Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n20_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N TYR 22.A O no hydrogen 2.765 N/A ARG 3.A NH1 VAL 16.A O no hydrogen 2.606 N/A ARG 3.A NH2 VAL 16.A O no hydrogen 3.562 N/A VAL 5.A N TRP 24.A O no hydrogen 3.097 N/A ARG 6.A NH1 ASP 26.A OD2.A no hydrogen 2.737 N/A LEU 7.A N ASP 26.A O.A no hydrogen 3.431 N/A LEU 7.A N ASP 26.A O.B no hydrogen 3.399 N/A GLY 10.A N GLN 106.A O no hydrogen 3.140 N/A ARG 12.A N SER 11.A OG no hydrogen 2.718 N/A VAL 13.A N GLY 108.A O no hydrogen 2.955 N/A ALA 15.A N PHE 110.A O no hydrogen 2.863 N/A TYR 17.A N THR 112.A O no hydrogen 2.806 N/A LEU 19.A N ILE 114.A O no hydrogen 2.913 N/A THR 21.A N VAL 18.A O no hydrogen 3.149 N/A THR 21.A OG1 VAL 18.A O no hydrogen 2.654 N/A TYR 22.A N ARG 1.A O no hydrogen 2.926 N/A LEU 23.A N VAL 77.A O no hydrogen 2.939 N/A TRP 24.A N ARG 3.A O no hydrogen 2.897 N/A TRP 24.A NE1 THR 4.A OG1 no hydrogen 2.465 N/A THR 25.A N LEU 75.A O no hydrogen 2.768 N/A THR 25.A OG1 VAL 5.A O no hydrogen 3.360 N/A TYR 28.A N ASP 26.A OD1.B no hydrogen 2.773 N/A SER 29.A N ASP 26.A OD1.A no hydrogen 2.796 N/A SER 29.A N ASP 26.A OD1.B no hydrogen 3.056 N/A SER 29.A OG ASP 26.A OD1.A no hydrogen 3.358 N/A SER 29.A OG ASP 26.A OD2.A no hydrogen 2.643 N/A SER 29.A OG ASP 26.A OD2.B no hydrogen 3.193 N/A ALA 31.A N TYR 28.A O no hydrogen 3.288 N/A ALA 35.A N PRO 32.A O no hydrogen 3.123 N/A GLN 36.A N TYR 96.A O no hydrogen 2.747 N/A GLN 36.A NE2 GLY 34.A O no hydrogen 3.152 N/A THR 37.A N TYR 96.A O no hydrogen 3.306 N/A PHE 38.A N TRP 67.A O no hydrogen 2.973 N/A SER 39.A N ASN 94.A O no hydrogen 2.945 N/A SER 39.A OG TYR 96.A OH no hydrogen 2.679 N/A LYS 41.A N THR 92.A O no hydrogen 2.888 N/A HIS 42.A N THR 61.A O no hydrogen 2.991 N/A HIS 42.A ND1 SER 43.A O.A no hydrogen 2.782 N/A HIS 42.A ND1 SER 43.A O.B no hydrogen 2.666 N/A HIS 42.A NE2 VAL 59.A O no hydrogen 2.740 N/A SER 43.A N.A LYS 90.A O no hydrogen 2.992 N/A SER 43.A N.B LYS 90.A O no hydrogen 2.985 N/A SER 43.A OG.A SER 88.A O no hydrogen 3.398 N/A SER 43.A OG.A LYS 90.A O no hydrogen 3.465 N/A SER 43.A OG.B SER 88.A O no hydrogen 2.642 N/A VAL 46.A N SER 43.A O.A no hydrogen 3.294 N/A TRP 47.A N THR 78.A O no hydrogen 2.729 N/A GLU 49.A N ARG 76.A O no hydrogen 2.866 N/A VAL 50.A N GLU 57.A O no hydrogen 2.846 N/A VAL 51.A N THR 74.A O no hydrogen 2.745 N/A ARG 52.A N GLU 55.A O no hydrogen 2.890 N/A ARG 52.A NE GLU 57.A OE1 no hydrogen 3.306 N/A ASP 53.A N SER 72.A O no hydrogen 3.056 N/A GLU 55.A N ARG 52.A O no hydrogen 2.936 N/A GLU 57.A N VAL 50.A O no hydrogen 2.919 N/A VAL 59.A N VAL 48.A O no hydrogen 2.855 N/A ARG 66.A NH1 SER 101.A OG no hydrogen 3.145 N/A TRP 67.A N PHE 38.A O no hydrogen 2.955 N/A TRP 67.A NE1 GLU 57.A OE1 no hydrogen 3.057 N/A LEU 69.A N GLN 36.A O no hydrogen 2.855 N/A SER 70.A OG SER 72.A OG no hydrogen 2.917 N/A SER 72.A N SER 70.A OG no hydrogen 3.015 N/A SER 72.A OG SER 70.A OG no hydrogen 2.917 N/A THR 73.A N SER 70.A O no hydrogen 3.117 N/A THR 74.A N VAL 51.A O no hydrogen 2.830 N/A LEU 75.A N THR 25.A O no hydrogen 2.912 N/A ARG 76.A N GLU 49.A O no hydrogen 2.858 N/A ARG 76.A NE GLU 49.A OE1 no hydrogen 2.831 N/A ARG 76.A NH2 GLU 49.A OE1 no hydrogen 3.417 N/A ARG 76.A NH2 GLU 49.A OE2 no hydrogen 3.055 N/A VAL 77.A N LEU 23.A O no hydrogen 2.860 N/A THR 78.A N TRP 47.A O no hydrogen 2.875 N/A MET 79.A N TYR 17.A OH no hydrogen 3.016 N/A SER 83.A N ALA 113.A O no hydrogen 2.812 N/A SER 83.A OG ASP 89.A OD2 no hydrogen 2.531 N/A THR 84.A N SER 87.A OG no hydrogen 2.835 N/A ALA 86.A N THR 84.A OG1 no hydrogen 2.902 N/A SER 87.A N THR 84.A O no hydrogen 3.220 N/A SER 87.A OG THR 84.A O no hydrogen 3.362 N/A LYS 90.A N SER 43.A OG.A no hydrogen 3.006 N/A LYS 90.A N SER 43.A OG.B no hydrogen 3.089 N/A VAL 91.A N LEU 109.A O no hydrogen 2.908 N/A THR 92.A N LYS 41.A O no hydrogen 2.791 N/A VAL 93.A N ALA 107.A O no hydrogen 2.843 N/A ASN 94.A N SER 39.A O no hydrogen 2.901 N/A TYR 95.A N ASP 105.A O no hydrogen 2.957 N/A TYR 95.A OH VAL 27.A O no hydrogen 2.593 N/A TYR 96.A N THR 37.A O no hydrogen 2.986 N/A TYR 96.A OH SER 39.A OG no hydrogen 2.679 N/A GLU 99.A N GLU 99.A OE1 no hydrogen 2.522 N/A ILE 104.A N TYR 95.A O no hydrogen 2.774 N/A GLN 106.A N ASP 105.A OD1 no hydrogen 2.734 N/A ALA 107.A N VAL 93.A O no hydrogen 2.854 N/A GLY 108.A N SER 11.A O no hydrogen 3.132 N/A LEU 109.A N VAL 91.A O no hydrogen 2.775 N/A PHE 110.A N VAL 13.A O no hydrogen 2.803 N/A LEU 111.A N ASP 89.A O no hydrogen 2.942 N/A THR 112.A N ALA 15.A O no hydrogen 3.083 N/A ALA 113.A N SER 83.A OG no hydrogen 2.783 N/A ILE 114.A N TYR 17.A O no hydrogen 2.867 N/A GLU 115.A N LYS 172.A O no hydrogen 2.783 N/A SER 117.A N ARG 170.A O no hydrogen 2.936 N/A SER 117.A OG ASP 119.A OD1 no hydrogen 2.557 N/A LEU 118.A N ASP 271.A OD2 no hydrogen 2.857 N/A ASP 119.A N ILE 168.A O no hydrogen 2.805 N/A ALA 122.A N GLU 129.A OE2 no hydrogen 2.904 N/A ASP 123.A N GLU 129.A OE2 no hydrogen 2.918 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 3.226 N/A ARG 124.A NH2 THR 139.A O no hydrogen 2.820 N/A ARG 124.A NH2 GLY 146.A O no hydrogen 3.281 N/A ASP 125.A N ASP 121.A OD1 no hydrogen 3.048 N/A ASP 125.A N ASP 123.A OD1 no hydrogen 3.425 N/A GLY 126.A N ASP 121.A OD2 no hydrogen 2.751 N/A VAL 127.A N ASP 125.A OD1 no hydrogen 3.100 N/A GLU 129.A N GLU 129.A OE1 no hydrogen 2.801 N/A ASN 131.A N ASP 119.A OD1 no hydrogen 3.055 N/A ASN 131.A N ASP 119.A OD2 no hydrogen 3.271 N/A ASN 132.A ND2 GLU 129.A OE2 no hydrogen 2.734 N/A ASN 132.A ND2 GLN 145.A OE1 no hydrogen 2.777 N/A LYS 134.A N ASN 132.A OD1 no hydrogen 2.929 N/A LYS 135.A N ASN 132.A O no hydrogen 3.034 N/A LYS 135.A NZ LEU 118.A O no hydrogen 2.744 N/A LYS 135.A NZ ASP 119.A OD1 no hydrogen 3.319 N/A LYS 135.A NZ ASN 131.A OD1 no hydrogen 2.858 N/A LYS 135.A NZ ASP 271.A OD2 no hydrogen 2.746 N/A SER 137.A N.A LYS 134.A O no hydrogen 3.041 N/A SER 137.A N.B LYS 134.A O no hydrogen 3.045 N/A SER 137.A OG.B LYS 134.A O no hydrogen 3.281 N/A TRP 138.A NE1 ALA 147.A O no hydrogen 2.968 N/A THR 139.A N GLN 145.A O no hydrogen 2.836 N/A THR 139.A OG1 GLN 145.A O no hydrogen 3.395 N/A GLY 141.A N TRP 632.A O no hydrogen 2.967 N/A GLY 144.A N GLY 141.A O no hydrogen 2.878 N/A GLN 145.A N THR 139.A OG1 no hydrogen 2.898 N/A GLY 146.A N ALA 122.A O no hydrogen 2.741 N/A LEU 149.A N ARG 276.A O no hydrogen 2.962 N/A ASN 152.A N GLY 237.A O no hydrogen 2.910 N/A ASN 152.A ND2 GLU 236.A OE1 no hydrogen 2.887 N/A CYS 153.A SG VAL 151.A O no hydrogen 3.598 N/A ASP 154.A N ASN 152.A OD1 no hydrogen 3.092 N/A TYR 156.A N TYR 209.A O no hydrogen 2.762 N/A ASP 160.A N SER 157.A O no hydrogen 3.143 N/A LEU 161.A N LYS 158.A O no hydrogen 2.944 N/A LYS 162.A N GLU 159.A O no hydrogen 3.316 N/A MET 164.A N LEU 161.A O no hydrogen 2.921 N/A SER 165.A N VAL 235.A O no hydrogen 2.929 N/A SER 165.A OG ILE 148.A O no hydrogen 2.965 N/A MET 167.A N PHE 233.A O no hydrogen 2.936 N/A ILE 168.A N ASP 119.A O no hydrogen 2.876 N/A LEU 169.A N LEU 231.A O no hydrogen 2.917 N/A ARG 170.A N SER 117.A O no hydrogen 2.860 N/A ARG 170.A NE GLU 230.A OE2 no hydrogen 2.752 N/A ARG 170.A NH1 ASP 119.A OD2 no hydrogen 2.818 N/A ARG 170.A NH1 VAL 128.A O no hydrogen 3.254 N/A ARG 170.A NH1 GLU 129.A O no hydrogen 3.176 N/A ARG 170.A NH2 VAL 128.A O no hydrogen 2.946 N/A THR 171.A N ALA 229.A O no hydrogen 2.989 N/A LYS 172.A N GLU 115.A O no hydrogen 3.100 N/A GLY 173.A N GLY 227.A O no hydrogen 3.158 N/A ASP 175.A N GLU 85.A OE2 no hydrogen 2.868 N/A GLU 182.A N LEU 256.A O no hydrogen 3.060 N/A VAL 184.A N SER 254.A O no hydrogen 2.913 N/A LEU 185.A N HIS 220.A O no hydrogen 2.879 N/A TYR 186.A N HIS 252.A O no hydrogen 2.777 N/A ILE 187.A N LEU 218.A O no hydrogen 2.872 N/A ASP 191.A N SER 188.A OG no hydrogen 3.043 N/A SER 192.A N MET 189.A O no hydrogen 3.091 N/A SER 192.A OG MET 189.A O no hydrogen 2.633 N/A LYS 194.A N ASP 191.A O no hydrogen 2.840 N/A LYS 194.A NZ SER 190.A O no hydrogen 3.025 N/A LYS 194.A NZ ASP 193.A OD1 no hydrogen 2.778 N/A GLY 196.A N GLU 236.A O no hydrogen 3.021 N/A VAL 197.A N LEU 213.A O no hydrogen 3.032 N/A PHE 198.A N PHE 234.A O no hydrogen 2.799 N/A TYR 199.A N.A ILE 210.A O no hydrogen 3.038 N/A TYR 199.A N.B ILE 210.A O no hydrogen 3.006 N/A TYR 199.A OH.A GLU 201.A OE1 no hydrogen 2.404 N/A TYR 199.A OH.A HIS 220.A NE2 no hydrogen 2.960 N/A PHE 205.A N ASN 202.A O no hydrogen 2.998 N/A TYR 209.A N TYR 156.A O no hydrogen 2.991 N/A ILE 210.A N TYR 199.A O.A no hydrogen 2.637 N/A ILE 210.A N TYR 199.A O.B no hydrogen 2.883 N/A ILE 212.A N VAL 197.A O no hydrogen 2.885 N/A GLY 214.A N LYS 217.A O no hydrogen 2.942 N/A LYS 217.A N GLY 214.A O no hydrogen 2.968 N/A LYS 217.A NZ HIS 211.A O no hydrogen 3.020 N/A HIS 220.A N LEU 185.A O no hydrogen 2.780 N/A HIS 220.A NE2 TYR 199.A OH.A no hydrogen 2.960 N/A HIS 220.A NE2 GLU 201.A OE1 no hydrogen 2.382 N/A VAL 222.A N ILE 183.A O no hydrogen 2.936 N/A TYR 224.A OH PRO 174.A O no hydrogen 2.759 N/A GLY 227.A N GLY 173.A O no hydrogen 2.900 N/A ALA 229.A N THR 171.A O no hydrogen 2.943 N/A LEU 231.A N LEU 169.A O no hydrogen 2.907 N/A PHE 233.A N MET 167.A O no hydrogen 2.777 N/A PHE 234.A N PHE 198.A O no hydrogen 2.957 N/A VAL 235.A N SER 165.A O no hydrogen 2.784 N/A GLU 236.A N GLY 196.A O no hydrogen 2.895 N/A GLY 237.A N LEU 150.A O no hydrogen 2.993 N/A LEU 238.A N LYS 194.A O no hydrogen 2.756 N/A CYS 239.A SG ASP 193.A O no hydrogen 4.032 N/A ASP 242.A N PHE 245.A O no hydrogen 2.989 N/A GLU 243.A N ASP 242.A OD1 no hydrogen 2.925 N/A PHE 245.A N ASP 242.A O no hydrogen 3.006 N/A LEU 248.A N SER 246.A OG no hydrogen 3.108 N/A VAL 249.A N PHE 275.A O no hydrogen 2.923 N/A SER 250.A N ASP 191.A OD2 no hydrogen 3.223 N/A ILE 251.A N VAL 273.A O no hydrogen 2.988 N/A HIS 252.A N TYR 186.A O no hydrogen 2.939 N/A HIS 252.A ND1 THR 272.A OG1 no hydrogen 2.736 N/A VAL 253.A N ASP 271.A O no hydrogen 2.874 N/A SER 254.A N VAL 184.A O no hydrogen 2.888 N/A SER 254.A OG THR 270.A OG1 no hydrogen 2.688 N/A LEU 255.A N PHE 269.A O no hydrogen 2.875 N/A LEU 256.A N GLU 182.A O no hydrogen 2.821 N/A GLU 257.A N THR 266.A O no hydrogen 2.779 N/A TYR 258.A N GLY 180.A O no hydrogen 2.760 N/A ILE 263.A N ALA 260.A O no hydrogen 3.356 N/A THR 266.A N GLU 257.A O no hydrogen 2.896 N/A ILE 268.A N.A LEU 255.A O no hydrogen 2.861 N/A ILE 268.A N.B LEU 255.A O no hydrogen 2.911 N/A THR 270.A OG1 SER 254.A OG no hydrogen 2.688 N/A ASP 271.A N VAL 253.A O no hydrogen 2.850 N/A THR 272.A OG1 HIS 252.A ND1 no hydrogen 2.736 N/A VAL 273.A N ILE 251.A O no hydrogen 2.989 N/A ILE 274.A N LYS 135.A O no hydrogen 3.077 N/A PHE 275.A N VAL 249.A O no hydrogen 2.823 N/A ARG 276.A N ALA 147.A O no hydrogen 2.950 N/A ARG 276.A NH1 SER 246.A O no hydrogen 3.016 N/A ILE 277.A N GLY 247.A O no hydrogen 2.774 N/A ALA 278.A N LEU 149.A O no hydrogen 2.855 N/A TRP 280.A N GLN 425.A OE1 no hydrogen 2.889 N/A TRP 280.A NE1 VAL 350.A O no hydrogen 3.030 N/A ILE 281.A N TYR 340.A O no hydrogen 2.982 N/A MET 282.A N GLN 428.A OE1 no hydrogen 2.843 N/A ASN 285.A ND2 PHE 449.A O no hydrogen 3.063 N/A LEU 287.A N PRO 284.A O no hydrogen 3.094 N/A VAL 290.A N ARG 623.A O.A no hydrogen 2.751 N/A VAL 290.A N ARG 623.A O.B no hydrogen 2.754 N/A SER 291.A N ARG 623.A O.A no hydrogen 3.265 N/A SER 291.A N ARG 623.A O.B no hydrogen 3.291 N/A SER 291.A OG GLU 317.A OE1 no hydrogen 2.864 N/A VAL 292.A N GLU 317.A O no hydrogen 2.737 N/A PHE 293.A N ASN 621.A O no hydrogen 2.776 N/A VAL 294.A N LYS 319.A O no hydrogen 3.009 N/A CYS 295.A N GLY 619.A O no hydrogen 2.925 N/A CYS 295.A SG ASP 329.A O no hydrogen 3.424 N/A CYS 296.A N CYS 321.A O.A no hydrogen 3.298 N/A CYS 296.A N CYS 321.A O.B no hydrogen 3.327 N/A CYS 296.A SG MET 297.A O no hydrogen 3.422 N/A ASN 300.A N MET 297.A O no hydrogen 3.036 N/A ASN 300.A ND2 ASP 605.A O.A no hydrogen 3.377 N/A ASN 300.A ND2 ASP 605.A O.B no hydrogen 2.993 N/A LEU 304.A N ASN 300.A O no hydrogen 3.244 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 2.933 N/A VAL 307.A N PHE 303.A O no hydrogen 2.841 N/A LYS 308.A N LEU 304.A O no hydrogen 2.912 N/A ASN 309.A N LYS 305.A O no hydrogen 2.957 N/A LEU 310.A N GLU 306.A O no hydrogen 3.027 N/A VAL 311.A N VAL 307.A O no hydrogen 2.959 N/A GLU 312.A N LYS 308.A O no hydrogen 2.840 N/A LYS 313.A N LEU 310.A O no hydrogen 2.979 N/A LYS 313.A NZ ASP 568.A OD1 no hydrogen 2.798 N/A LYS 313.A NZ GLU 599.A OE2 no hydrogen 2.801 N/A THR 314.A N VAL 311.A O no hydrogen 2.917 N/A THR 314.A OG1 VAL 311.A O no hydrogen 2.730 N/A CYS 316.A N THR 314.A OG1 no hydrogen 2.970 N/A CYS 316.A SG PRO 289.A O no hydrogen 3.709 N/A CYS 316.A SG THR 314.A OG1 no hydrogen 3.433 N/A GLU 317.A N VAL 290.A O no hydrogen 3.213 N/A LYS 319.A N VAL 292.A O no hydrogen 2.730 N/A CYS 321.A N.A VAL 294.A O no hydrogen 2.811 N/A CYS 321.A N.B VAL 294.A O no hydrogen 2.813 N/A CYS 321.A SG.B PHE 322.A O no hydrogen 3.196 N/A CYS 321.A SG.B TYR 324.A OH no hydrogen 3.523 N/A GLN 323.A NE2 ASP 329.A O no hydrogen 2.863 N/A ASN 326.A ND2 GLY 358.A O no hydrogen 2.676 N/A ARG 327.A N TYR 324.A O no hydrogen 3.299 N/A ARG 327.A NH1 GLU 335.A OE1 no hydrogen 2.965 N/A ARG 327.A NH1 ASP 353.A OD1 no hydrogen 3.235 N/A ARG 327.A NH2 ASP 353.A OD1 no hydrogen 3.438 N/A ARG 327.A NH2 ASP 353.A OD2 no hydrogen 3.137 N/A GLY 328.A N GLU 335.A OE2 no hydrogen 2.881 N/A ARG 330.A NE CYS 618.A O no hydrogen 2.891 N/A TRP 331.A N GLY 328.A O no hydrogen 3.164 N/A TRP 331.A NE1 PHE 322.A O no hydrogen 3.347 N/A GLN 333.A N ARG 330.A O no hydrogen 2.855 N/A GLN 333.A NE2 ASP 444.A OD2 no hydrogen 3.008 N/A GLN 333.A NE2 ASN 561.A OD1 no hydrogen 2.963 N/A ASP 334.A N ARG 330.A O no hydrogen 2.954 N/A GLU 335.A N TRP 331.A O no hydrogen 2.767 N/A GLU 337.A N LEU 352.A O no hydrogen 2.974 N/A GLY 339.A N VAL 350.A O no hydrogen 3.034 N/A TYR 340.A N ILE 281.A O no hydrogen 2.820 N/A ILE 341.A N PHE 348.A O no hydrogen 3.060 N/A ALA 343.A N LYS 346.A O no hydrogen 2.755 N/A LYS 346.A N ALA 343.A O no hydrogen 3.015 N/A LYS 346.A NZ PRO 344.A O no hydrogen 2.999 N/A PHE 348.A N ILE 341.A O no hydrogen 3.168 N/A VAL 350.A N GLY 339.A O no hydrogen 2.779 N/A VAL 351.A N GLY 368.A O no hydrogen 2.821 N/A LEU 352.A N GLU 337.A O no hydrogen 2.893 N/A ASP 353.A N VAL 370.A O no hydrogen 2.773 N/A SER 354.A N GLU 335.A O no hydrogen 2.804 N/A ARG 356.A N GLU 335.A OE1 no hydrogen 3.196 N/A ARG 356.A NH2 LEU 325.A O no hydrogen 3.326 N/A ARG 356.A NH2 ASP 357.A OD1 no hydrogen 3.442 N/A ASP 357.A N ASN 326.A O no hydrogen 3.060 N/A ASN 359.A ND2 ASP 353.A OD2 no hydrogen 3.085 N/A GLY 368.A N PRO 349.A O no hydrogen 2.890 N/A TYR 369.A N CYS 153.A O no hydrogen 2.890 N/A TYR 369.A OH GLY 364.A O no hydrogen 2.923 N/A VAL 370.A N VAL 351.A O no hydrogen 2.873 N/A ARG 372.A N ASP 353.A O no hydrogen 2.964 N/A THR 374.A N ASP 377.A OD2 no hydrogen 2.844 N/A SER 375.A OG.A VAL 440.A O no hydrogen 2.261 N/A SER 375.A OG.B VAL 440.A O no hydrogen 2.570 N/A SER 375.A OG.B HIS 442.A NE2 no hydrogen 3.231 N/A LEU 376.A N THR 374.A OG1 no hydrogen 3.159 N/A ASP 377.A N THR 374.A O no hydrogen 3.080 N/A SER 378.A N SER 375.A O.A no hydrogen 3.227 N/A SER 378.A N SER 375.A O.B no hydrogen 3.426 N/A SER 378.A OG ASP 334.A OD1 no hydrogen 2.814 N/A PHE 379.A N ASP 334.A O no hydrogen 2.831 N/A GLY 380.A N SER 378.A OG no hydrogen 2.882 N/A ASN 381.A N SER 378.A O no hydrogen 2.904 N/A ASN 381.A ND2 LEU 376.A O no hydrogen 3.000 N/A ASN 381.A ND2 GLY 403.A O no hydrogen 2.947 N/A LEU 382.A N PHE 379.A O no hydrogen 3.125 N/A GLU 383.A N LEU 401.A O no hydrogen 3.022 N/A SER 385.A N ARG 399.A O no hydrogen 2.846 N/A SER 385.A OG PRO 386.A O no hydrogen 2.825 N/A SER 385.A OG ARG 399.A O no hydrogen 3.568 N/A VAL 388.A N TYR 395.A O no hydrogen 3.230 N/A THR 389.A OG1 THR 394.A OG1.A no hydrogen 3.040 N/A VAL 390.A N LYS 393.A O no hydrogen 2.777 N/A LYS 393.A N VAL 390.A O no hydrogen 3.007 N/A THR 394.A OG1.A THR 389.A OG1 no hydrogen 3.040 N/A TYR 395.A N VAL 388.A O no hydrogen 2.778 N/A GLY 398.A N TYR 395.A O no hydrogen 2.939 N/A ARG 399.A N SER 385.A OG no hydrogen 2.933 N/A ARG 399.A NE ALA 429.A O no hydrogen 2.850 N/A ARG 399.A NH1 GLU 529.A O no hydrogen 3.044 N/A ARG 399.A NH1 GLU 529.A OE1 no hydrogen 2.996 N/A ARG 399.A NH2 ALA 429.A O no hydrogen 3.129 N/A ILE 400.A N GLN 428.A O no hydrogen 2.867 N/A LEU 401.A N GLU 383.A O no hydrogen 2.741 N/A ILE 402.A N VAL 431.A O no hydrogen 2.939 N/A GLY 403.A N ASN 381.A O no hydrogen 3.278 N/A SER 404.A N LEU 433.A O no hydrogen 2.839 N/A SER 404.A OG SER 405.A O no hydrogen 3.499 N/A SER 404.A OG GLU 432.A OE2 no hydrogen 3.134 N/A SER 405.A N SER 404.A OG no hydrogen 2.701 N/A SER 405.A OG ARG 412.A O no hydrogen 2.760 N/A SER 409.A N PHE 406.A O no hydrogen 3.049 N/A SER 409.A OG PHE 406.A O no hydrogen 2.611 N/A GLY 411.A N SER 409.A OG no hydrogen 3.028 N/A ARG 412.A N ASP 436.A OD1 no hydrogen 3.027 N/A ARG 412.A NE ASP 436.A OD2 no hydrogen 2.691 N/A ARG 412.A NH1 THR 439.A O no hydrogen 3.023 N/A ARG 412.A NH2 ASP 436.A OD2 no hydrogen 2.999 N/A ARG 412.A NH2 LEU 438.A O no hydrogen 2.835 N/A ARG 412.A NH2 THR 439.A O no hydrogen 3.126 N/A ARG 413.A NE GLU 432.A OE2 no hydrogen 2.963 N/A ARG 413.A NH2 GLU 432.A OE1 no hydrogen 2.977 N/A THR 415.A N ASP 377.A OD1 no hydrogen 2.702 N/A THR 415.A OG1 ASP 377.A OD1 no hydrogen 3.535 N/A LYS 416.A NZ ASP 420.A OD2 no hydrogen 2.703 N/A ARG 419.A N THR 415.A O no hydrogen 3.083 N/A ARG 419.A NE MET 414.A O no hydrogen 2.885 N/A ASP 420.A N LYS 416.A O no hydrogen 2.743 N/A PHE 421.A N VAL 417.A O no hydrogen 3.058 N/A LEU 422.A N VAL 418.A O no hydrogen 2.984 N/A LYS 423.A N ARG 419.A O no hydrogen 2.992 N/A ALA 424.A N ASP 420.A O no hydrogen 2.911 N/A GLN 425.A N PHE 421.A O no hydrogen 3.284 N/A GLN 425.A N LEU 422.A O no hydrogen 3.313 N/A GLN 425.A NE2 PRO 241.A O no hydrogen 2.935 N/A GLN 425.A NE2 PHE 421.A O no hydrogen 2.896 N/A GLN 426.A N LYS 423.A O no hydrogen 3.073 N/A VAL 427.A N GLN 425.A O no hydrogen 2.773 N/A GLN 428.A NE2 MET 282.A O no hydrogen 2.839 N/A GLN 428.A NE2 LEU 397.A O no hydrogen 2.880 N/A ALA 429.A N GLN 426.A O no hydrogen 3.244 N/A VAL 431.A N ILE 400.A O no hydrogen 2.821 N/A LEU 433.A N ILE 402.A O no hydrogen 2.821 N/A TYR 434.A N ASN 522.A OD1 no hydrogen 2.772 N/A SER 435.A N SER 404.A O no hydrogen 2.913 N/A SER 435.A OG ASN 381.A OD1 no hydrogen 3.249 N/A SER 435.A OG GLY 441.A O no hydrogen 2.918 N/A ASP 436.A N SER 404.A O no hydrogen 3.150 N/A TRP 437.A NE1 TYR 434.A O no hydrogen 2.906 N/A LEU 438.A N SER 435.A O no hydrogen 3.058 N/A THR 439.A N ALA 552.A O no hydrogen 2.824 N/A THR 439.A OG1 ASP 547.A OD1 no hydrogen 2.714 N/A THR 439.A OG1 ALA 552.A O no hydrogen 3.350 N/A HIS 442.A N GLU 445.A OE2 no hydrogen 2.923 N/A HIS 442.A NE2 SER 375.A O.A no hydrogen 2.797 N/A HIS 442.A NE2 SER 375.A O.B no hydrogen 2.704 N/A VAL 443.A N ASN 381.A OD1 no hydrogen 2.946 N/A ASP 444.A N GLY 380.A O no hydrogen 3.102 N/A GLU 445.A N HIS 442.A O no hydrogen 3.020 N/A PHE 446.A N VAL 443.A O no hydrogen 3.063 N/A MET 447.A N VAL 443.A O no hydrogen 3.230 N/A SER 448.A N LEU 461.A O no hydrogen 3.053 N/A SER 448.A OG.A VAL 560.A O no hydrogen 3.067 N/A VAL 450.A N LEU 459.A O no hydrogen 3.051 N/A ILE 452.A N LYS 457.A O no hydrogen 2.901 N/A THR 455.A N ILE 452.A O no hydrogen 3.086 N/A THR 455.A OG1 ILE 452.A O no hydrogen 2.663 N/A LYS 457.A N THR 455.A OG1 no hydrogen 2.988 N/A LEU 459.A N VAL 450.A O no hydrogen 2.801 N/A LEU 460.A N ASP 536.A O no hydrogen 2.807 N/A LEU 461.A N SER 448.A O no hydrogen 2.797 N/A MET 462.A N ILE 538.A O no hydrogen 2.942 N/A ALA 463.A N PHE 446.A O no hydrogen 2.872 N/A SER 464.A N LEU 540.A O no hydrogen 2.719 N/A SER 464.A OG GLN 516.A OE1 no hydrogen 3.436 N/A THR 465.A N GLN 516.A OE1 no hydrogen 2.737 N/A THR 465.A OG1 ASN 512.A O no hydrogen 2.855 N/A THR 465.A OG1 GLN 516.A OE1 no hydrogen 3.299 N/A SER 466.A N GLN 516.A OE1 no hydrogen 2.982 N/A SER 466.A OG.B SER 464.A OG no hydrogen 2.983 N/A SER 466.A OG.B GLN 516.A OE1 no hydrogen 3.543 N/A ALA 467.A N SER 464.A OG no hydrogen 2.964 N/A TYR 469.A N THR 465.A O no hydrogen 2.957 N/A LYS 470.A N SER 466.A O no hydrogen 2.990 N/A LEU 471.A N ALA 467.A O no hydrogen 3.085 N/A PHE 472.A N CYS 468.A O no hydrogen 2.903 N/A ARG 473.A N TYR 469.A O no hydrogen 2.875 N/A GLU 474.A N LYS 470.A O no hydrogen 2.970 N/A LYS 475.A N LEU 471.A O no hydrogen 2.967 N/A GLN 476.A N PHE 472.A O no hydrogen 2.901 N/A GLN 476.A NE2 ASN 500.A OD1 no hydrogen 2.767 N/A LYS 477.A N ARG 473.A O no hydrogen 2.989 N/A ASP 478.A N GLU 474.A O no hydrogen 2.908 N/A GLY 479.A N GLN 476.A O no hydrogen 3.005 N/A HIS 480.A N LYS 475.A O no hydrogen 2.907 N/A ALA 483.A N HIS 480.A O no hydrogen 2.967 N/A MET 485.A N ILE 497.A O no hydrogen 2.738 N/A PHE 486.A N PHE 575.A O no hydrogen 2.897 N/A LEU 489.A N PHE 486.A O no hydrogen 3.010 N/A GLY 491.A N HIS 610.A O no hydrogen 2.832 N/A MET 492.A N.A LEU 489.A O no hydrogen 2.932 N/A MET 492.A N.B LEU 489.A O no hydrogen 2.959 N/A SER 493.A N GLY 490.A O no hydrogen 3.407 N/A SER 493.A OG LEU 489.A O no hydrogen 3.479 N/A LYS 495.A N MET 492.A O.A no hydrogen 3.000 N/A LYS 495.A N MET 492.A O.B no hydrogen 3.249 N/A ARG 496.A N SER 493.A O no hydrogen 3.017 N/A ILE 499.A N ALA 483.A O no hydrogen 3.098 N/A ASN 500.A N GLY 481.A O no hydrogen 2.773 N/A ASN 500.A ND2 GLU 482.A OE2 no hydrogen 2.984 N/A LYS 501.A N THR 498.A OG1 no hydrogen 3.033 N/A LYS 501.A NZ ARG 496.A O no hydrogen 2.846 N/A ILE 502.A N THR 498.A O no hydrogen 3.024 N/A LEU 503.A N ILE 499.A O no hydrogen 2.908 N/A SER 504.A N ASN 500.A O no hydrogen 3.013 N/A SER 504.A OG.A ASN 500.A O no hydrogen 3.107 N/A SER 504.A OG.B ASN 500.A O no hydrogen 3.170 N/A SER 504.A OG.B LYS 501.A O no hydrogen 3.396 N/A ASN 505.A N ILE 502.A O no hydrogen 3.101 N/A SER 507.A OG ASN 505.A OD1 no hydrogen 3.178 N/A LEU 508.A N ASN 505.A OD1 no hydrogen 3.160 N/A VAL 509.A N ASN 505.A O no hydrogen 3.065 N/A GLN 510.A N GLU 506.A O.A no hydrogen 3.173 N/A GLN 510.A N GLU 506.A O.B no hydrogen 3.151 N/A GLU 511.A N SER 507.A O no hydrogen 2.851 N/A ASN 512.A N LEU 508.A O no hydrogen 3.008 N/A ASN 512.A ND2 LEU 508.A O no hydrogen 2.974 N/A ASN 512.A ND2 PHE 544.A O no hydrogen 2.850 N/A LEU 513.A N VAL 509.A O no hydrogen 2.924 N/A TYR 514.A N GLN 510.A O no hydrogen 3.130 N/A PHE 515.A N GLU 511.A O no hydrogen 2.879 N/A GLN 516.A N ASN 512.A O no hydrogen 2.863 N/A GLN 516.A NE2 ASP 520.A OD1 no hydrogen 2.923 N/A ARG 517.A N LEU 513.A O no hydrogen 3.096 N/A CYS 518.A N TYR 514.A O no hydrogen 3.092 N/A CYS 518.A SG TYR 514.A O no hydrogen 3.566 N/A LEU 519.A N PHE 515.A O no hydrogen 2.896 N/A ASP 520.A N GLN 516.A O no hydrogen 2.839 N/A TRP 521.A N ARG 517.A O no hydrogen 2.955 N/A ASN 522.A N CYS 518.A O no hydrogen 3.294 N/A ASN 522.A ND2 TYR 434.A O no hydrogen 2.859 N/A ASN 522.A ND2 CYS 518.A O no hydrogen 2.925 N/A ARG 523.A N LEU 519.A O no hydrogen 2.836 N/A ARG 523.A NE GLU 534.A OE1 no hydrogen 3.422 N/A ARG 523.A NE GLU 534.A OE2 no hydrogen 2.850 N/A ARG 523.A NH1 ASP 539.A OD1 no hydrogen 3.450 N/A ARG 523.A NH1 ASP 539.A OD2 no hydrogen 2.841 N/A ARG 523.A NH2 GLU 534.A OE1 no hydrogen 2.806 N/A ARG 523.A NH2 ASP 539.A OD1 no hydrogen 2.944 N/A ASP 524.A N ASP 520.A O no hydrogen 3.000 N/A ILE 525.A N TRP 521.A O no hydrogen 3.274 N/A LEU 526.A N ASN 522.A O no hydrogen 2.842 N/A LYS 527.A N ARG 523.A O no hydrogen 2.929 N/A LYS 527.A NZ GLU 534.A OE2 no hydrogen 2.807 N/A LYS 528.A N ASP 524.A O no hydrogen 2.977 N/A GLU 529.A N ILE 525.A O no hydrogen 2.805 N/A LEU 530.A N LEU 526.A O no hydrogen 2.827 N/A LEU 532.A N LYS 527.A O no hydrogen 3.048 N/A THR 533.A N ASP 536.A OD2 no hydrogen 2.918 N/A THR 533.A OG1 GLN 535.A OE1.A no hydrogen 3.164 N/A THR 533.A OG1 ASP 536.A OD2 no hydrogen 3.441 N/A GLN 535.A N THR 533.A OG1 no hydrogen 3.204 N/A ASP 536.A N THR 533.A O no hydrogen 2.944 N/A ILE 537.A N GLU 534.A O no hydrogen 3.249 N/A ILE 538.A N LEU 460.A O no hydrogen 2.955 N/A LEU 540.A N MET 462.A O no hydrogen 2.812 N/A ALA 542.A N SER 464.A O no hydrogen 2.916 N/A PHE 544.A N ASN 512.A OD1 no hydrogen 2.994 N/A LYS 545.A N ARG 553.A O no hydrogen 2.811 N/A ASP 547.A N ARG 551.A O no hydrogen 2.822 N/A ASP 549.A N ASP 547.A OD2 no hydrogen 2.786 N/A HIS 550.A N ASP 547.A O no hydrogen 2.992 N/A ARG 551.A N ASP 547.A OD2 no hydrogen 2.839 N/A ARG 551.A NE ASP 436.A O no hydrogen 2.698 N/A ARG 551.A NH2 ASP 436.A OD1 no hydrogen 3.095 N/A ALA 552.A N TRP 437.A O no hydrogen 2.731 N/A ARG 553.A N LYS 545.A O no hydrogen 2.931 N/A PHE 555.A N LEU 543.A O no hydrogen 2.851 N/A ASN 561.A N ASN 558.A O no hydrogen 3.314 N/A ILE 563.A N GLY 570.A O no hydrogen 2.856 N/A LEU 565.A N ASP 568.A O no hydrogen 2.782 N/A LYS 567.A NZ ASP 568.A OD2 no hydrogen 3.021 N/A LYS 567.A NZ GLU 599.A OE1 no hydrogen 3.237 N/A ASP 568.A N LEU 565.A O no hydrogen 2.914 N/A LEU 569.A N GLU 599.A O no hydrogen 2.878 N/A GLY 570.A N ILE 563.A O no hydrogen 2.846 N/A ILE 571.A N THR 601.A O no hydrogen 2.740 N/A LYS 573.A N.A ILE 603.A O no hydrogen 2.922 N/A LYS 573.A N.B ILE 603.A O no hydrogen 2.925 N/A LYS 573.A NZ.A GLU 586.A OE2 no hydrogen 2.734 N/A VAL 579.A N GLU 582.A O no hydrogen 2.852 N/A GLU 582.A N VAL 579.A O no hydrogen 3.142 N/A CYS 584.A N PRO 577.A O no hydrogen 2.937 N/A CYS 584.A SG PRO 577.A O no hydrogen 3.430 N/A MET 587.A N CYS 583.A O no hydrogen 3.022 N/A HIS 588.A N CYS 584.A O no hydrogen 2.998 N/A VAL 589.A N LEU 585.A O no hydrogen 2.922 N/A ARG 590.A N GLU 586.A O no hydrogen 2.917 N/A ARG 590.A NH1 GLU 594.A OE2 no hydrogen 2.821 N/A ARG 590.A NH1 CYS 600.A O no hydrogen 2.959 N/A ARG 590.A NH2 CYS 600.A O no hydrogen 3.350 N/A GLY 591.A N MET 587.A O no hydrogen 2.961 N/A LEU 592.A N HIS 588.A O no hydrogen 3.116 N/A LEU 592.A N VAL 589.A O no hydrogen 3.126 N/A LEU 593.A N VAL 589.A O no hydrogen 2.994 N/A GLU 594.A N ARG 590.A O no hydrogen 2.862 N/A LEU 596.A N LEU 593.A O no hydrogen 3.003 N/A GLY 597.A N GLU 594.A O no hydrogen 2.931 N/A GLU 599.A N LYS 567.A O no hydrogen 2.779 N/A THR 601.A N LEU 569.A O no hydrogen 2.885 N/A ILE 603.A N ILE 571.A O no hydrogen 2.797 N/A ASP 604.A N GLU 306.A OE1 no hydrogen 2.805 N/A SER 607.A N ASP 604.A OD2 no hydrogen 2.816 N/A SER 607.A OG ASP 604.A OD1 no hydrogen 2.576 N/A SER 607.A OG ASP 604.A OD2 no hydrogen 3.417 N/A TYR 609.A N ILE 606.A O no hydrogen 2.816 N/A HIS 610.A N SER 607.A O no hydrogen 2.983 N/A HIS 617.A ND1 ASP 329.A OD2 no hydrogen 2.883 N/A CYS 618.A SG ASP 605.A O.A no hydrogen 3.900 N/A CYS 618.A SG ASP 605.A O.B no hydrogen 4.046 N/A GLY 619.A N CYS 295.A O no hydrogen 2.963 N/A THR 620.A N GLN 333.A OE1 no hydrogen 3.155 N/A ASN 621.A N PHE 293.A O no hydrogen 2.849 N/A ASN 621.A ND2 ILE 332.A O no hydrogen 2.816 N/A VAL 622.A N ASN 621.A OD1 no hydrogen 2.990 N/A ARG 623.A N.A SER 291.A O no hydrogen 2.890 N/A ARG 623.A N.B SER 291.A O no hydrogen 2.896 N/A ARG 624.A NH1 LEU 287.A O no hydrogen 2.986 N/A ARG 624.A NH1 VAL 564.A O no hydrogen 3.214 N/A ARG 624.A NH2 VAL 564.A O no hydrogen 2.841 N/A LYS 625.A N PRO 288.A O no hydrogen 2.871 N/A LYS 630.A NZ GLU 342.A OE1 no hydrogen 2.567 N/A TRP 631.A NE1 GLU 342.A O no hydrogen 2.775 N/A HIS 633.A N LYS 630.A O no hydrogen 2.872 N/A MET 634.A N.A TRP 631.A O no hydrogen 3.034 N/A MET 634.A N.B TRP 631.A O no hydrogen 3.024 N/A