Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nzq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N LYS 1.A O no hydrogen 3.106 N/A THR 5.A OG1 LYS 1.A O no hydrogen 3.335 N/A THR 5.A OG1 MET 2.A O no hydrogen 3.071 N/A ASN 7.A N ARG 4.A O no hydrogen 3.433 N/A ASN 7.A ND2 GLY 507.A O no hydrogen 3.532 N/A TRP 10.A N ASN 7.A O no hydrogen 2.724 N/A TRP 11.A N ASN 7.A O no hydrogen 3.263 N/A TRP 11.A NE1 TYR 6.A O no hydrogen 2.785 N/A TYR 15.A N GLY 12.A O no hydrogen 2.713 N/A TYR 15.A OH HIS 65.A ND1 no hydrogen 2.703 N/A TYR 16.A N GLY 12.A O no hydrogen 3.313 N/A TYR 16.A OH HIS 335.A O no hydrogen 3.049 N/A ASP 17.A N SER 25.A O no hydrogen 2.969 N/A ASN 19.A N HIS 23.A O no hydrogen 2.745 N/A GLY 22.A N ASN 19.A O no hydrogen 3.250 N/A HIS 23.A ND1 ASP 38.A OD1 no hydrogen 3.178 N/A ILE 24.A N LEU 477.A O no hydrogen 3.145 N/A SER 25.A N ASP 17.A O no hydrogen 2.618 N/A SER 25.A OG ASP 17.A O no hydrogen 3.169 N/A VAL 26.A N VAL 37.A O no hydrogen 2.814 N/A CYS 27.A N TYR 15.A O no hydrogen 2.722 N/A CYS 27.A SG ASP 29.A O no hydrogen 3.657 N/A CYS 27.A SG VAL 32.A O no hydrogen 3.793 N/A CYS 27.A SG ALA 35.A O no hydrogen 3.444 N/A ASP 31.A N ASP 29.A OD1 no hydrogen 2.867 N/A VAL 32.A N ASP 29.A O no hydrogen 3.102 N/A GLU 34.A N GLU 34.A OE1 no hydrogen 2.946 N/A ALA 35.A N VAL 32.A O no hydrogen 2.831 N/A ARG 36.A NH1 ASP 17.A OD2 no hydrogen 3.391 N/A LEU 39.A N ILE 24.A O no hydrogen 2.946 N/A GLN 41.A N ASP 38.A OD1 no hydrogen 2.988 N/A LEU 42.A N ASP 38.A O no hydrogen 2.933 N/A VAL 43.A N LEU 39.A O no hydrogen 3.016 N/A LYS 44.A N ALA 40.A O no hydrogen 3.060 N/A THR 45.A N GLN 41.A O no hydrogen 2.809 N/A THR 45.A OG1 GLN 41.A O no hydrogen 2.784 N/A ARG 46.A N LEU 42.A O no hydrogen 3.004 N/A GLU 47.A N VAL 43.A O no hydrogen 2.601 N/A ALA 48.A N LYS 44.A O no hydrogen 2.925 N/A GLN 49.A N ARG 46.A O no hydrogen 3.168 N/A GLY 50.A N GLU 47.A O no hydrogen 2.941 N/A GLN 51.A N ARG 46.A O no hydrogen 2.854 N/A GLN 51.A NE2 ARG 52.A O no hydrogen 3.495 N/A GLN 51.A NE2 GLU 550.A OE1 no hydrogen 3.440 N/A ALA 55.A N VAL 340.A O no hydrogen 2.963 N/A LEU 56.A N GLU 550.A O no hydrogen 2.644 N/A PHE 57.A N VAL 338.A O no hydrogen 2.946 N/A CYS 58.A N VAL 552.A O no hydrogen 2.762 N/A CYS 58.A SG LEU 56.A O no hydrogen 3.861 N/A CYS 58.A SG VAL 552.A O no hydrogen 3.915 N/A PHE 59.A N HIS 336.A O no hydrogen 2.701 N/A GLN 61.A NE2 VAL 556.A O no hydrogen 2.829 N/A ILE 62.A N PHE 59.A O no hydrogen 2.786 N/A GLN 64.A N PRO 60.A O no hydrogen 3.334 N/A HIS 65.A N GLN 61.A O no hydrogen 2.983 N/A HIS 65.A ND1 TYR 15.A OH no hydrogen 2.703 N/A ARG 66.A N ILE 62.A O no hydrogen 2.804 N/A ARG 66.A NE ALA 331.A O no hydrogen 3.215 N/A LEU 67.A N LEU 63.A O no hydrogen 3.036 N/A ARG 68.A N GLN 64.A O no hydrogen 2.904 N/A ARG 68.A NH1 ASP 29.A OD2 no hydrogen 3.103 N/A ARG 68.A NH2 ASP 31.A OD1 no hydrogen 3.079 N/A SER 69.A N HIS 65.A O no hydrogen 2.876 N/A SER 69.A OG HIS 65.A O no hydrogen 3.055 N/A ILE 70.A N ARG 66.A O no hydrogen 3.175 N/A ASN 71.A N LEU 67.A O no hydrogen 3.142 N/A ASN 71.A ND2 LEU 67.A O no hydrogen 3.217 N/A ALA 72.A N ARG 68.A O no hydrogen 3.026 N/A ALA 73.A N SER 69.A O no hydrogen 2.884 N/A PHE 74.A N ILE 70.A O no hydrogen 2.924 N/A LYS 75.A N ASN 71.A O no hydrogen 2.898 N/A ARG 76.A N ALA 72.A O no hydrogen 2.697 N/A ARG 78.A N PHE 74.A O no hydrogen 2.989 N/A ARG 78.A NH2 GLY 85.A O no hydrogen 3.280 N/A GLU 79.A N LYS 75.A O no hydrogen 3.288 N/A TYR 81.A N ALA 77.A O no hydrogen 3.121 N/A TYR 81.A OH ASP 312.A OD1 no hydrogen 3.265 N/A GLY 82.A N ARG 78.A O no hydrogen 2.872 N/A TYR 83.A N ARG 78.A O no hydrogen 2.728 N/A TYR 83.A OH PRO 322.A O no hydrogen 2.643 N/A ASN 84.A N HIS 321.A ND1 no hydrogen 2.862 N/A PHE 88.A N VAL 324.A O no hydrogen 3.222 N/A VAL 90.A N THR 326.A O no hydrogen 2.597 N/A TYR 91.A OH ASN 96.A O no hydrogen 2.639 N/A ILE 93.A N GLU 115.A O no hydrogen 3.050 N/A VAL 95.A N PRO 92.A O no hydrogen 3.131 N/A ASN 96.A N ILE 93.A O no hydrogen 2.785 N/A ASN 96.A ND2 GLY 533.A O no hydrogen 2.985 N/A ASN 96.A ND2 GLU 537.A OE2 no hydrogen 3.009 N/A GLN 97.A NE2 LYS 94.A O no hydrogen 2.726 N/A GLN 97.A NE2 GLU 121.A OE2 no hydrogen 3.173 N/A HIS 98.A N ASN 96.A OD1 no hydrogen 3.098 N/A ARG 99.A NH2 GLU 103.A OE1 no hydrogen 2.918 N/A ARG 100.A N HIS 98.A ND1 no hydrogen 2.930 N/A ARG 100.A NH1 GLU 537.A OE1 no hydrogen 2.974 N/A ARG 100.A NH1 GLU 537.A OE2 no hydrogen 3.521 N/A ARG 100.A NH2 GLU 537.A OE2 no hydrogen 3.177 N/A ILE 102.A N HIS 98.A O no hydrogen 3.227 N/A GLU 103.A N ARG 99.A O no hydrogen 2.759 N/A SER 104.A N ARG 100.A O no hydrogen 2.863 N/A SER 104.A OG ARG 100.A O no hydrogen 2.917 N/A LEU 105.A N VAL 101.A O no hydrogen 3.125 N/A ILE 106.A N ILE 102.A O no hydrogen 3.160 N/A HIS 107.A N GLU 103.A O no hydrogen 2.775 N/A GLY 113.A N LEU 89.A O no hydrogen 2.855 N/A LEU 114.A N VAL 135.A O no hydrogen 3.007 N/A GLU 115.A N TYR 91.A O no hydrogen 3.061 N/A ALA 116.A N VAL 137.A O no hydrogen 2.912 N/A GLY 117.A N GLU 121.A OE1 no hydrogen 2.752 N/A GLU 121.A N SER 118.A OG no hydrogen 3.252 N/A LEU 122.A N SER 118.A O no hydrogen 3.047 N/A MET 123.A N LYS 119.A O no hydrogen 3.039 N/A ALA 124.A N ALA 120.A O no hydrogen 3.202 N/A VAL 125.A N GLU 121.A O no hydrogen 2.822 N/A LEU 126.A N LEU 122.A O no hydrogen 2.832 N/A ALA 127.A N MET 123.A O no hydrogen 2.893 N/A HIS 128.A N ALA 124.A O no hydrogen 2.947 N/A ALA 129.A N VAL 125.A O no hydrogen 2.780 N/A GLY 130.A N LEU 126.A O no hydrogen 3.349 N/A ILE 136.A N LYS 159.A O no hydrogen 3.184 N/A VAL 137.A N LEU 114.A O no hydrogen 2.966 N/A CYS 138.A N TYR 161.A O no hydrogen 2.835 N/A ASN 139.A N ALA 116.A O no hydrogen 2.846 N/A ASN 139.A ND2 HIS 237.A NE2 no hydrogen 3.231 N/A LYS 142.A NZ GLY 140.A O no hydrogen 3.098 N/A LYS 142.A NZ VAL 163.A O no hydrogen 2.658 N/A LYS 142.A NZ GLU 165.A OE2 no hydrogen 3.131 N/A LYS 142.A NZ GLU 169.A OE1 no hydrogen 3.268 N/A LYS 142.A NZ GLU 169.A OE2 no hydrogen 2.783 N/A ARG 144.A NH2 ASP 175.A OD1 no hydrogen 3.381 N/A ARG 144.A NH2 GLU 176.A OE2 no hydrogen 2.644 N/A TYR 146.A N ASP 143.A OD1 no hydrogen 3.263 N/A TYR 146.A OH ASN 139.A O no hydrogen 2.990 N/A ILE 147.A N ASP 143.A O no hydrogen 3.033 N/A ARG 148.A N ARG 144.A O no hydrogen 2.854 N/A ARG 148.A NH2 GLU 176.A OE1 no hydrogen 3.306 N/A LEU 149.A N GLU 145.A O no hydrogen 3.076 N/A ALA 150.A N TYR 146.A O no hydrogen 2.922 N/A LEU 151.A N ILE 147.A O no hydrogen 2.905 N/A ILE 152.A N ARG 148.A O no hydrogen 2.724 N/A GLY 153.A N LEU 149.A O no hydrogen 2.883 N/A GLY 153.A N ALA 150.A O no hydrogen 2.991 N/A GLU 154.A N ALA 150.A O no hydrogen 3.263 N/A GLU 154.A N LEU 151.A O no hydrogen 3.030 N/A LYS 155.A N LEU 151.A O no hydrogen 3.103 N/A LYS 155.A NZ LEU 180.A O no hydrogen 3.552 N/A LYS 155.A NZ ASN 181.A O no hydrogen 3.327 N/A MET 156.A N ILE 152.A O no hydrogen 3.173 N/A GLY 157.A N GLU 154.A O no hydrogen 3.018 N/A TYR 161.A N ILE 136.A O no hydrogen 2.720 N/A LEU 162.A N ARG 185.A O no hydrogen 3.238 N/A VAL 163.A N CYS 138.A O no hydrogen 3.167 N/A ILE 164.A N GLY 187.A O no hydrogen 2.697 N/A GLU 165.A N GLU 169.A OE2 no hydrogen 3.112 N/A GLU 169.A N LYS 166.A O no hydrogen 2.879 N/A ILE 170.A N MET 167.A O no hydrogen 3.158 N/A VAL 173.A N GLU 169.A O no hydrogen 3.106 N/A LEU 174.A N ILE 170.A O no hydrogen 3.360 N/A ASP 175.A N ALA 171.A O no hydrogen 3.240 N/A GLU 176.A N ILE 172.A O no hydrogen 2.830 N/A ALA 177.A N LEU 174.A O no hydrogen 3.121 N/A GLU 178.A N LEU 174.A O no hydrogen 3.212 N/A GLU 178.A N ASP 175.A O no hydrogen 3.164 N/A ARG 179.A N ASP 175.A O no hydrogen 3.077 N/A LEU 180.A N GLU 176.A O no hydrogen 3.011 N/A ASN 181.A N GLU 178.A O no hydrogen 2.999 N/A VAL 182.A N ALA 177.A O no hydrogen 2.855 N/A ARG 185.A NE GLU 154.A OE2 no hydrogen 2.796 N/A LEU 186.A N SER 232.A O no hydrogen 3.287 N/A GLY 187.A N LEU 162.A O no hydrogen 3.371 N/A VAL 188.A N LEU 235.A O no hydrogen 2.695 N/A ARG 189.A N ILE 164.A O no hydrogen 3.040 N/A ALA 190.A N HIS 237.A O no hydrogen 3.331 N/A ARG 191.A N LEU 212.A O no hydrogen 2.827 N/A ARG 191.A NE GLY 211.A O no hydrogen 3.231 N/A ARG 191.A NH1 SER 208.A O no hydrogen 2.797 N/A ARG 191.A NH2 LYS 199.A O no hydrogen 2.929 N/A ALA 193.A N GLU 256.A OE2 no hydrogen 2.850 N/A SER 194.A N GLU 256.A OE1 no hydrogen 2.830 N/A SER 194.A OG THR 252.A O no hydrogen 3.360 N/A SER 194.A OG THR 252.A OG1 no hydrogen 3.304 N/A LYS 199.A NZ PHE 210.A O no hydrogen 3.380 N/A GLN 201.A N GLY 198.A O no hydrogen 3.427 N/A GLN 201.A NE2 SER 203.A OG no hydrogen 3.370 N/A SER 208.A N GLU 206.A O no hydrogen 2.951 N/A GLY 211.A N GLU 165.A O no hydrogen 3.226 N/A LEU 212.A N ARG 189.A O no hydrogen 2.807 N/A ALA 213.A N GLN 216.A OE1 no hydrogen 3.099 N/A VAL 217.A N ALA 213.A O no hydrogen 3.007 N/A LEU 218.A N ALA 214.A O no hydrogen 3.409 N/A GLN 219.A N THR 215.A O no hydrogen 3.143 N/A GLN 219.A NE2 THR 215.A O no hydrogen 3.500 N/A LEU 220.A N GLN 216.A O no hydrogen 3.007 N/A LEU 220.A N VAL 217.A O no hydrogen 3.255 N/A VAL 221.A N VAL 217.A O no hydrogen 3.083 N/A GLU 222.A N LEU 218.A O no hydrogen 2.866 N/A THR 223.A N GLN 219.A O no hydrogen 2.918 N/A THR 223.A OG1 GLN 219.A O no hydrogen 2.909 N/A LEU 224.A N LEU 220.A O no hydrogen 3.005 N/A ARG 225.A N GLU 222.A O no hydrogen 3.057 N/A ARG 225.A NH1 LEU 267.A O no hydrogen 2.814 N/A ARG 225.A NH2 LEU 267.A O no hydrogen 3.045 N/A GLU 226.A N GLU 222.A O no hydrogen 3.228 N/A ALA 227.A N THR 223.A O no hydrogen 3.302 N/A GLY 228.A N ARG 225.A O no hydrogen 3.082 N/A ARG 229.A N LEU 224.A O no hydrogen 2.653 N/A SER 232.A N ARG 229.A O no hydrogen 2.945 N/A SER 232.A OG PRO 184.A O no hydrogen 2.883 N/A GLN 234.A N LEU 186.A O no hydrogen 2.919 N/A LEU 236.A N CYS 273.A O no hydrogen 2.884 N/A HIS 237.A N VAL 188.A O no hydrogen 2.832 N/A PHE 238.A N ASP 275.A O no hydrogen 3.304 N/A HIS 239.A ND1 GLY 277.A O no hydrogen 3.159 N/A SER 242.A OG TYR 535.A OH no hydrogen 3.382 N/A GLN 243.A NE2 VAL 282.A O no hydrogen 2.906 N/A MET 244.A N GLY 279.A O no hydrogen 2.976 N/A ASN 246.A ND2 ASP 249.A OD2 no hydrogen 3.536 N/A ARG 248.A N ASN 246.A OD1 no hydrogen 3.320 N/A ASP 249.A N ASN 246.A O no hydrogen 3.279 N/A ILE 250.A N ILE 247.A O no hydrogen 3.159 N/A ALA 251.A N ILE 247.A O no hydrogen 3.217 N/A THR 252.A N ARG 248.A O no hydrogen 2.933 N/A THR 252.A OG1 SER 194.A OG no hydrogen 3.304 N/A GLY 253.A N ILE 250.A O no hydrogen 2.826 N/A VAL 254.A N ILE 250.A O no hydrogen 2.907 N/A ARG 255.A N ALA 251.A O no hydrogen 2.954 N/A SER 257.A N GLY 253.A O no hydrogen 3.118 N/A ALA 258.A N VAL 254.A O no hydrogen 2.668 N/A ARG 259.A N GLU 256.A O no hydrogen 2.778 N/A PHE 260.A N SER 257.A O no hydrogen 3.244 N/A TYR 261.A N ALA 258.A O no hydrogen 3.105 N/A TYR 261.A OH PRO 320.A O no hydrogen 2.788 N/A VAL 262.A N ALA 258.A O no hydrogen 3.399 N/A GLU 263.A N ARG 259.A O no hydrogen 2.752 N/A LEU 264.A N PHE 260.A O no hydrogen 2.903 N/A HIS 265.A N TYR 261.A O no hydrogen 2.998 N/A LYS 266.A N VAL 262.A O no hydrogen 3.030 N/A LEU 267.A N LEU 264.A O no hydrogen 3.175 N/A GLY 268.A N HIS 265.A O no hydrogen 2.581 N/A GLN 272.A N GLN 234.A O no hydrogen 3.055 N/A CYS 273.A N GLN 234.A O no hydrogen 3.218 N/A CYS 273.A SG TYR 161.A OH no hydrogen 3.910 N/A PHE 274.A N THR 323.A O no hydrogen 2.878 N/A ASP 275.A N LEU 236.A O no hydrogen 2.758 N/A VAL 276.A N ILE 325.A O no hydrogen 2.945 N/A GLY 277.A N ASP 275.A OD2 no hydrogen 3.117 N/A GLY 281.A N TYR 297.A OH no hydrogen 2.745 N/A TYR 284.A N CYS 293.A O no hydrogen 3.193 N/A GLU 285.A N CYS 293.A O no hydrogen 3.242 N/A GLY 286.A N ASP 283.A OD1 no hydrogen 3.497 N/A THR 287.A OG1 GLU 285.A OE2 no hydrogen 3.372 N/A THR 287.A OG1 SER 289.A OG no hydrogen 3.182 N/A ARG 288.A N ASP 283.A OD2 no hydrogen 3.219 N/A SER 289.A N SER 294.A OG no hydrogen 2.987 N/A SER 289.A OG THR 287.A OG1 no hydrogen 3.182 N/A CYS 293.A SG ASP 469.A O no hydrogen 3.732 N/A SER 294.A OG ASP 283.A OD1 no hydrogen 2.502 N/A SER 294.A OG SER 289.A O no hydrogen 3.221 N/A ASN 296.A N ALA 245.A O no hydrogen 3.084 N/A TYR 297.A OH MET 244.A O no hydrogen 2.932 N/A TYR 302.A N GLY 298.A O no hydrogen 3.174 N/A TYR 302.A OH GLY 278.A O no hydrogen 3.242 N/A ALA 303.A N LEU 299.A O no hydrogen 3.167 N/A ASN 304.A N ASN 300.A O no hydrogen 2.761 N/A ASN 305.A N GLU 301.A O no hydrogen 3.014 N/A ILE 306.A N TYR 302.A O no hydrogen 3.026 N/A ILE 307.A N ALA 303.A O no hydrogen 2.977 N/A TRP 308.A N ASN 304.A O no hydrogen 2.829 N/A ALA 309.A N ASN 305.A O no hydrogen 3.258 N/A ILE 310.A N ILE 306.A O no hydrogen 3.224 N/A GLY 311.A N ILE 307.A O no hydrogen 2.510 N/A ASP 312.A N TRP 308.A O no hydrogen 2.792 N/A ALA 313.A N ALA 309.A O no hydrogen 3.015 N/A CYS 314.A N ILE 310.A O no hydrogen 3.085 N/A CYS 314.A N GLY 311.A O no hydrogen 2.810 N/A CYS 314.A SG ILE 310.A O no hydrogen 3.433 N/A CYS 314.A SG PRO 320.A O no hydrogen 3.506 N/A GLU 315.A N GLY 311.A O no hydrogen 3.139 N/A GLU 316.A N ASP 312.A O no hydrogen 3.170 N/A GLY 318.A N GLU 315.A O no hydrogen 2.928 N/A LEU 319.A N CYS 314.A O no hydrogen 3.003 N/A HIS 321.A NE2 GLU 315.A OE1 no hydrogen 3.313 N/A THR 323.A N GLN 272.A O no hydrogen 2.569 N/A THR 323.A OG1 ASP 86.A OD2 no hydrogen 3.487 N/A VAL 324.A N ASP 86.A O no hydrogen 2.822 N/A ILE 325.A N PHE 274.A O no hydrogen 2.825 N/A THR 326.A OG1 SER 328.A OG no hydrogen 3.209 N/A SER 328.A OG THR 326.A OG1 no hydrogen 3.209 N/A GLY 329.A N GLU 327.A O no hydrogen 2.889 N/A ARG 330.A NH2 TYR 284.A OH no hydrogen 3.342 N/A VAL 332.A N SER 328.A O no hydrogen 3.379 N/A VAL 332.A N GLY 329.A O no hydrogen 2.835 N/A THR 333.A N GLY 329.A O no hydrogen 3.204 N/A THR 333.A OG1 GLY 329.A O no hydrogen 3.167 N/A ALA 334.A N ARG 330.A O no hydrogen 2.858 N/A HIS 336.A ND1 THR 333.A O no hydrogen 2.922 N/A VAL 338.A N PHE 57.A O no hydrogen 2.804 N/A LEU 339.A N PHE 529.A O no hydrogen 2.825 N/A VAL 340.A N ALA 55.A O no hydrogen 2.802 N/A SER 341.A N LEU 527.A O no hydrogen 3.093 N/A SER 341.A OG VAL 340.A O no hydrogen 3.323 N/A SER 341.A OG ASN 455.A O no hydrogen 2.849 N/A ILE 344.A N TYR 453.A O no hydrogen 2.739 N/A GLU 347.A N LYS 451.A O no hydrogen 2.804 N/A GLN 366.A N PRO 362.A O no hydrogen 3.341 N/A GLN 366.A NE2 GLU 359.A O no hydrogen 3.521 N/A SER 367.A N ARG 363.A O no hydrogen 2.717 N/A SER 367.A OG ASP 394.A OD1 no hydrogen 3.351 N/A SER 367.A OG ASP 394.A OD2 no hydrogen 3.495 N/A MET 368.A N ALA 364.A O no hydrogen 3.161 N/A TRP 369.A N LEU 365.A O no hydrogen 3.094 N/A GLU 370.A N GLN 366.A O no hydrogen 2.766 N/A THR 371.A N SER 367.A O no hydrogen 3.126 N/A THR 371.A OG1 SER 367.A O no hydrogen 3.044 N/A TRP 372.A N MET 368.A O no hydrogen 3.206 N/A GLN 373.A N TRP 369.A O no hydrogen 3.053 N/A GLU 374.A N GLU 370.A O no hydrogen 3.271 N/A MET 375.A N THR 371.A O no hydrogen 3.254 N/A MET 375.A N TRP 372.A O no hydrogen 3.038 N/A HIS 376.A N TRP 372.A O no hydrogen 3.422 N/A HIS 376.A ND1 TRP 372.A O no hydrogen 3.050 N/A SER 383.A OG THR 380.A O no hydrogen 2.743 N/A ARG 385.A NE HIS 389.A NE2 no hydrogen 3.633 N/A TRP 387.A N SER 383.A O no hydrogen 3.124 N/A TRP 387.A NE1 GLU 374.A OE2 no hydrogen 2.943 N/A LEU 388.A N LEU 384.A O no hydrogen 2.971 N/A ASP 390.A N GLU 386.A O no hydrogen 2.930 N/A SER 391.A N TRP 387.A O no hydrogen 3.050 N/A GLN 392.A N LEU 388.A O no hydrogen 2.959 N/A MET 393.A N HIS 389.A O no hydrogen 3.250 N/A ASP 394.A N ASP 390.A O no hydrogen 3.053 N/A LEU 395.A N SER 391.A O no hydrogen 2.897 N/A HIS 396.A N GLN 392.A O no hydrogen 3.078 N/A ASP 397.A N MET 393.A O no hydrogen 2.990 N/A ILE 398.A N ASP 394.A O no hydrogen 3.019 N/A HIS 399.A N LEU 395.A O no hydrogen 2.978 N/A HIS 399.A NE2 GLU 416.A OE1 no hydrogen 2.884 N/A ILE 400.A N HIS 396.A O no hydrogen 2.932 N/A GLY 401.A N ASP 397.A O no hydrogen 2.725 N/A TYR 402.A N HIS 399.A O no hydrogen 3.165 N/A SER 404.A N ILE 400.A O no hydrogen 3.177 N/A SER 404.A OG ILE 400.A O no hydrogen 2.965 N/A GLY 405.A N TYR 402.A O no hydrogen 3.163 N/A ILE 406.A N GLY 401.A O no hydrogen 3.039 N/A SER 408.A N GLU 411.A OE2 no hydrogen 2.903 N/A SER 408.A OG GLN 410.A OE1 no hydrogen 3.340 N/A GLU 411.A N SER 408.A OG no hydrogen 3.253 N/A ARG 412.A N SER 408.A O no hydrogen 2.865 N/A ARG 412.A NE GLU 416.A OE1 no hydrogen 2.809 N/A ALA 413.A N LEU 409.A O no hydrogen 2.826 N/A TRP 414.A N GLN 410.A O no hydrogen 3.052 N/A TRP 414.A NE1 THR 355.A O no hydrogen 3.175 N/A ALA 415.A N GLU 411.A O no hydrogen 2.898 N/A GLU 416.A N ARG 412.A O no hydrogen 2.948 N/A GLN 417.A N ALA 413.A O no hydrogen 3.294 N/A LEU 418.A N TRP 414.A O no hydrogen 2.951 N/A TYR 419.A N ALA 415.A O no hydrogen 2.905 N/A LEU 420.A N GLU 416.A O no hydrogen 3.038 N/A SER 421.A N GLN 417.A O no hydrogen 2.895 N/A SER 421.A OG THR 352.A O no hydrogen 3.141 N/A SER 421.A OG GLN 417.A O no hydrogen 2.870 N/A MET 422.A N LEU 418.A O no hydrogen 2.783 N/A CYS 423.A N TYR 419.A O no hydrogen 3.053 N/A CYS 423.A SG TYR 419.A O no hydrogen 3.227 N/A HIS 424.A N LEU 420.A O no hydrogen 3.237 N/A GLU 425.A N SER 421.A O no hydrogen 2.992 N/A VAL 426.A N MET 422.A O no hydrogen 3.001 N/A GLN 427.A N CYS 423.A O no hydrogen 2.700 N/A LYS 428.A N GLU 425.A O no hydrogen 3.123 N/A GLN 429.A N GLU 425.A O no hydrogen 3.401 N/A LEU 430.A N VAL 426.A O no hydrogen 3.047 N/A ASN 434.A N ASP 431.A O no hydrogen 3.157 N/A HIS 437.A N ASN 434.A O no hydrogen 3.061 N/A ILE 441.A N HIS 437.A O no hydrogen 3.072 N/A ASP 442.A N ARG 438.A O no hydrogen 3.360 N/A LEU 444.A N ILE 440.A O no hydrogen 2.769 N/A GLN 445.A N ILE 441.A O no hydrogen 3.311 N/A ARG 447.A N GLU 443.A O no hydrogen 3.391 N/A ALA 449.A N GLU 446.A O no hydrogen 3.242 N/A ASP 450.A N ARG 487.A O no hydrogen 2.953 N/A LYS 451.A N GLU 347.A O no hydrogen 3.402 N/A MET 452.A N VAL 489.A O no hydrogen 3.202 N/A TYR 453.A N GLY 345.A O no hydrogen 2.883 N/A VAL 454.A N LEU 491.A O no hydrogen 3.110 N/A ASN 455.A N ASN 342.A O no hydrogen 2.930 N/A ASN 455.A ND2 ASN 342.A OD1 no hydrogen 3.486 N/A ASN 455.A ND2 LEU 622.A O no hydrogen 3.360 N/A PHE 456.A N VAL 454.A O no hydrogen 2.919 N/A LEU 458.A N ASP 492.A OD1 no hydrogen 2.836 N/A GLN 460.A N SER 457.A O no hydrogen 2.921 N/A SER 461.A N SER 457.A O no hydrogen 2.943 N/A SER 461.A OG SER 457.A O no hydrogen 3.424 N/A MET 462.A N LEU 458.A O no hydrogen 2.983 N/A ALA 465.A N MET 462.A O no hydrogen 2.763 N/A TRP 466.A N PRO 463.A O no hydrogen 2.786 N/A GLY 467.A N PRO 463.A O no hydrogen 3.303 N/A ILE 468.A N ASP 464.A O no hydrogen 3.180 N/A GLN 470.A N ILE 468.A O no hydrogen 2.578 N/A LEU 475.A N GLY 528.A O no hydrogen 3.244 N/A LEU 477.A N MET 526.A O no hydrogen 3.066 N/A LEU 480.A N GLY 22.A O no hydrogen 3.083 N/A GLU 485.A N MET 516.A O no hydrogen 3.244 N/A ARG 486.A NH2 ASP 450.A OD1 no hydrogen 3.329 N/A ARG 486.A NH2 ASP 450.A OD2 no hydrogen 3.548 N/A ARG 487.A NH1 ASP 506.A OD1 no hydrogen 2.959 N/A ARG 487.A NH2 ASP 506.A OD1 no hydrogen 3.434 N/A ALA 488.A N MET 514.A O no hydrogen 2.704 N/A VAL 489.A N ASP 450.A O no hydrogen 2.932 N/A LEU 490.A N TYR 504.A OH no hydrogen 2.926 N/A LEU 491.A N MET 452.A O no hydrogen 3.184 N/A ASP 492.A N GLY 499.A O no hydrogen 3.015 N/A ILE 493.A N PHE 456.A O no hydrogen 3.263 N/A THR 494.A N ASP 492.A OD2 no hydrogen 3.242 N/A THR 494.A OG1 ASP 492.A OD1 no hydrogen 2.865 N/A CYS 495.A SG ASN 544.A OD1 no hydrogen 3.289 N/A GLY 499.A N ASP 496.A O no hydrogen 2.884 N/A ILE 501.A N LEU 490.A O no hydrogen 3.124 N/A TYR 504.A N ALA 511.A O no hydrogen 2.802 N/A GLY 507.A N THR 5.A O no hydrogen 2.677 N/A ALA 511.A N TYR 504.A O no hydrogen 2.998 N/A THR 512.A OG1 GLU 446.A OE1 no hydrogen 3.111 N/A THR 512.A OG1 GLU 446.A OE2 no hydrogen 3.136 N/A THR 513.A OG1 ALA 488.A O no hydrogen 3.516 N/A MET 514.A N ALA 488.A O no hydrogen 2.825 N/A MET 516.A N ARG 486.A O no hydrogen 2.730 N/A GLU 518.A N GLN 482.A OE1 no hydrogen 3.239 N/A GLU 522.A N ASP 520.A OD2 no hydrogen 2.833 N/A ASN 523.A N ASP 520.A O no hydrogen 2.933 N/A LEU 527.A N SER 341.A O no hydrogen 2.817 N/A GLY 528.A N LEU 475.A O no hydrogen 3.048 N/A PHE 529.A N LEU 339.A O no hydrogen 2.706 N/A PHE 530.A N PRO 473.A O no hydrogen 3.108 N/A TYR 535.A N VAL 95.A O no hydrogen 2.955 N/A ASN 541.A N PHE 459.A O no hydrogen 2.977 N/A LEU 545.A N MET 542.A O no hydrogen 3.355 N/A GLY 547.A N THR 620.A OG1 no hydrogen 3.282 N/A ASP 548.A N ASP 571.A OD2 no hydrogen 2.583 N/A GLU 550.A N TYR 619.A OH no hydrogen 3.007 N/A ALA 551.A N ASP 568.A O no hydrogen 3.488 N/A VAL 552.A N LEU 56.A O no hydrogen 2.805 N/A ASP 553.A N GLU 565.A O no hydrogen 2.936 N/A VAL 554.A N CYS 58.A O no hydrogen 2.718 N/A PHE 555.A N GLU 563.A O no hydrogen 2.595 N/A VAL 556.A N GLN 61.A OE1 no hydrogen 2.948 N/A PHE 557.A N SER 561.A O no hydrogen 3.187 N/A GLY 560.A N PHE 557.A O no hydrogen 2.991 N/A SER 561.A OG ASP 559.A OD1 no hydrogen 3.341 N/A GLU 563.A N PHE 555.A O no hydrogen 3.065 N/A SER 567.A N ALA 551.A O no hydrogen 2.968 N/A SER 567.A OG ASP 553.A OD1 no hydrogen 3.095 N/A SER 567.A OG ASP 553.A OD2 no hydrogen 3.225 N/A ASP 568.A N ALA 551.A O no hydrogen 2.981 N/A THR 572.A N ASP 575.A OD1 no hydrogen 3.008 N/A VAL 573.A N GLY 618.A O no hydrogen 3.127 N/A MET 576.A N THR 572.A O no hydrogen 3.164 N/A LEU 577.A N VAL 573.A O no hydrogen 3.008 N/A GLN 578.A N ALA 574.A O no hydrogen 3.187 N/A GLN 578.A N ASP 575.A O no hydrogen 3.175 N/A TYR 579.A N ASP 575.A O no hydrogen 3.422 N/A TYR 579.A N MET 576.A O no hydrogen 2.974 N/A VAL 580.A N MET 576.A O no hydrogen 3.417 N/A GLN 581.A N GLN 578.A O no hydrogen 3.015 N/A LYS 585.A NZ GLN 578.A OE1 no hydrogen 3.187 N/A THR 586.A OG1 ASP 583.A O no hydrogen 3.173 N/A LEU 587.A N PRO 584.A O no hydrogen 2.821 N/A LEU 588.A N PRO 584.A O no hydrogen 2.826 N/A LEU 588.A N LYS 585.A O no hydrogen 3.185 N/A THR 589.A N LYS 585.A O no hydrogen 3.464 N/A THR 589.A OG1 LYS 585.A O no hydrogen 3.247 N/A THR 589.A OG1 THR 586.A O no hydrogen 3.348 N/A PHE 591.A N LEU 588.A O no hydrogen 2.978 N/A ARG 592.A N LEU 588.A O no hydrogen 2.911 N/A ASP 593.A N THR 589.A O no hydrogen 3.147 N/A GLN 594.A NE2 GLN 590.A O no hydrogen 3.017 N/A VAL 595.A N PHE 591.A O no hydrogen 2.943 N/A LYS 596.A N ASP 593.A O no hydrogen 2.913 N/A LYS 597.A N ASP 593.A O no hydrogen 3.415 N/A GLN 605.A N ASP 601.A O no hydrogen 3.220 N/A GLN 606.A N ALA 602.A O no hydrogen 3.273 N/A LEU 609.A N GLN 606.A O no hydrogen 3.135 N/A PHE 612.A N PHE 608.A O no hydrogen 2.776 N/A GLU 613.A N LEU 609.A O no hydrogen 3.006 N/A ALA 614.A N GLU 610.A O no hydrogen 2.753 N/A GLY 615.A N GLU 611.A O no hydrogen 3.143 N/A LEU 616.A N PHE 612.A O no hydrogen 2.846 N/A TYR 617.A N GLU 613.A O no hydrogen 3.057 N/A TYR 619.A OH PRO 54.A O no hydrogen 2.717 N/A THR 620.A OG1 LEU 545.A O no hydrogen 3.210 N/A TYR 621.A OH GLY 547.A O no hydrogen 2.597 N/A GLU 627.A N GLU 625.A O no hydrogen 2.834 N/A