Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n2k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N TYR 22.A O no hydrogen 2.742 N/A ARG 3.A NH1 VAL 16.A O no hydrogen 2.596 N/A VAL 5.A N TRP 24.A O no hydrogen 3.112 N/A ARG 6.A NH1 ASP 26.A OD2.A no hydrogen 2.807 N/A LEU 7.A N ASP 26.A O.A no hydrogen 3.222 N/A LEU 7.A N ASP 26.A O.B no hydrogen 3.119 N/A SER 11.A N GLN 8.A O no hydrogen 3.302 N/A SER 11.A OG ARG 12.A O no hydrogen 3.111 N/A VAL 13.A N GLY 108.A O no hydrogen 2.982 N/A ALA 15.A N PHE 110.A O no hydrogen 2.874 N/A TYR 17.A N THR 112.A O no hydrogen 2.807 N/A LEU 19.A N ILE 114.A O no hydrogen 2.918 N/A THR 21.A N VAL 18.A O no hydrogen 3.158 N/A THR 21.A OG1 VAL 18.A O no hydrogen 2.729 N/A TYR 22.A N ARG 1.A O no hydrogen 2.885 N/A LEU 23.A N VAL 77.A O no hydrogen 2.956 N/A TRP 24.A N ARG 3.A O no hydrogen 2.960 N/A TRP 24.A NE1 THR 4.A OG1 no hydrogen 2.550 N/A THR 25.A N LEU 75.A O no hydrogen 2.783 N/A THR 25.A OG1 VAL 5.A O no hydrogen 3.140 N/A TYR 28.A N ASP 26.A OD1.B no hydrogen 2.874 N/A SER 29.A N ASP 26.A OD1.A no hydrogen 2.897 N/A SER 29.A N ASP 26.A OD1.B no hydrogen 3.207 N/A SER 29.A OG ASP 26.A OD1.A no hydrogen 3.398 N/A SER 29.A OG ASP 26.A OD2.A no hydrogen 2.731 N/A SER 29.A OG ASP 26.A OD2.B no hydrogen 3.293 N/A ALA 31.A N TYR 28.A O no hydrogen 3.156 N/A ALA 35.A N PRO 32.A O no hydrogen 3.153 N/A GLN 36.A N TYR 96.A O no hydrogen 2.723 N/A GLN 36.A NE2 GLY 34.A O no hydrogen 3.077 N/A THR 37.A N TYR 96.A O no hydrogen 3.227 N/A PHE 38.A N TRP 67.A O no hydrogen 2.954 N/A SER 39.A N ASN 94.A O no hydrogen 2.953 N/A SER 39.A OG TYR 96.A OH no hydrogen 2.667 N/A LYS 41.A N THR 92.A O no hydrogen 2.894 N/A HIS 42.A N THR 61.A O no hydrogen 3.021 N/A HIS 42.A ND1 SER 43.A O.A no hydrogen 2.833 N/A HIS 42.A ND1 SER 43.A O.B no hydrogen 2.711 N/A HIS 42.A NE2 VAL 59.A O no hydrogen 2.760 N/A SER 43.A N.A LYS 90.A O no hydrogen 3.019 N/A SER 43.A N.B LYS 90.A O no hydrogen 3.020 N/A SER 43.A OG.A SER 88.A O no hydrogen 3.426 N/A SER 43.A OG.A LYS 90.A O no hydrogen 3.472 N/A SER 43.A OG.B SER 88.A O no hydrogen 2.599 N/A VAL 46.A N SER 43.A O.A no hydrogen 3.352 N/A TRP 47.A N THR 78.A O no hydrogen 2.752 N/A GLU 49.A N ARG 76.A O no hydrogen 2.915 N/A VAL 50.A N GLU 57.A O no hydrogen 2.850 N/A VAL 51.A N THR 74.A O no hydrogen 2.801 N/A ARG 52.A N GLU 55.A O no hydrogen 2.908 N/A ASP 53.A N SER 72.A O no hydrogen 3.233 N/A GLU 55.A N ARG 52.A O no hydrogen 3.014 N/A GLU 57.A N VAL 50.A O no hydrogen 2.940 N/A VAL 59.A N VAL 48.A O no hydrogen 2.872 N/A ARG 66.A NH1 SER 101.A OG no hydrogen 3.325 N/A TRP 67.A N PHE 38.A O no hydrogen 2.990 N/A TRP 67.A NE1 GLU 57.A OE1 no hydrogen 3.031 N/A LEU 69.A N GLN 36.A O no hydrogen 2.844 N/A SER 70.A OG SER 72.A OG no hydrogen 3.003 N/A SER 72.A N SER 70.A OG no hydrogen 3.102 N/A SER 72.A OG SER 70.A OG no hydrogen 3.003 N/A THR 73.A N SER 70.A O no hydrogen 3.115 N/A THR 74.A N VAL 51.A O no hydrogen 2.827 N/A LEU 75.A N THR 25.A O no hydrogen 2.910 N/A ARG 76.A N GLU 49.A O no hydrogen 2.900 N/A ARG 76.A NE GLU 49.A OE1 no hydrogen 2.760 N/A ARG 76.A NH2 GLU 49.A OE1 no hydrogen 3.469 N/A ARG 76.A NH2 GLU 49.A OE2 no hydrogen 3.162 N/A VAL 77.A N LEU 23.A O no hydrogen 2.833 N/A THR 78.A N TRP 47.A O no hydrogen 2.910 N/A MET 79.A N TYR 17.A OH no hydrogen 3.042 N/A SER 83.A N ALA 113.A O no hydrogen 2.740 N/A SER 83.A OG ASP 89.A OD2 no hydrogen 2.558 N/A THR 84.A N SER 87.A OG no hydrogen 2.847 N/A ALA 86.A N THR 84.A OG1 no hydrogen 2.962 N/A SER 87.A N THR 84.A O no hydrogen 3.104 N/A SER 87.A OG THR 84.A O no hydrogen 3.272 N/A LYS 90.A N SER 43.A OG.A no hydrogen 3.040 N/A LYS 90.A N SER 43.A OG.B no hydrogen 3.271 N/A VAL 91.A N LEU 109.A O no hydrogen 2.919 N/A THR 92.A N LYS 41.A O no hydrogen 2.795 N/A VAL 93.A N ALA 107.A O no hydrogen 2.878 N/A ASN 94.A N SER 39.A O no hydrogen 3.039 N/A ASN 94.A ND2 GLN 106.A OE1 no hydrogen 3.318 N/A TYR 95.A N ASP 105.A O no hydrogen 2.963 N/A TYR 95.A OH VAL 27.A O no hydrogen 2.680 N/A TYR 96.A N THR 37.A O no hydrogen 2.998 N/A TYR 96.A OH SER 39.A OG no hydrogen 2.667 N/A GLU 99.A N ASP 97.A OD2 no hydrogen 2.977 N/A ILE 104.A N TYR 95.A O no hydrogen 2.779 N/A GLN 106.A N ASP 105.A OD1 no hydrogen 2.753 N/A ALA 107.A N VAL 93.A O no hydrogen 2.829 N/A LEU 109.A N VAL 91.A O no hydrogen 2.869 N/A PHE 110.A N VAL 13.A O no hydrogen 2.822 N/A LEU 111.A N ASP 89.A O no hydrogen 2.882 N/A THR 112.A N ALA 15.A O no hydrogen 3.068 N/A ALA 113.A N SER 83.A OG no hydrogen 2.793 N/A ILE 114.A N TYR 17.A O no hydrogen 2.923 N/A GLU 115.A N LYS 172.A O no hydrogen 2.822 N/A SER 117.A N ARG 170.A O no hydrogen 2.898 N/A SER 117.A OG ASP 119.A OD1 no hydrogen 2.629 N/A LEU 118.A N ASP 271.A OD2 no hydrogen 2.886 N/A ASP 119.A N ILE 168.A O no hydrogen 2.797 N/A ALA 122.A N GLU 129.A OE2 no hydrogen 2.959 N/A ASP 123.A N GLU 129.A OE2 no hydrogen 2.903 N/A ARG 124.A NE GLY 146.A O no hydrogen 2.796 N/A ARG 124.A NH1 THR 139.A O no hydrogen 3.245 N/A ARG 124.A NH2 THR 139.A O no hydrogen 2.788 N/A ARG 124.A NH2 GLY 146.A O no hydrogen 3.340 N/A ASP 125.A N ASP 121.A OD1 no hydrogen 3.171 N/A GLY 126.A N ASP 121.A OD2 no hydrogen 2.756 N/A VAL 127.A N ASP 125.A OD1 no hydrogen 2.988 N/A GLU 129.A N GLU 129.A OE1 no hydrogen 2.776 N/A ASN 131.A N ASP 119.A OD1 no hydrogen 3.073 N/A ASN 132.A ND2 GLU 129.A OE2 no hydrogen 2.668 N/A LYS 134.A N ASN 132.A OD1 no hydrogen 2.950 N/A LYS 135.A N ASN 132.A O no hydrogen 3.001 N/A LYS 135.A NZ LEU 118.A O no hydrogen 2.768 N/A LYS 135.A NZ ASP 119.A OD1 no hydrogen 3.375 N/A LYS 135.A NZ ASN 131.A OD1 no hydrogen 2.808 N/A LYS 135.A NZ ASP 271.A OD1 no hydrogen 3.547 N/A LYS 135.A NZ ASP 271.A OD2 no hydrogen 2.756 N/A SER 137.A N.A LYS 134.A O no hydrogen 3.076 N/A SER 137.A N.B LYS 134.A O no hydrogen 3.081 N/A SER 137.A OG.B LYS 134.A O no hydrogen 3.243 N/A TRP 138.A NE1 ALA 147.A O no hydrogen 2.990 N/A THR 139.A N GLN 145.A O no hydrogen 2.804 N/A THR 139.A OG1 GLN 145.A O no hydrogen 3.410 N/A GLY 141.A N TRP 630.A O no hydrogen 2.960 N/A GLY 144.A N GLY 141.A O no hydrogen 2.950 N/A GLN 145.A N THR 139.A OG1 no hydrogen 2.879 N/A GLY 146.A N ALA 122.A O no hydrogen 2.708 N/A LEU 149.A N ARG 276.A O no hydrogen 2.917 N/A ASN 152.A N GLY 237.A O no hydrogen 2.913 N/A ASN 152.A ND2 GLU 236.A OE1 no hydrogen 2.798 N/A CYS 153.A SG VAL 151.A O no hydrogen 3.588 N/A ASP 154.A N ASN 152.A OD1 no hydrogen 3.051 N/A TYR 156.A N TYR 209.A O no hydrogen 2.847 N/A ASP 160.A N SER 157.A O no hydrogen 3.001 N/A LEU 161.A N LYS 158.A O no hydrogen 2.971 N/A LYS 162.A N GLU 159.A O no hydrogen 3.223 N/A MET 164.A N LEU 161.A O no hydrogen 2.927 N/A SER 165.A N VAL 235.A O no hydrogen 2.937 N/A SER 165.A OG ILE 148.A O no hydrogen 2.899 N/A MET 167.A N PHE 233.A O no hydrogen 2.926 N/A ILE 168.A N ASP 119.A O no hydrogen 2.881 N/A LEU 169.A N LEU 231.A O no hydrogen 2.915 N/A ARG 170.A N SER 117.A O no hydrogen 2.834 N/A ARG 170.A NE GLU 230.A OE2 no hydrogen 2.725 N/A ARG 170.A NH1 ASP 119.A OD2 no hydrogen 2.893 N/A ARG 170.A NH1 VAL 128.A O no hydrogen 3.232 N/A ARG 170.A NH1 GLU 129.A O no hydrogen 3.231 N/A ARG 170.A NH2 VAL 128.A O no hydrogen 3.010 N/A THR 171.A N ALA 229.A O no hydrogen 3.013 N/A LYS 172.A N GLU 115.A O no hydrogen 3.089 N/A GLY 173.A N GLY 227.A O no hydrogen 3.187 N/A ASP 175.A N GLU 85.A OE2 no hydrogen 2.920 N/A GLU 182.A N LEU 256.A O no hydrogen 3.062 N/A VAL 184.A N SER 254.A O no hydrogen 2.907 N/A LEU 185.A N HIS 220.A O no hydrogen 2.931 N/A TYR 186.A N HIS 252.A O no hydrogen 2.811 N/A ILE 187.A N LEU 218.A O no hydrogen 2.898 N/A ASP 191.A N SER 188.A OG no hydrogen 3.054 N/A SER 192.A N MET 189.A O no hydrogen 3.108 N/A SER 192.A OG MET 189.A O no hydrogen 2.671 N/A LYS 194.A N ASP 191.A O no hydrogen 2.880 N/A LYS 194.A NZ SER 190.A O no hydrogen 3.006 N/A LYS 194.A NZ ASP 193.A OD1 no hydrogen 2.746 N/A GLY 196.A N GLU 236.A O no hydrogen 3.049 N/A VAL 197.A N LEU 213.A O no hydrogen 2.992 N/A PHE 198.A N PHE 234.A O no hydrogen 2.841 N/A TYR 199.A N.A ILE 210.A O no hydrogen 3.068 N/A TYR 199.A N.B ILE 210.A O no hydrogen 3.036 N/A TYR 199.A OH.A GLU 201.A OE1 no hydrogen 2.559 N/A TYR 199.A OH.A HIS 220.A NE2 no hydrogen 3.008 N/A PHE 205.A N ASN 202.A O no hydrogen 3.127 N/A TYR 209.A N TYR 156.A O no hydrogen 3.130 N/A ILE 210.A N TYR 199.A O.A no hydrogen 2.695 N/A ILE 210.A N TYR 199.A O.B no hydrogen 2.924 N/A ILE 212.A N VAL 197.A O no hydrogen 2.807 N/A GLY 214.A N LYS 217.A O no hydrogen 2.935 N/A LYS 217.A N GLY 214.A O no hydrogen 3.000 N/A LYS 217.A NZ HIS 211.A O no hydrogen 3.040 N/A HIS 220.A N LEU 185.A O no hydrogen 2.820 N/A HIS 220.A NE2 TYR 199.A OH.A no hydrogen 3.008 N/A HIS 220.A NE2 GLU 201.A OE1 no hydrogen 2.370 N/A VAL 222.A N ILE 183.A O no hydrogen 2.934 N/A TYR 224.A OH PRO 174.A O no hydrogen 2.745 N/A GLY 227.A N GLY 173.A O no hydrogen 2.915 N/A ALA 229.A N THR 171.A O no hydrogen 2.975 N/A LEU 231.A N LEU 169.A O no hydrogen 2.937 N/A PHE 233.A N MET 167.A O no hydrogen 2.798 N/A PHE 234.A N PHE 198.A O no hydrogen 3.005 N/A VAL 235.A N SER 165.A O no hydrogen 2.751 N/A GLU 236.A N GLY 196.A O no hydrogen 2.960 N/A GLY 237.A N LEU 150.A O no hydrogen 2.964 N/A LEU 238.A N LYS 194.A O no hydrogen 2.795 N/A ASP 242.A N PHE 245.A O no hydrogen 3.022 N/A GLU 243.A N ASP 242.A OD1.A no hydrogen 3.009 N/A GLY 244.A N ASP 242.A OD1.B no hydrogen 2.793 N/A PHE 245.A N ASP 242.A O no hydrogen 3.077 N/A LEU 248.A N SER 246.A OG no hydrogen 3.097 N/A VAL 249.A N PHE 275.A O no hydrogen 2.951 N/A SER 250.A N ASP 191.A OD2 no hydrogen 3.187 N/A ILE 251.A N VAL 273.A O no hydrogen 2.969 N/A HIS 252.A N TYR 186.A O no hydrogen 2.982 N/A HIS 252.A ND1 THR 272.A OG1 no hydrogen 2.733 N/A VAL 253.A N ASP 271.A O no hydrogen 2.889 N/A SER 254.A N VAL 184.A O no hydrogen 2.883 N/A SER 254.A OG THR 270.A OG1 no hydrogen 2.768 N/A LEU 255.A N PHE 269.A O no hydrogen 2.863 N/A LEU 256.A N GLU 182.A O no hydrogen 2.825 N/A GLU 257.A N THR 266.A O no hydrogen 2.794 N/A TYR 258.A N GLY 180.A O no hydrogen 2.723 N/A ILE 263.A N ALA 260.A O no hydrogen 3.297 N/A THR 266.A N GLU 257.A O no hydrogen 2.909 N/A ILE 268.A N LEU 255.A O no hydrogen 2.856 N/A THR 270.A OG1 SER 254.A OG no hydrogen 2.768 N/A ASP 271.A N VAL 253.A O no hydrogen 2.853 N/A THR 272.A OG1 HIS 252.A ND1 no hydrogen 2.733 N/A VAL 273.A N ILE 251.A O no hydrogen 2.944 N/A ILE 274.A N LYS 135.A O no hydrogen 3.106 N/A PHE 275.A N VAL 249.A O no hydrogen 2.841 N/A ARG 276.A N ALA 147.A O no hydrogen 2.918 N/A ARG 276.A NH1 SER 246.A O no hydrogen 2.990 N/A ILE 277.A N GLY 247.A O no hydrogen 2.777 N/A ALA 278.A N LEU 149.A O no hydrogen 2.816 N/A TRP 280.A N GLN 423.A OE1 no hydrogen 2.887 N/A TRP 280.A NE1 VAL 350.A O no hydrogen 3.008 N/A ILE 281.A N TYR 340.A O no hydrogen 3.015 N/A MET 282.A N GLN 426.A OE1 no hydrogen 2.846 N/A ASN 285.A ND2 PHE 447.A O no hydrogen 3.050 N/A LEU 287.A N PRO 284.A O no hydrogen 3.149 N/A VAL 290.A N ARG 621.A O.A no hydrogen 2.754 N/A VAL 290.A N ARG 621.A O.B no hydrogen 2.768 N/A SER 291.A N ARG 621.A O.A no hydrogen 3.352 N/A SER 291.A N ARG 621.A O.B no hydrogen 3.345 N/A SER 291.A OG GLU 317.A OE1 no hydrogen 2.695 N/A VAL 292.A N GLU 317.A O no hydrogen 2.812 N/A PHE 293.A N ASN 619.A O no hydrogen 2.804 N/A VAL 294.A N LYS 319.A O no hydrogen 2.944 N/A CYS 295.A N GLY 617.A O no hydrogen 2.891 N/A CYS 295.A SG ASP 329.A O no hydrogen 3.394 N/A CYS 295.A SG GLY 617.A O no hydrogen 3.998 N/A CYS 296.A N CYS 321.A O.A no hydrogen 3.290 N/A CYS 296.A N CYS 321.A O.B no hydrogen 3.311 N/A CYS 296.A SG MET 297.A O no hydrogen 3.465 N/A ASN 300.A N MET 297.A O no hydrogen 3.073 N/A ASN 300.A ND2 ASP 603.A O no hydrogen 3.109 N/A LEU 304.A N ASN 300.A O no hydrogen 3.307 N/A LYS 305.A N TYR 301.A O no hydrogen 2.906 N/A GLU 306.A N LEU 302.A O no hydrogen 2.894 N/A VAL 307.A N PHE 303.A O no hydrogen 2.886 N/A LYS 308.A N LEU 304.A O no hydrogen 2.926 N/A ASN 309.A N LYS 305.A O no hydrogen 2.948 N/A LEU 310.A N GLU 306.A O no hydrogen 2.982 N/A VAL 311.A N VAL 307.A O no hydrogen 2.943 N/A GLU 312.A N LYS 308.A O no hydrogen 2.940 N/A LYS 313.A N LEU 310.A O no hydrogen 3.119 N/A LYS 313.A NZ ASP 566.A OD1 no hydrogen 2.689 N/A THR 314.A N VAL 311.A O no hydrogen 2.851 N/A THR 314.A OG1 VAL 311.A O no hydrogen 2.586 N/A CYS 316.A N THR 314.A OG1 no hydrogen 3.118 N/A CYS 316.A SG PRO 289.A O no hydrogen 3.799 N/A CYS 316.A SG THR 314.A OG1 no hydrogen 3.439 N/A GLU 317.A N VAL 290.A O no hydrogen 3.242 N/A LYS 319.A N VAL 292.A O no hydrogen 2.786 N/A CYS 321.A N.A VAL 294.A O no hydrogen 2.779 N/A CYS 321.A N.B VAL 294.A O no hydrogen 2.786 N/A CYS 321.A SG.B PHE 322.A O no hydrogen 3.179 N/A CYS 321.A SG.B TYR 324.A OH no hydrogen 3.706 N/A GLN 323.A NE2 ASP 329.A O no hydrogen 2.931 N/A ASN 326.A ND2 GLY 358.A O no hydrogen 2.810 N/A ARG 327.A N TYR 324.A O no hydrogen 3.440 N/A ARG 327.A NH1 GLU 335.A OE1 no hydrogen 2.961 N/A ARG 327.A NH1 ASP 353.A OD1 no hydrogen 3.301 N/A ARG 327.A NH2 ASP 353.A OD1 no hydrogen 3.518 N/A ARG 327.A NH2 ASP 353.A OD2 no hydrogen 3.320 N/A GLY 328.A N GLU 335.A OE2 no hydrogen 2.796 N/A ARG 330.A NE CYS 616.A O no hydrogen 2.854 N/A ARG 330.A NH2 ASN 559.A OD1 no hydrogen 3.320 N/A TRP 331.A N GLY 328.A O no hydrogen 3.181 N/A ALA 333.A N ARG 330.A O no hydrogen 2.837 N/A ASP 334.A N ARG 330.A O no hydrogen 2.963 N/A GLU 335.A N TRP 331.A O no hydrogen 2.777 N/A GLU 337.A N LEU 352.A O no hydrogen 3.044 N/A GLY 339.A N VAL 350.A O no hydrogen 3.026 N/A TYR 340.A N ILE 281.A O no hydrogen 2.834 N/A ILE 341.A N PHE 348.A O no hydrogen 3.063 N/A ALA 343.A N LYS 346.A O no hydrogen 2.603 N/A LYS 346.A N ALA 343.A O no hydrogen 2.981 N/A LYS 346.A NZ PRO 344.A O no hydrogen 3.424 N/A PHE 348.A N ILE 341.A O no hydrogen 3.150 N/A VAL 350.A N GLY 339.A O no hydrogen 2.827 N/A VAL 351.A N GLY 366.A O no hydrogen 2.802 N/A LEU 352.A N GLU 337.A O no hydrogen 2.911 N/A ASP 353.A N VAL 368.A O no hydrogen 2.708 N/A SER 354.A N GLU 335.A O no hydrogen 2.877 N/A ARG 356.A N GLU 335.A OE1 no hydrogen 3.186 N/A ARG 356.A NH2 LEU 325.A O no hydrogen 3.298 N/A ARG 356.A NH2 ASP 357.A OD1 no hydrogen 3.446 N/A ASP 357.A N ASN 326.A O no hydrogen 3.060 N/A GLY 366.A N PRO 349.A O no hydrogen 2.856 N/A TYR 367.A N CYS 153.A O no hydrogen 2.977 N/A TYR 367.A OH GLY 362.A O no hydrogen 2.902 N/A VAL 368.A N VAL 351.A O no hydrogen 2.869 N/A ARG 370.A N ASP 353.A O no hydrogen 3.006 N/A THR 372.A N ASP 375.A OD2 no hydrogen 2.932 N/A SER 373.A OG.A VAL 438.A O no hydrogen 2.314 N/A SER 373.A OG.B VAL 438.A O no hydrogen 2.486 N/A SER 373.A OG.B HIS 440.A NE2 no hydrogen 3.185 N/A LEU 374.A N THR 372.A OG1 no hydrogen 3.199 N/A ASP 375.A N THR 372.A O no hydrogen 3.169 N/A SER 376.A N SER 373.A O.A no hydrogen 3.262 N/A SER 376.A N SER 373.A O.B no hydrogen 3.376 N/A PHE 377.A N ASP 334.A O no hydrogen 2.860 N/A GLY 378.A N SER 376.A OG no hydrogen 2.812 N/A ASN 379.A N SER 376.A O no hydrogen 2.920 N/A ASN 379.A ND2 LEU 374.A O no hydrogen 3.011 N/A ASN 379.A ND2 GLY 401.A O no hydrogen 2.951 N/A LEU 380.A N PHE 377.A O no hydrogen 3.051 N/A GLU 381.A N LEU 399.A O no hydrogen 2.984 N/A SER 383.A N ARG 397.A O no hydrogen 2.860 N/A SER 383.A OG PRO 384.A O no hydrogen 2.824 N/A SER 383.A OG ARG 397.A O no hydrogen 3.553 N/A VAL 386.A N TYR 393.A O no hydrogen 3.237 N/A THR 387.A OG1 THR 392.A OG1.A no hydrogen 3.001 N/A VAL 388.A N LYS 391.A O no hydrogen 2.769 N/A LYS 391.A N VAL 388.A O no hydrogen 2.958 N/A THR 392.A OG1.A THR 387.A OG1 no hydrogen 3.001 N/A TYR 393.A N VAL 386.A O no hydrogen 2.787 N/A GLY 396.A N TYR 393.A O no hydrogen 2.973 N/A ARG 397.A N SER 383.A OG no hydrogen 2.876 N/A ARG 397.A NE ALA 427.A O no hydrogen 2.887 N/A ARG 397.A NH1 GLU 527.A O no hydrogen 3.000 N/A ARG 397.A NH1 GLU 527.A OE1 no hydrogen 3.032 N/A ARG 397.A NH2 ALA 427.A O no hydrogen 3.176 N/A ILE 398.A N GLN 426.A O no hydrogen 2.891 N/A LEU 399.A N GLU 381.A O no hydrogen 2.791 N/A ILE 400.A N VAL 429.A O no hydrogen 2.972 N/A GLY 401.A N ASN 379.A O no hydrogen 3.372 N/A SER 402.A N LEU 431.A O no hydrogen 2.823 N/A SER 402.A OG SER 403.A O no hydrogen 3.459 N/A SER 402.A OG GLU 430.A OE2 no hydrogen 3.250 N/A SER 403.A N SER 402.A OG no hydrogen 2.691 N/A SER 403.A OG ARG 410.A O no hydrogen 2.663 N/A SER 407.A N PHE 404.A O no hydrogen 3.080 N/A SER 407.A OG PHE 404.A O no hydrogen 2.666 N/A GLY 409.A N SER 407.A OG no hydrogen 2.969 N/A ARG 410.A N ASP 434.A OD1 no hydrogen 3.006 N/A ARG 410.A NE ASP 434.A OD2 no hydrogen 2.642 N/A ARG 410.A NH1 THR 437.A O no hydrogen 3.083 N/A ARG 410.A NH2 ASP 434.A OD2 no hydrogen 2.953 N/A ARG 410.A NH2 LEU 436.A O no hydrogen 2.846 N/A ARG 410.A NH2 THR 437.A O no hydrogen 3.150 N/A ARG 411.A NE GLU 430.A OE2 no hydrogen 3.070 N/A ARG 411.A NH2 GLU 430.A OE1 no hydrogen 2.976 N/A THR 413.A N ASP 375.A OD1 no hydrogen 2.802 N/A LYS 414.A NZ ASP 418.A OD2 no hydrogen 2.557 N/A VAL 416.A N THR 413.A O no hydrogen 3.144 N/A ARG 417.A N THR 413.A O no hydrogen 3.097 N/A ARG 417.A NE MET 412.A O no hydrogen 2.867 N/A ASP 418.A N LYS 414.A O no hydrogen 2.777 N/A PHE 419.A N VAL 415.A O no hydrogen 3.096 N/A LEU 420.A N VAL 416.A O no hydrogen 2.986 N/A LYS 421.A N ARG 417.A O no hydrogen 2.973 N/A ALA 422.A N ASP 418.A O no hydrogen 2.927 N/A GLN 423.A N PHE 419.A O no hydrogen 3.295 N/A GLN 423.A N LEU 420.A O no hydrogen 3.356 N/A GLN 423.A NE2 PRO 241.A O no hydrogen 2.936 N/A GLN 423.A NE2 PHE 419.A O no hydrogen 2.893 N/A GLN 424.A N LYS 421.A O no hydrogen 3.081 N/A VAL 425.A N GLN 423.A O no hydrogen 2.770 N/A GLN 426.A NE2 MET 282.A O no hydrogen 2.874 N/A GLN 426.A NE2 LEU 395.A O no hydrogen 2.847 N/A ALA 427.A N GLN 424.A O no hydrogen 3.261 N/A VAL 429.A N ILE 398.A O no hydrogen 2.828 N/A LEU 431.A N ILE 400.A O no hydrogen 2.782 N/A TYR 432.A N ASN 520.A OD1 no hydrogen 2.776 N/A SER 433.A N SER 402.A O no hydrogen 2.943 N/A SER 433.A OG ASN 379.A OD1 no hydrogen 3.290 N/A SER 433.A OG GLY 439.A O no hydrogen 2.796 N/A ASP 434.A N SER 402.A O no hydrogen 3.173 N/A TRP 435.A NE1 TYR 432.A O no hydrogen 2.979 N/A LEU 436.A N SER 433.A O no hydrogen 3.098 N/A THR 437.A N ALA 550.A O no hydrogen 2.889 N/A THR 437.A OG1 ASP 545.A OD1 no hydrogen 2.737 N/A THR 437.A OG1 ALA 550.A O no hydrogen 3.386 N/A HIS 440.A N GLU 443.A OE2 no hydrogen 2.922 N/A HIS 440.A NE2 SER 373.A O.A no hydrogen 2.736 N/A HIS 440.A NE2 SER 373.A O.B no hydrogen 2.684 N/A VAL 441.A N ASN 379.A OD1 no hydrogen 3.040 N/A ASP 442.A N GLY 378.A O no hydrogen 3.158 N/A GLU 443.A N HIS 440.A O no hydrogen 2.969 N/A PHE 444.A N VAL 441.A O no hydrogen 3.048 N/A MET 445.A N VAL 441.A O no hydrogen 3.212 N/A SER 446.A N LEU 459.A O no hydrogen 3.075 N/A SER 446.A OG.A VAL 558.A O no hydrogen 2.916 N/A VAL 448.A N LEU 457.A O no hydrogen 3.062 N/A ILE 450.A N LYS 455.A O no hydrogen 2.998 N/A THR 453.A N ILE 450.A O no hydrogen 3.129 N/A THR 453.A OG1 ILE 450.A O no hydrogen 2.855 N/A LYS 455.A N THR 453.A OG1 no hydrogen 2.968 N/A LEU 457.A N VAL 448.A O no hydrogen 2.832 N/A LEU 458.A N ASP 534.A O no hydrogen 2.794 N/A LEU 459.A N SER 446.A O no hydrogen 2.800 N/A MET 460.A N ILE 536.A O no hydrogen 2.961 N/A ALA 461.A N PHE 444.A O no hydrogen 2.925 N/A SER 462.A N LEU 538.A O no hydrogen 2.781 N/A SER 462.A OG GLN 514.A OE1 no hydrogen 3.504 N/A THR 463.A N GLN 514.A OE1 no hydrogen 2.735 N/A THR 463.A OG1 ASN 510.A O no hydrogen 2.917 N/A THR 463.A OG1 GLN 514.A OE1 no hydrogen 3.238 N/A SER 464.A N GLN 514.A OE1 no hydrogen 3.015 N/A SER 464.A OG.B SER 462.A OG no hydrogen 2.889 N/A ALA 465.A N SER 462.A OG no hydrogen 2.998 N/A TYR 467.A N THR 463.A O no hydrogen 2.954 N/A LYS 468.A N SER 464.A O no hydrogen 2.996 N/A LEU 469.A N ALA 465.A O no hydrogen 3.113 N/A PHE 470.A N CYS 466.A O no hydrogen 2.912 N/A ARG 471.A N TYR 467.A O no hydrogen 2.915 N/A GLU 472.A N LYS 468.A O no hydrogen 2.974 N/A LYS 473.A N LEU 469.A O no hydrogen 2.944 N/A GLN 474.A N PHE 470.A O no hydrogen 2.937 N/A GLN 474.A NE2 ASN 498.A OD1 no hydrogen 2.743 N/A LYS 475.A N ARG 471.A O no hydrogen 2.993 N/A ASP 476.A N GLU 472.A O no hydrogen 2.945 N/A GLY 477.A N GLN 474.A O no hydrogen 3.007 N/A HIS 478.A N LYS 473.A O no hydrogen 2.915 N/A ALA 481.A N HIS 478.A O no hydrogen 3.017 N/A MET 483.A N ILE 495.A O no hydrogen 2.801 N/A PHE 484.A N PHE 573.A O no hydrogen 2.903 N/A LEU 487.A N PHE 484.A O no hydrogen 3.022 N/A GLY 489.A N HIS 608.A O no hydrogen 2.821 N/A MET 490.A N.A LEU 487.A O no hydrogen 2.961 N/A MET 490.A N.B LEU 487.A O no hydrogen 2.990 N/A SER 491.A N GLY 488.A O no hydrogen 3.400 N/A SER 491.A OG LEU 487.A O no hydrogen 3.536 N/A LYS 493.A N MET 490.A O.A no hydrogen 2.948 N/A LYS 493.A N MET 490.A O.B no hydrogen 3.326 N/A ARG 494.A N SER 491.A O no hydrogen 3.052 N/A ILE 497.A N ALA 481.A O no hydrogen 3.158 N/A ASN 498.A N GLY 479.A O no hydrogen 2.828 N/A ASN 498.A ND2 GLU 480.A OE2 no hydrogen 3.051 N/A LYS 499.A N THR 496.A OG1 no hydrogen 2.974 N/A LYS 499.A NZ ARG 494.A O no hydrogen 2.961 N/A ILE 500.A N THR 496.A O no hydrogen 3.012 N/A LEU 501.A N ILE 497.A O no hydrogen 2.932 N/A SER 502.A N ASN 498.A O no hydrogen 3.038 N/A SER 502.A OG.A ASN 498.A O no hydrogen 3.071 N/A SER 502.A OG.B ASN 498.A O no hydrogen 3.095 N/A SER 502.A OG.B LYS 499.A O no hydrogen 3.446 N/A ASN 503.A N ILE 500.A O no hydrogen 3.176 N/A SER 505.A OG ASN 503.A OD1 no hydrogen 3.156 N/A LEU 506.A N ASN 503.A OD1 no hydrogen 3.149 N/A VAL 507.A N ASN 503.A O no hydrogen 3.104 N/A GLN 508.A N GLU 504.A O.A no hydrogen 3.239 N/A GLN 508.A N GLU 504.A O.B no hydrogen 3.176 N/A GLU 509.A N SER 505.A O no hydrogen 2.899 N/A ASN 510.A N LEU 506.A O no hydrogen 2.992 N/A ASN 510.A ND2 LEU 506.A O no hydrogen 2.989 N/A ASN 510.A ND2 PHE 542.A O no hydrogen 2.861 N/A LEU 511.A N VAL 507.A O no hydrogen 2.984 N/A TYR 512.A N GLN 508.A O no hydrogen 3.167 N/A PHE 513.A N GLU 509.A O no hydrogen 2.892 N/A GLN 514.A N ASN 510.A O no hydrogen 2.864 N/A GLN 514.A NE2 ASP 518.A OD1 no hydrogen 2.962 N/A ARG 515.A N LEU 511.A O no hydrogen 3.111 N/A CYS 516.A N TYR 512.A O no hydrogen 3.110 N/A CYS 516.A SG TYR 512.A O no hydrogen 3.530 N/A LEU 517.A N PHE 513.A O no hydrogen 2.925 N/A ASP 518.A N GLN 514.A O no hydrogen 2.862 N/A TRP 519.A N ARG 515.A O no hydrogen 2.955 N/A ASN 520.A N CYS 516.A O no hydrogen 3.275 N/A ASN 520.A ND2 TYR 432.A O no hydrogen 2.866 N/A ASN 520.A ND2 CYS 516.A O no hydrogen 2.960 N/A ARG 521.A N LEU 517.A O no hydrogen 2.857 N/A ARG 521.A NE GLU 532.A OE2 no hydrogen 2.906 N/A ARG 521.A NH1 ASP 537.A OD1 no hydrogen 3.493 N/A ARG 521.A NH1 ASP 537.A OD2 no hydrogen 2.936 N/A ARG 521.A NH2 GLU 532.A OE1 no hydrogen 2.810 N/A ARG 521.A NH2 ASP 537.A OD1 no hydrogen 2.978 N/A ASP 522.A N ASP 518.A O no hydrogen 3.031 N/A ILE 523.A N TRP 519.A O no hydrogen 3.255 N/A LEU 524.A N ASN 520.A O no hydrogen 2.890 N/A LYS 525.A N ARG 521.A O no hydrogen 2.950 N/A LYS 525.A NZ GLU 532.A OE2 no hydrogen 2.794 N/A LYS 526.A N ASP 522.A O no hydrogen 3.029 N/A GLU 527.A N ILE 523.A O no hydrogen 2.802 N/A LEU 528.A N LEU 524.A O no hydrogen 2.925 N/A LEU 530.A N LYS 525.A O no hydrogen 3.083 N/A THR 531.A N ASP 534.A OD2 no hydrogen 2.810 N/A THR 531.A OG1 GLN 533.A OE1 no hydrogen 3.217 N/A THR 531.A OG1 ASP 534.A OD2 no hydrogen 3.387 N/A GLN 533.A N THR 531.A OG1 no hydrogen 3.242 N/A ASP 534.A N THR 531.A O no hydrogen 2.924 N/A ILE 535.A N GLU 532.A O no hydrogen 3.313 N/A ILE 536.A N LEU 458.A O no hydrogen 2.972 N/A LEU 538.A N MET 460.A O no hydrogen 2.883 N/A ALA 540.A N SER 462.A O no hydrogen 2.958 N/A PHE 542.A N ASN 510.A OD1 no hydrogen 2.952 N/A LYS 543.A N ARG 551.A O no hydrogen 2.777 N/A ASP 545.A N ARG 549.A O no hydrogen 2.844 N/A ASP 547.A N ASP 545.A OD2 no hydrogen 2.837 N/A HIS 548.A N ASP 545.A O no hydrogen 3.028 N/A ARG 549.A N ASP 545.A OD2 no hydrogen 2.865 N/A ARG 549.A NE ASP 434.A O no hydrogen 2.731 N/A ARG 549.A NH2 ASP 434.A OD1 no hydrogen 2.995 N/A ALA 550.A N TRP 435.A O no hydrogen 2.750 N/A ARG 551.A N LYS 543.A O no hydrogen 2.929 N/A PHE 553.A N LEU 541.A O no hydrogen 2.795 N/A ASN 559.A N ASN 556.A O no hydrogen 3.481 N/A ILE 561.A N GLY 568.A O no hydrogen 2.789 N/A LEU 563.A N ASP 566.A O no hydrogen 2.792 N/A LYS 565.A NZ ASP 566.A OD2 no hydrogen 2.826 N/A LYS 565.A NZ GLU 597.A OE1.A no hydrogen 3.278 N/A LYS 565.A NZ GLU 597.A OE2.A no hydrogen 3.259 N/A ASP 566.A N LEU 563.A O no hydrogen 2.939 N/A LEU 567.A N GLU 597.A O no hydrogen 2.901 N/A GLY 568.A N ILE 561.A O no hydrogen 2.850 N/A ILE 569.A N THR 599.A O no hydrogen 2.834 N/A LYS 571.A N.A ILE 601.A O no hydrogen 2.942 N/A LYS 571.A N.B ILE 601.A O no hydrogen 2.933 N/A LYS 571.A NZ.A GLU 584.A OE2 no hydrogen 2.733 N/A VAL 577.A N GLU 580.A O no hydrogen 2.844 N/A GLU 580.A N VAL 577.A O no hydrogen 3.112 N/A CYS 582.A N PRO 575.A O no hydrogen 2.917 N/A CYS 582.A SG PRO 575.A O no hydrogen 3.483 N/A MET 585.A N CYS 581.A O no hydrogen 3.014 N/A HIS 586.A N CYS 582.A O no hydrogen 3.043 N/A VAL 587.A N LEU 583.A O no hydrogen 2.946 N/A ARG 588.A N GLU 584.A O no hydrogen 2.898 N/A ARG 588.A NH1 GLU 592.A OE2 no hydrogen 2.772 N/A ARG 588.A NH1 CYS 598.A O no hydrogen 2.991 N/A ARG 588.A NH2 CYS 598.A O no hydrogen 3.355 N/A GLY 589.A N MET 585.A O no hydrogen 3.016 N/A LEU 590.A N HIS 586.A O no hydrogen 3.131 N/A LEU 590.A N VAL 587.A O no hydrogen 3.091 N/A LEU 591.A N VAL 587.A O no hydrogen 3.003 N/A GLU 592.A N ARG 588.A O no hydrogen 2.861 N/A LEU 594.A N LEU 591.A O no hydrogen 3.033 N/A GLY 595.A N GLU 592.A O no hydrogen 2.908 N/A GLU 597.A N LYS 565.A O no hydrogen 2.807 N/A THR 599.A N LEU 567.A O no hydrogen 2.970 N/A ILE 601.A N ILE 569.A O no hydrogen 2.814 N/A ASP 602.A N GLU 306.A OE1 no hydrogen 2.844 N/A SER 605.A N ASP 602.A OD2 no hydrogen 2.827 N/A SER 605.A OG ASP 602.A OD1 no hydrogen 2.564 N/A SER 605.A OG ASP 602.A OD2 no hydrogen 3.371 N/A TYR 607.A N ILE 604.A O no hydrogen 2.804 N/A HIS 608.A N SER 605.A O no hydrogen 3.048 N/A HIS 615.A ND1 ASP 329.A OD2 no hydrogen 3.233 N/A GLY 617.A N CYS 295.A O no hydrogen 3.012 N/A ASN 619.A N PHE 293.A O no hydrogen 2.847 N/A ASN 619.A ND2 ILE 332.A O no hydrogen 2.821 N/A ARG 621.A N.A SER 291.A O no hydrogen 2.871 N/A ARG 621.A N.B SER 291.A O no hydrogen 2.891 N/A ARG 622.A NH1 LEU 287.A O no hydrogen 2.938 N/A ARG 622.A NH1 VAL 562.A O no hydrogen 3.280 N/A ARG 622.A NH2 VAL 562.A O no hydrogen 2.826 N/A LYS 623.A N PRO 288.A O no hydrogen 2.892 N/A LYS 628.A NZ GLU 342.A OE1 no hydrogen 2.690 N/A TRP 629.A NE1 GLU 342.A O no hydrogen 2.815 N/A HIS 631.A N LYS 628.A O no hydrogen 2.894 N/A MET 632.A N.A TRP 629.A O no hydrogen 3.072 N/A MET 632.A N.B TRP 629.A O no hydrogen 3.073 N/A