 2.919 N/A GLN 178.A NE2 SER 612.A O no hydrogen 3.034 N/A ARG 182.A N ASP 179.A O no hydrogen 3.251 N/A ILE 183.A N THR 214.A OG1 no hydrogen 3.008 N/A ILE 184.A N TRP 177.A O no hydrogen 2.907 N/A ARG 185.A N SER 211.A O no hydrogen 2.773 N/A ARG 185.A NH1 ASP 187.A OD1 no hydrogen 2.847 N/A ASP 187.A N LEU 209.A O no hydrogen 2.946 N/A MET 188.A N TRP 171.A O no hydrogen 3.022 N/A PHE 189.A N LEU 207.A O no hydrogen 3.348 N/A TRP 190.A N ASP 169.A O no hydrogen 2.672 N/A TRP 190.A NE1 TRP 171.A O no hydrogen 3.328 N/A ASN 191.A N LEU 203.A O no hydrogen 2.865 N/A ASN 191.A ND2 ASN 254.A O no hydrogen 2.830 N/A MET 192.A N THR 167.A O no hydrogen 3.318 N/A ASP 194.A N ASP 256.A OD2 no hydrogen 3.101 N/A PHE 197.A N ASP 194.A O no hydrogen 3.174 N/A SER 199.A OG ASP 256.A OD1 no hydrogen 2.619 N/A SER 199.A OG ASP 256.A OD2 no hydrogen 3.159 N/A THR 201.A OG1 ILE 456.A O no hydrogen 2.636 N/A LEU 202.A N SER 199.A O no hydrogen 3.026 N/A LEU 203.A N GLU 200.A O no hydrogen 2.765 N/A LEU 205.A N PHE 189.A O no hydrogen 3.100 N/A TYR 208.A N MET 227.A O no hydrogen 2.917 N/A LEU 209.A N ASP 187.A O no hydrogen 2.853 N/A LYS 210.A N GLY 225.A O no hydrogen 2.823 N/A SER 211.A N ARG 185.A O no hydrogen 2.887 N/A ASP 212.A N LYS 222.A O no hydrogen 2.856 N/A VAL 213.A N ILE 183.A O no hydrogen 2.924 N/A THR 214.A N ASP 212.A OD1 no hydrogen 2.982 N/A THR 214.A OG1 ASP 212.A OD1 no hydrogen 2.501 N/A ARG 216.A NE ASP 132.A OD1 no hydrogen 3.165 N/A ARG 216.A NE ASP 132.A OD2 no hydrogen 3.486 N/A ARG 216.A NH1 ARG 88.A O no hydrogen 2.858 N/A ARG 216.A NH1 THR 90.A O no hydrogen 2.812 N/A ARG 216.A NH2 GLU 51.A O no hydrogen 2.724 N/A ARG 216.A NH2 ASP 132.A OD1 no hydrogen 3.051 N/A SER 219.A N ASP 217.A OD2 no hydrogen 3.434 N/A SER 219.A OG ASP 217.A OD1 no hydrogen 3.389 N/A SER 219.A OG ASP 217.A OD2 no hydrogen 3.355 N/A GLN 220.A N ASP 217.A O no hydrogen 3.089 N/A TRP 221.A N PRO 218.A O no hydrogen 3.353 N/A TRP 221.A NE1 GLY 215.A O no hydrogen 3.004 N/A LYS 222.A N ASP 212.A O no hydrogen 3.097 N/A LEU 224.A N LYS 210.A O no hydrogen 2.876 N/A TRP 226.A N TYR 233.A O no hydrogen 2.832 N/A TRP 226.A NE1 THR 236.A OG1 no hydrogen 2.960 N/A MET 227.A N TYR 208.A O no hydrogen 2.983 N/A TYR 228.A N ILE 231.A O no hydrogen 3.137 N/A ILE 231.A N TYR 228.A O no hydrogen 2.999 N/A TYR 233.A N TRP 226.A O no hydrogen 3.006 N/A THR 235.A N GLU 238.A OE2 no hydrogen 3.047 N/A THR 235.A OG1 GLU 238.A OE2 no hydrogen 3.352 N/A GLU 238.A N THR 235.A OG1 no hydrogen 3.177 N/A PHE 239.A N THR 235.A O no hydrogen 3.211 N/A ARG 240.A N THR 236.A O no hydrogen 2.814 N/A ARG 240.A NE SER 147.A O no hydrogen 3.410 N/A ARG 240.A NH2 ASP 150.A OD1 no hydrogen 3.027 N/A LYS 241.A N GLU 237.A O no hydrogen 2.979 N/A ALA 242.A N GLU 238.A O no hydrogen 3.174 N/A TYR 243.A N PHE 239.A O no hydrogen 2.778 N/A TYR 243.A OH ASP 154.A OD2 no hydrogen 2.767 N/A TRP 244.A N ARG 240.A O no hydrogen 3.311 N/A SER 245.A N ALA 242.A O no hydrogen 3.218 N/A SER 245.A OG LYS 241.A O no hydrogen 2.608 N/A LYS 250.A NZ ASP 154.A OD2 no hydrogen 2.734 N/A LEU 251.A N TYR 228.A OH no hydrogen 3.048 N/A ASN 254.A ND2 PRO 204.A O no hydrogen 2.867 N/A ASN 254.A ND2 SER 474.A O no hydrogen 2.786 N/A TRP 259.A NE1 VAL 255.A O no hydrogen 3.059 N/A ALA 260.A N GLY 257.A O no hydrogen 2.812 N/A HIS 261.A N ALA 258.A O no hydrogen 2.924 N/A HIS 261.A NE2 ASP 256.A OD2 no hydrogen 2.550 N/A GLN 264.A NE2 GLY 266.A O no hydrogen 3.154 N/A ASP 272.A N PRO 269.A O no hydrogen 3.302 N/A LYS 274.A N GLN 271.A O no hydrogen 3.236 N/A LYS 274.A NZ GLN 271.A OE1 no hydrogen 2.871 N/A GLY 284.A N ALA 281.A O no hydrogen 2.821 N/A ALA 285.A N THR 7.A O no hydrogen 2.849 N/A ARG 286.A NE GLU 398.A OE1 no hydrogen 2.731 N/A ARG 286.A NH1 ASN 683.A OD1 no hydrogen 3.466 N/A ARG 286.A NH2 GLU 398.A OE1 no hydrogen 3.309 N/A ARG 286.A NH2 GLU 398.A OE2 no hydrogen 2.699 N/A TYR 287.A OH SER 375.A OG no hydrogen 2.576 N/A SER 288.A N THR 297.A O no hydrogen 2.862 N/A SER 288.A OG GLN 10.A OE1 no hydrogen 3.264 N/A VAL 289.A N GLN 10.A O no hydrogen 2.886 N/A ASP 290.A N TYR 295.A O no hydrogen 2.841 N/A ARG 293.A N ASP 290.A OD1 no hydrogen 2.990 N/A LYS 294.A NZ ASN 378.A O no hydrogen 3.453 N/A TYR 295.A N ASP 290.A O no hydrogen 3.041 N/A VAL 296.A N PHE 303.A O no hydrogen 2.999 N/A THR 297.A N SER 288.A O no hydrogen 2.862 N/A TRP 298.A N PHE 301.A O no hydrogen 2.882 N/A TRP 298.A NE1 GLU 398.A OE2 no hydrogen 2.803 N/A PHE 301.A N TRP 298.A O no hydrogen 2.763 N/A SER 302.A N LYS 319.A O no hydrogen 3.215 N/A PHE 303.A N VAL 296.A O no hydrogen 3.003 N/A TYR 304.A N PHE 316.A O no hydrogen 2.939 N/A TYR 304.A OH LYS 16.A O no hydrogen 3.281 N/A ILE 305.A N LYS 294.A O no hydrogen 2.879 N/A ALA 306.A N SER 314.A O no hydrogen 2.853 N/A PHE 307.A N TYR 21.A O no hydrogen 3.424 N/A ASN 308.A N GLY 312.A O no hydrogen 2.985 N/A ARG 309.A NH1 SER 353.A O no hydrogen 2.933 N/A ARG 309.A NH1 TYR 354.A O no hydrogen 3.397 N/A ARG 309.A NH2 TYR 354.A O no hydrogen 3.048 N/A THR 311.A N ASN 308.A OD1 no hydrogen 2.816 N/A THR 311.A OG1 ASN 308.A OD1 no hydrogen 3.033 N/A GLY 312.A N ASN 308.A O no hydrogen 3.063 N/A SER 314.A N ALA 306.A O no hydrogen 2.953 N/A SER 314.A OG LEU 329.A O no hydrogen 3.422 N/A LEU 315.A N LEU 329.A O no hydrogen 2.753 N/A PHE 316.A N TYR 304.A O no hydrogen 3.006 N/A ASP 317.A N TYR 327.A O no hydrogen 2.793 N/A ILE 318.A N LEU 326.A O no hydrogen 2.837 N/A LYS 319.A N SER 302.A O no hydrogen 2.864 N/A LYS 319.A NZ GLY 322.A O no hydrogen 3.266 N/A TYR 320.A N GLN 323.A O no hydrogen 2.646 N/A LYS 321.A N ASP 300.A O no hydrogen 2.941 N/A LYS 321.A NZ ASP 300.A OD1 no hydrogen 3.106 N/A LYS 321.A NZ GLU 680.A OE1 no hydrogen 2.804 N/A LYS 321.A NZ GLU 680.A OE2 no hydrogen 3.415 N/A GLN 323.A N TYR 320.A O no hydrogen 2.995 N/A GLN 323.A NE2 ARG 324.A O no hydrogen 3.401 N/A ARG 324.A NE ASP 317.A OD2 no hydrogen 2.700 N/A ARG 324.A NH1 ASP 74.A OD2 no hydrogen 3.181 N/A ARG 324.A NH2 ASP 74.A OD1 no hydrogen 2.843 N/A ARG 324.A NH2 ASP 317.A OD2 no hydrogen 3.090 N/A VAL 325.A N ILE 318.A O no hydrogen 3.070 N/A LEU 326.A N ILE 318.A O no hydrogen 3.332 N/A TYR 327.A N ASP 489.A O no hydrogen 2.929 N/A LEU 329.A N LEU 315.A O no hydrogen 2.852 N/A GLY 330.A N LYS 487.A O no hydrogen 3.171 N/A GLN 332.A N ASN 485.A O no hydrogen 2.715 N/A GLN 332.A NE2 GLY 330.A O no hydrogen 3.634 N/A GLN 332.A NE2 LEU 331.A O no hydrogen 3.260 N/A ALA 334.A N GLU 333.A OE1 no hydrogen 3.030 N/A LEU 335.A N VAL 483.A O no hydrogen 2.603 N/A ALA 336.A N TYR 350.A O no hydrogen 2.959 N/A HIS 337.A N ASP 481.A O no hydrogen 3.087 N/A HIS 337.A ND1 TYR 338.A O no hydrogen 3.142 N/A HIS 337.A NE2 SER 580.A OG no hydrogen 2.713 N/A TYR 338.A N VAL 348.A O no hydrogen 2.926 N/A ASN 341.A N ASN 464.A OD1 no hydrogen 2.728 N/A ASN 341.A ND2 ASN 463.A O no hydrogen 2.640 N/A GLN 345.A N ASP 342.A OD1 no hydrogen 2.748 N/A GLN 345.A NE2 GLN 457.A OE1 no hydrogen 2.936 N/A SER 346.A N ASP 342.A O no hydrogen 3.007 N/A SER 347.A N PRO 343.A O no hydrogen 3.219 N/A SER 347.A N VAL 344.A O no hydrogen 3.107 N/A SER 347.A OG PRO 343.A O no hydrogen 2.596 N/A ALA 349.A N ASP 174.A O no hydrogen 2.721 N/A TYR 350.A N ALA 336.A O no hydrogen 2.980 N/A ASP 352.A N ALA 334.A O no hydrogen 3.065 N/A SER 353.A N GLU 333.A OE1 no hydrogen 2.707 N/A SER 353.A OG GLU 333.A OE1 no hydrogen 3.287 N/A SER 353.A OG GLU 333.A OE2 no hydrogen 2.625 N/A TYR 354.A N LEU 351.A O no hydrogen 3.248 N/A TYR 355.A OH ASP 174.A OD2 no hydrogen 2.693 N/A GLY 356.A N ASP 352.A O no hydrogen 2.766 N/A PHE 357.A N ASP 310.A O no hydrogen 3.044 N/A GLY 358.A N ARG 309.A O no hydrogen 3.086 N/A TYR 360.A N PHE 357.A O no hydrogen 3.302 N/A LEU 364.A N ASP 392.A O no hydrogen 3.032 N/A LEU 365.A N ASP 369.A OD2 no hydrogen 2.797 N/A LYS 366.A NZ ASP 392.A OD1 no hydrogen 2.701 N/A TYR 368.A N LEU 365.A O no hydrogen 3.165 N/A ASP 369.A N LEU 365.A O no hydrogen 2.943 N/A TYR 373.A OH GLU 398.A O no hydrogen 2.584 N/A ALA 374.A N PRO 371.A O no hydrogen 3.212 N/A SER 375.A N LEU 396.A O no hydrogen 2.971 N/A SER 375.A OG TYR 287.A OH no hydrogen 2.576 N/A TYR 376.A OH PRO 371.A O no hydrogen 3.182 N/A LEU 377.A N LEU 394.A O no hydrogen 3.066 N/A THR 379.A N HIS 390.A O no hydrogen 3.290 N/A THR 379.A OG1 SER 393.A OG no hydrogen 2.652 N/A PHE 381.A N HIS 388.A O no hydrogen 2.831 N/A LYS 383.A N GLU 386.A O no hydrogen 3.001 N/A LYS 383.A NZ ASP 384.A OD2 no hydrogen 3.136 N/A GLU 386.A N LYS 383.A O no hydrogen 2.983 N/A THR 387.A N VAL 727.A O no hydrogen 2.805 N/A HIS 388.A N PHE 381.A O no hydrogen 2.892 N/A HIS 388.A ND1 ASP 724.A OD2 no hydrogen 2.700 N/A HIS 388.A NE2 GLU 386.A OE1 no hydrogen 2.858 N/A THR 389.A N VAL 725.A O no hydrogen 2.835 N/A HIS 390.A N THR 379.A O no hydrogen 2.735 N/A HIS 390.A NE2 PRO 359.A O no hydrogen 2.769 N/A ASP 392.A N ASN 378.A OD1 no hydrogen 2.959 N/A SER 393.A N LEU 377.A O no hydrogen 3.068 N/A SER 393.A OG THR 379.A OG1 no hydrogen 2.652 N/A SER 393.A OG HIS 390.A O no hydrogen 2.703 N/A LEU 394.A N LEU 377.A O no hydrogen 3.201 N/A CYS 395.A N ARG 425.A O no hydrogen 3.084 N/A LEU 396.A N SER 375.A O no hydrogen 2.797 N/A PHE 397.A N THR 423.A O no hydrogen 3.134 N/A PHE 399.A N TYR 421.A O no hydrogen 2.876 N/A ALA 401.A N ASN 419.A O no hydrogen 2.861 N/A MET 405.A N THR 417.A O no hydrogen 2.753 N/A ALA 406.A N THR 417.A O no hydrogen 3.462 N/A ARG 407.A NH1 SER 409.A OG no hydrogen 2.711 N/A ARG 407.A NH2 SER 409.A OG no hydrogen 3.406 N/A HIS 408.A N SER 415.A O no hydrogen 3.012 N/A THR 410.A N PHE 413.A O no hydrogen 2.793 N/A THR 410.A OG1 PHE 413.A O no hydrogen 3.246 N/A GLU 412.A N THR 410.A OG1 no hydrogen 3.079 N/A PHE 413.A N THR 410.A OG1 no hydrogen 2.971 N/A VAL 414.A N VAL 687.A O no hydrogen 2.778 N/A SER 415.A N HIS 408.A O no hydrogen 3.103 N/A VAL 416.A N VAL 685.A O no hydrogen 2.996 N/A THR 417.A N ALA 406.A O no hydrogen 2.854 N/A LYS 418.A N ASN 683.A O no hydrogen 3.138 N/A LYS 418.A NZ ASP 400.A OD1 no hydrogen 2.508 N/A LYS 418.A NZ ASP 400.A OD2 no hydrogen 2.908 N/A TYR 421.A N PHE 399.A O no hydrogen 3.138 N/A PHE 422.A N PHE 440.A O no hydrogen 2.851 N/A THR 423.A N PHE 397.A O no hydrogen 2.904 N/A THR 423.A OG1 ASN 439.A OD1 no hydrogen 2.916 N/A LEU 424.A N TYR 438.A O no hydrogen 2.901 N/A ARG 425.A N CYS 395.A O no hydrogen 2.978 N/A ARG 425.A NE SER 437.A OG no hydrogen 2.807 N/A ARG 425.A NH1 ASP 369.A O no hydrogen 2.934 N/A ARG 425.A NH2 SER 437.A OG no hydrogen 3.202 N/A SER 426.A N PHE 436.A O no hydrogen 3.057 N/A SER 428.A N TYR 434.A O no hydrogen 3.027 N/A SER 428.A OG PHE 357.A O no hydrogen 2.736 N/A THR 429.A N TYR 360.A O no hydrogen 2.878 N/A THR 429.A OG1 ASP 433.A OD2 no hydrogen 2.613 N/A ASN 432.A ND2 TYR 455.A O no hydrogen 2.833 N/A TYR 434.A N SER 428.A O no hydrogen 2.922 N/A TYR 434.A OH HIS 482.A ND1 no hydrogen 3.227 N/A MET 435.A N ARG 451.A O no hydrogen 2.946 N/A PHE 436.A N SER 426.A O no hydrogen 2.809 N/A SER 437.A N GLU 449.A O no hydrogen 3.141 N/A TYR 438.A N LEU 424.A O no hydrogen 2.778 N/A ASN 439.A N GLY 447.A O no hydrogen 2.848 N/A PHE 440.A N PHE 422.A O no hydrogen 2.746 N/A HIS 441.A N THR 445.A O no hydrogen 2.994 N/A HIS 441.A ND1 THR 445.A O no hydrogen 3.170 N/A GLY 444.A N HIS 441.A O no hydrogen 2.974 N/A THR 445.A N ASP 443.A OD2 no hydrogen 3.066 N/A THR 445.A OG1 ASP 443.A OD1 no hydrogen 2.929 N/A THR 445.A OG1 ASP 443.A OD2 no hydrogen 3.028 N/A THR 445.A OG1 THR 668.A OG1 no hydrogen 2.991 N/A ILE 446.A N PHE 667.A O no hydrogen 2.757 N/A GLY 447.A N ASN 439.A O no hydrogen 2.851 N/A VAL 448.A N VAL 665.A O no hydrogen 3.042 N/A GLU 449.A N SER 437.A O no hydrogen 3.051 N/A VAL 450.A N SER 663.A O no hydrogen 2.966 N/A ARG 451.A N MET 435.A O no hydrogen 3.074 N/A ARG 451.A NH1 PHE 658.A O no hydrogen 2.613 N/A ARG 451.A NH1 THR 659.A O no hydrogen 3.341 N/A ALA 452.A N ALA 661.A O no hydrogen 2.942 N/A SER 453.A N ASP 433.A O no hydrogen 2.998 N/A SER 453.A OG THR 656.A O no hydrogen 2.492 N/A TYR 455.A N ASN 432.A O no hydrogen 2.866 N/A TYR 455.A OH ALA 260.A O no hydrogen 2.629 N/A GLN 457.A NE2 TYR 350.A OH no hydrogen 2.644 N/A SER 458.A N THR 201.A O no hydrogen 2.793 N/A SER 458.A OG ALA 459.A O no hydrogen 3.568 N/A SER 458.A OG SER 476.A O no hydrogen 3.177 N/A ALA 459.A N SER 476.A O no hydrogen 3.089 N/A TYR 460.A OH LYS 252.A O no hydrogen 2.605 N/A TYR 461.A N SER 474.A O no hydrogen 3.421 N/A ASN 463.A ND2 ASN 229.A OD1 no hydrogen 2.866 N/A ASN 464.A N TYR 461.A O no hydrogen 3.091 N/A ASN 464.A ND2 SER 476.A OG no hydrogen 3.269 N/A GLN 465.A N GLN 465.A OE1 no hydrogen 2.785 N/A PHE 467.A N ASN 464.A O no hydrogen 3.156 N/A ILE 471.A N LEU 475.A O no hydrogen 2.875 N/A HIS 472.A N LEU 475.A O no hydrogen 3.420 N/A SER 474.A OG LYS 252.A O no hydrogen 3.212 N/A LEU 475.A N HIS 472.A O no hydrogen 2.915 N/A SER 476.A N ALA 459.A O no hydrogen 2.754 N/A SER 476.A OG TYR 469.A O no hydrogen 3.409 N/A GLY 477.A N TYR 469.A O no hydrogen 2.905 N/A SER 478.A N SER 476.A OG no hydrogen 3.049 N/A SER 478.A OG GLN 345.A OE1 no hydrogen 3.175 N/A HIS 480.A N HIS 646.A O no hydrogen 2.924 N/A HIS 480.A NE2 HIS 482.A NE2 no hydrogen 3.094 N/A ASP 481.A N HIS 337.A O no hydrogen 2.885 N/A HIS 482.A N MET 644.A O no hydrogen 2.881 N/A VAL 483.A N LEU 335.A O no hydrogen 3.052 N/A LEU 484.A N LEU 642.A O no hydrogen 2.660 N/A ASN 485.A N GLU 333.A O no hydrogen 2.875 N/A ASN 485.A ND2 ASN 641.A OD1 no hydrogen 2.893 N/A PHE 486.A N LEU 640.A O no hydrogen 2.649 N/A LYS 487.A N GLY 330.A O no hydrogen 2.985 N/A LYS 487.A NZ GLU 328.A OE2 no hydrogen 2.929 N/A LYS 487.A NZ PRO 604.A O no hydrogen 2.582 N/A ALA 488.A N VAL 638.A O no hydrogen 2.793 N/A ASP 489.A N GLU 328.A O no hydrogen 2.871 N/A PHE 490.A N ALA 488.A O no hydrogen 3.056 N/A ASP 491.A N VAL 325.A O no hydrogen 2.968 N/A ILE 492.A N ASN 497.A OD1 no hydrogen 2.723 N/A GLY 494.A N ASP 491.A O no hydrogen 3.271 N/A ASN 497.A N THR 634.A O no hydrogen 2.863 N/A ASN 497.A ND2 ILE 492.A O no hydrogen 2.965 N/A ASN 497.A ND2 GLY 494.A O no hydrogen 3.224 N/A THR 498.A N VAL 550.A O no hydrogen 2.651 N/A THR 498.A OG1 GLN 633.A OE1 no hydrogen 2.742 N/A GLU 500.A N HIS 548.A O no hydrogen 2.863 N/A LEU 501.A N SER 527.A O no hydrogen 2.849 N/A VAL 502.A N GLN 546.A O no hydrogen 2.871 N/A SER 503.A N GLY 525.A O no hydrogen 2.948 N/A SER 503.A OG GLN 544.A O no hydrogen 3.459 N/A VAL 504.A N GLN 544.A O no hydrogen 2.663 N/A VAL 505.A N GLN 523.A O no hydrogen 2.992 N/A VAL 507.A N THR 521.A O no hydrogen 3.303 N/A THR 508.A OG1 ASN 520.A OD1 no hydrogen 2.708 N/A LYS 509.A N ARG 519.A O no hydrogen 3.088 N/A SER 514.A N PHE 511.A O no hydrogen 3.095 N/A SER 514.A OG LYS 517.A O no hydrogen 2.265 N/A LYS 517.A N SER 514.A O no hydrogen 3.352 N/A ARG 519.A N LYS 509.A O no hydrogen 2.985 N/A THR 521.A N VAL 507.A O no hydrogen 2.867 N/A THR 521.A OG1 MET 522.A O no hydrogen 3.430 N/A MET 522.A N THR 521.A OG1 no hydrogen 2.562 N/A GLN 523.A N VAL 505.A O no hydrogen 2.877 N/A GLY 525.A N SER 503.A O no hydrogen 2.761 N/A ARG 526.A NH1 GLU 560.A OE1 no hydrogen 3.361 N/A ARG 526.A NH1 GLU 560.A OE2 no hydrogen 2.681 N/A SER 527.A N LEU 501.A O no hydrogen 3.199 N/A ILE 529.A N ILE 499.A O no hydrogen 2.987 N/A HIS 530.A N GLU 534.A OE1 no hydrogen 3.313 N/A GLU 532.A N GLU 629.A O no hydrogen 2.926 N/A ASP 533.A N SER 531.A OG no hydrogen 2.815 N/A GLU 534.A N SER 531.A O no hydrogen 3.210 N/A ARG 536.A NE GLN 595.A OE1 no hydrogen 2.851 N/A ARG 536.A NH2 GLN 595.A OE1 no hydrogen 2.982 N/A LEU 537.A N VAL 594.A O no hydrogen 2.956 N/A TRP 539.A N ASP 593.A OD1 no hydrogen 2.948 N/A ASN 542.A ND2 GLN 544.A OE1 no hydrogen 3.123 N/A GLN 544.A N PHE 541.A O no hydrogen 3.215 N/A THR 545.A OG1 SER 503.A OG no hydrogen 2.466 N/A GLN 546.A N VAL 502.A O no hydrogen 2.596 N/A HIS 548.A N GLU 500.A O no hydrogen 2.823 N/A HIS 548.A NE2 GLN 546.A OE1 no hydrogen 3.181 N/A VAL 549.A N TYR 564.A O no hydrogen 2.877 N/A VAL 550.A N THR 498.A O no hydrogen 2.779 N/A ASN 551.A N ARG 562.A O no hydrogen 2.898 N/A ASN 551.A ND2 ILE 492.A O no hydrogen 3.183 N/A ASN 551.A ND2 LEU 493.A O no hydrogen 3.304 N/A GLN 552.A N GLN 633.A OE1 no hydrogen 2.880 N/A GLN 552.A NE2 THR 498.A OG1 no hydrogen 2.753 N/A GLN 552.A NE2 ASN 632.A OD1 no hydrogen 2.908 N/A ASP 553.A N ASN 551.A OD1 no hydrogen 2.823 N/A LYS 554.A N ASN 551.A O no hydrogen 3.132 N/A LYS 554.A NZ LEU 493.A O no hydrogen 3.410 N/A ASN 556.A N GLU 560.A O no hydrogen 2.922 N/A PHE 558.A N ASN 556.A OD1 no hydrogen 2.938 N/A GLY 559.A N ASN 556.A O no hydrogen 3.106 N/A GLU 560.A N ASN 556.A OD1 no hydrogen 2.976 N/A ARG 562.A NE TYR 672.A O no hydrogen 2.932 N/A ARG 562.A NH1 TYR 672.A O no hydrogen 2.998 N/A GLY 563.A N LEU 670.A O no hydrogen 3.194 N/A TYR 564.A N VAL 549.A O no hydrogen 2.932 N/A ARG 565.A N THR 668.A O no hydrogen 2.752 N/A ILE 566.A N LEU 547.A O no hydrogen 2.875 N/A LEU 567.A N ALA 666.A O no hydrogen 3.048 N/A ALA 570.A N GLY 664.A O no hydrogen 3.207 N/A HIS 574.A ND1 ASP 593.A OD2 no hydrogen 2.533 N/A LEU 575.A N ALA 590.A O no hydrogen 2.861 N/A THR 576.A N ASP 481.A OD2 no hydrogen 2.752 N/A THR 576.A OG1 ASP 481.A OD2 no hydrogen 2.648 N/A SER 580.A OG HIS 337.A NE2 no hydrogen 2.713 N/A ASN 582.A ND2 SER 346.A O no hydrogen 2.906 N/A ASN 582.A ND2 VAL 348.A O no hydrogen 3.447 N/A LEU 583.A N SER 580.A OG no hydrogen 3.065 N/A VAL 584.A N SER 580.A O no hydrogen 3.093 N/A HIS 585.A N ILE 615.A O no hydrogen 2.980 N/A HIS 585.A ND1 HIS 588.A NE2 no hydrogen 3.036 N/A ALA 586.A N LEU 583.A O no hydrogen 2.970 N/A HIS 588.A ND1 GLU 591.A OE2 no hydrogen 2.780 N/A HIS 588.A NE2 HIS 585.A ND1 no hydrogen 3.036 N/A ALA 590.A N ALA 587.A O no hydrogen 3.223 N/A ASP 593.A N ASN 538.A OD1 no hydrogen 2.876 N/A VAL 594.A N LEU 537.A O no hydrogen 3.068 N/A GLN 595.A N TRP 639.A O no hydrogen 3.064 N/A GLN 595.A NE2 TRP 589.A O no hydrogen 2.708 N/A VAL 596.A N ALA 535.A O no hydrogen 2.937 N/A THR 597.A N VAL 637.A O no hydrogen 3.110 N/A ARG 598.A N GLU 532.A OE2 no hydrogen 2.840 N/A GLN 599.A N ASP 635.A O no hydrogen 2.758 N/A GLN 599.A NE2 ASP 601.A OD1 no hydrogen 3.170 N/A HIS 600.A NE2 GLU 629.A OE1 no hydrogen 2.745 N/A HIS 600.A NE2 GLU 629.A OE2 no hydrogen 3.036 N/A GLU 603.A N HIS 600.A O no hydrogen 3.194 N/A THR 605.A OG1 ALA 607.A O no hydrogen 2.705 N/A SER 606.A N GLN 332.A OE1 no hydrogen 2.972 N/A SER 606.A OG ASN 485.A OD1 no hydrogen 2.848 N/A HIS 608.A NE2 ASP 97.A OD1 no hydrogen 2.876 N/A TYR 610.A N HIS 608.A ND1 no hydrogen 3.057 N/A ASN 611.A N HIS 608.A O no hydrogen 3.129 N/A ASN 611.A ND2 ALA 586.A O no hydrogen 3.150 N/A ASN 611.A ND2 VAL 620.A O no hydrogen 2.920 N/A GLN 613.A N TYR 610.A O no hydrogen 3.024 N/A GLN 613.A NE2 SER 612.A OG no hydrogen 3.030 N/A ASP 614.A N ASN 611.A O no hydrogen 3.237 N/A ILE 615.A N GLN 178.A OE1 no hydrogen 3.012 N/A ASN 617.A N ASP 614.A O no hydrogen 2.932 N/A ASN 617.A N ASP 614.A OD1 no hydrogen 3.246 N/A VAL 620.A N ASN 611.A OD1 no hydrogen 3.256 N/A ASP 621.A N THR 119.A OG1 no hydrogen 2.953 N/A THR 624.A N ASP 621.A O no hydrogen 3.026 N/A THR 624.A OG1 ASP 621.A O no hydrogen 2.733 N/A PHE 625.A N PHE 622.A O no hydrogen 2.995 N/A PHE 626.A N SER 623.A O no hydrogen 3.240 N/A ASN 627.A N GLU 532.A OE1 no hydrogen 3.165 N/A GLU 629.A N GLU 532.A OE1 no hydrogen 3.310 N/A LEU 631.A N HIS 530.A O no hydrogen 3.059 N/A ASN 632.A N SER 630.A OG no hydrogen 3.248 N/A GLN 633.A N THR 498.A OG1 no hydrogen 2.943 N/A GLN 633.A NE2 ASN 496.A O no hydrogen 2.933 N/A GLN 633.A NE2 ASN 551.A OD1 no hydrogen 2.828 N/A THR 634.A N ASN 497.A O no hydrogen 3.208 N/A THR 634.A OG1 SER 630.A O no hydrogen 3.134 N/A VAL 637.A N THR 597.A O no hydrogen 2.746 N/A VAL 638.A N ALA 488.A O no hydrogen 3.008 N/A TRP 639.A N GLN 595.A O no hydrogen 2.734 N/A TRP 639.A NE1 THR 597.A OG1 no hydrogen 2.793 N/A LEU 640.A N PHE 486.A O no hydrogen 2.816 N/A ASN 641.A N ASP 593.A O no hydrogen 3.106 N/A ASN 641.A ND2 TRP 589.A O no hydrogen 2.762 N/A ASN 641.A ND2 TYR 592.A O no hydrogen 2.659 N/A LEU 642.A N LEU 484.A O no hydrogen 2.855 N/A GLY 643.A N SER 663.A OG no hydrogen 2.899 N/A MET 644.A N HIS 482.A O no hydrogen 2.844 N/A HIS 645.A ND1 ASP 481.A OD1 no hydrogen 2.718 N/A HIS 646.A N HIS 480.A O no hydrogen 2.881 N/A HIS 646.A ND1 HIS 480.A NE2 no hydrogen 3.042 N/A HIS 646.A NE2 ASP 652.A OD1 no hydrogen 3.022 N/A HIS 649.A N ASP 652.A OD2 no hydrogen 2.891 N/A ASP 652.A N HIS 649.A O no hydrogen 2.912 N/A LEU 653.A N THR 650.A O no hydrogen 3.049 N/A THR 656.A N GLY 454.A O no hydrogen 2.958 N/A THR 656.A OG1 ASP 652.A OD1 no hydrogen 2.803 N/A ALA 661.A N VAL 657.A O no hydrogen 3.290 N/A HIS 662.A ND1 VAL 450.A O no hydrogen 3.345 N/A SER 663.A N VAL 450.A O no hydrogen 3.073 N/A SER 663.A OG GLY 571.A O no hydrogen 2.864 N/A SER 663.A OG GLY 643.A O no hydrogen 3.242 N/A GLY 664.A N GLY 571.A O no hydrogen 3.230 N/A VAL 665.A N VAL 448.A O no hydrogen 3.030 N/A ALA 666.A N LEU 567.A O no hydrogen 2.811 N/A PHE 667.A N ILE 446.A O no hydrogen 2.695 N/A THR 668.A N ARG 565.A O no hydrogen 2.967 N/A THR 668.A OG1 THR 445.A OG1 no hydrogen 2.991 N/A LEU 670.A N GLY 563.A O no hydrogen 2.908 N/A SER 678.A N ASP 676.A OD1 no hydrogen 3.047 N/A SER 678.A OG ASP 676.A OD1 no hydrogen 3.335 N/A SER 678.A OG ASP 676.A OD2 no hydrogen 2.599 N/A GLU 680.A N PRO 677.A O no hydrogen 3.231 N/A THR 681.A N SER 678.A O no hydrogen 3.145 N/A ASN 683.A N THR 681.A OG1 no hydrogen 3.204 N/A MET 684.A N VAL 682.A O no hydrogen 2.766 N/A VAL 685.A N VAL 416.A O no hydrogen 2.850 N/A ARG 686.A N ARG 698.A O no hydrogen 2.998 N/A ARG 686.A NE ASP 688.A OD2 no hydrogen 2.804 N/A ARG 686.A NH2 ASP 688.A OD1 no hydrogen 3.013 N/A VAL 687.A N VAL 414.A O no hydrogen 2.764 N/A ASP 688.A N ALA 696.A O no hydrogen 3.045 N/A TYR 689.A N GLU 412.A O no hydrogen 2.885 N/A TYR 689.A OH THR 410.A O no hydrogen 2.679 N/A SER 690.A N ALA 693.A O no hydrogen 3.067 N/A ALA 693.A N SER 690.A O no hydrogen 3.176 N/A THR 695.A N ASP 688.A O no hydrogen 3.028 N/A THR 695.A OG1 ASP 688.A O no hydrogen 3.548 N/A ARG 698.A N ARG 686.A O no hydrogen 3.023 N/A GLN 702.A N THR 699.A O no hydrogen 3.377 N/A GLN 702.A NE2 THR 699.A O no hydrogen 3.159 N/A SER 708.A N SER 2.A O no hydrogen 3.073 N/A SER 708.A OG ALA 1.A O no hydrogen 3.348 N/A ASN 716.A N PRO 713.A O no hydrogen 3.230 N/A GLU 717.A N VAL 714.A O no hydrogen 3.037 N/A LEU 718.A N GLU 715.A O no hydrogen 3.016 N/A TRP 719.A N ASN 716.A O no hydrogen 3.216 N/A SER 720.A N GLU 717.A O no hydrogen 3.011 N/A SER 720.A OG GLU 717.A O no hydrogen 2.616 N/A SER 720.A OG GLU 717.A OE1 no hydrogen 3.439 N/A SER 720.A OG GLU 717.A OE2 no hydrogen 3.401 N/A TYR 721.A N LEU 718.A O no hydrogen 2.955 N/A TYR 721.A OH GLU 363.A O no hydrogen 2.838 N/A GLN 722.A N GLU 363.A OE1 no hydrogen 3.381 N/A GLN 722.A NE2 TYR 739.A OH no hydrogen 3.046 N/A GLY 723.A N GLU 363.A OE1 no hydrogen 3.058 N/A VAL 725.A N THR 389.A O no hydrogen 2.790 N/A VAL 726.A N PHE 738.A O no hydrogen 3.006 N/A VAL 727.A N THR 387.A O no hydrogen 2.857 N/A LYS 729.A N GLU 385.A O no hydrogen 2.858 N/A TYR 732.A OH ASP 26.A OD1 no hydrogen 2.647 N/A ASP 733.A N ARG 728.A O no hydrogen 3.000 N/A PHE 738.A N VAL 726.A O no hydrogen 3.054 N/A