Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4h0w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A NZ GLU 265.A OE1 no hydrogen 2.771 N/A LYS 4.A NZ GLU 265.A OE2 no hydrogen 2.954 N/A THR 5.A OG1 SER 36.A OG no hydrogen 3.227 N/A VAL 6.A N SER 36.A O no hydrogen 2.969 N/A ARG 7.A N ASP 58.A OD2 no hydrogen 2.855 N/A ARG 7.A NE ASP 58.A OD2 no hydrogen 3.002 N/A ARG 7.A NH1 ASN 55.A O no hydrogen 2.810 N/A ARG 7.A NH2 ASN 55.A O no hydrogen 2.967 N/A ARG 7.A NH2 ASN 55.A OD1 no hydrogen 3.027 N/A ARG 7.A NH2 ASP 58.A OD1 no hydrogen 2.851 N/A TRP 8.A N ALA 38.A O no hydrogen 2.708 N/A CYS 9.A N ALA 59.A O no hydrogen 2.898 N/A CYS 9.A SG VAL 40.A O no hydrogen 3.853 N/A ALA 10.A N VAL 40.A O no hydrogen 2.869 N/A VAL 11.A N GLU 15.A OE1 no hydrogen 2.889 N/A GLU 15.A N SER 12.A OG no hydrogen 3.299 N/A ALA 16.A N SER 12.A O no hydrogen 2.906 N/A THR 17.A N GLU 13.A O no hydrogen 2.900 N/A THR 17.A OG1 GLU 13.A O no hydrogen 2.823 N/A LYS 18.A N HIS 14.A O no hydrogen 3.023 N/A LYS 18.A NZ LEU 284.A O no hydrogen 3.019 N/A LYS 18.A NZ SER 286.A O no hydrogen 2.919 N/A LYS 18.A NZ LEU 293.A O no hydrogen 2.979 N/A CYS 19.A N GLU 15.A O no hydrogen 2.782 N/A GLN 20.A N ALA 16.A O no hydrogen 3.222 N/A SER 21.A N THR 17.A O no hydrogen 3.174 N/A PHE 22.A N LYS 18.A O no hydrogen 2.831 N/A ARG 23.A N CYS 19.A O no hydrogen 2.846 N/A ASP 24.A N GLN 20.A O no hydrogen 3.099 N/A HIS 25.A N SER 21.A O no hydrogen 2.947 N/A HIS 25.A ND1 SER 21.A O no hydrogen 3.170 N/A MET 26.A N PHE 22.A O no hydrogen 3.230 N/A LYS 27.A N ARG 23.A O no hydrogen 3.041 N/A SER 28.A N HIS 25.A O no hydrogen 3.302 N/A SER 28.A OG HIS 25.A O no hydrogen 2.678 N/A VAL 29.A N MET 26.A O no hydrogen 3.144 N/A ILE 30.A N MET 26.A O no hydrogen 2.777 N/A GLY 34.A N PRO 31.A O no hydrogen 2.809 N/A SER 36.A N LYS 4.A O no hydrogen 3.163 N/A SER 36.A OG THR 5.A OG1 no hydrogen 3.227 N/A ALA 38.A N VAL 6.A O no hydrogen 2.849 N/A VAL 40.A N TRP 8.A O no hydrogen 2.988 N/A LYS 42.A N ALA 10.A O no hydrogen 2.762 N/A ASP 47.A N SER 44.A OG no hydrogen 3.210 N/A CYS 48.A N SER 44.A O no hydrogen 3.256 N/A CYS 48.A SG ALA 10.A O no hydrogen 3.882 N/A CYS 48.A SG SER 44.A O no hydrogen 3.867 N/A ILE 49.A N TYR 45.A O no hydrogen 3.082 N/A ARG 50.A N LEU 46.A O no hydrogen 2.883 N/A ALA 51.A N ASP 47.A O no hydrogen 2.999 N/A ILE 52.A N CYS 48.A O no hydrogen 2.888 N/A ALA 53.A N ILE 49.A O no hydrogen 3.137 N/A ALA 54.A N ARG 50.A O no hydrogen 3.020 N/A ASN 55.A N ILE 52.A O no hydrogen 3.081 N/A GLU 56.A N ALA 51.A O no hydrogen 2.852 N/A ASP 58.A N ARG 7.A O no hydrogen 2.905 N/A ALA 59.A N ARG 7.A O no hydrogen 3.270 N/A THR 61.A OG1 LEU 294.A O no hydrogen 2.880 N/A LEU 62.A N THR 250.A O no hydrogen 2.693 N/A VAL 67.A N ASP 63.A O no hydrogen 2.994 N/A TYR 68.A N ALA 64.A O no hydrogen 2.951 N/A ASP 69.A N GLY 65.A O no hydrogen 3.208 N/A ALA 70.A N LEU 66.A O no hydrogen 2.623 N/A TYR 71.A N TYR 68.A O no hydrogen 3.086 N/A ASN 75.A N LEU 72.A O no hydrogen 2.936 N/A ASN 75.A ND2 LEU 72.A O no hydrogen 3.585 N/A ASN 76.A N LEU 72.A O no hydrogen 3.304 N/A LEU 77.A N ALA 70.A O no hydrogen 2.943 N/A LYS 78.A N ALA 253.A O no hydrogen 2.779 N/A LYS 78.A NZ SER 255.A O no hydrogen 3.520 N/A LYS 78.A NZ GLU 260.A OE2 no hydrogen 3.054 N/A VAL 80.A N VAL 251.A O no hydrogen 2.689 N/A VAL 81.A N VAL 251.A O no hydrogen 3.386 N/A ALA 82.A N LEU 303.A O no hydrogen 2.805 N/A GLU 83.A N HIS 249.A O no hydrogen 2.959 N/A PHE 84.A N GLY 301.A O no hydrogen 3.064 N/A SER 87.A OG GLU 89.A OE2 no hydrogen 2.779 N/A TYR 95.A N VAL 246.A O no hydrogen 2.780 N/A TYR 96.A N HIS 207.A ND1 no hydrogen 3.247 N/A ALA 97.A N ALA 244.A O no hydrogen 2.821 N/A VAL 98.A N VAL 205.A O no hydrogen 2.911 N/A VAL 100.A N ALA 203.A O no hydrogen 2.959 N/A VAL 101.A N GLU 224.A O no hydrogen 2.962 N/A LYS 103.A N GLN 222.A O no hydrogen 3.111 N/A LYS 103.A NZ ASP 221.A O no hydrogen 2.844 N/A ASP 104.A N GLU 224.A OE1 no hydrogen 3.467 N/A SER 105.A N LYS 102.A O no hydrogen 3.427 N/A SER 105.A OG LYS 102.A O no hydrogen 2.849 N/A GLN 108.A N GLN 111.A OE1 no hydrogen 2.841 N/A GLN 111.A N GLN 108.A O no hydrogen 2.902 N/A GLY 114.A N PHE 153.A O no hydrogen 2.908 N/A LYS 115.A N LEU 112.A O no hydrogen 3.257 N/A LYS 115.A NZ GLN 111.A O no hydrogen 2.700 N/A LYS 115.A NZ ARG 113.A O no hydrogen 3.412 N/A LYS 116.A N ASP 201.A OD2 no hydrogen 3.118 N/A LYS 116.A NZ ALA 199.A O no hydrogen 3.478 N/A SER 117.A N GLY 156.A O no hydrogen 2.976 N/A SER 117.A OG HIS 119.A NE2 no hydrogen 2.766 N/A SER 117.A OG SER 157.A OG no hydrogen 2.918 N/A CYS 118.A N VAL 202.A O no hydrogen 2.737 N/A CYS 118.A SG VAL 202.A O no hydrogen 3.728 N/A HIS 119.A N CYS 158.A O no hydrogen 2.919 N/A HIS 119.A ND1 GLY 127.A O no hydrogen 2.636 N/A HIS 119.A NE2 SER 117.A OG no hydrogen 2.766 N/A LEU 122.A N PRO 160.A O no hydrogen 2.793 N/A ARG 124.A N GLY 121.A O no hydrogen 3.196 N/A SER 125.A OG TYR 95.A OH no hydrogen 2.888 N/A ASN 129.A N ARG 124.A O no hydrogen 2.692 N/A ILE 130.A N SER 125.A O no hydrogen 2.911 N/A ILE 132.A N TRP 128.A O no hydrogen 2.895 N/A GLY 133.A N ASN 129.A O no hydrogen 2.944 N/A LEU 134.A N ILE 130.A O no hydrogen 2.984 N/A LEU 135.A N PRO 131.A O no hydrogen 2.852 N/A TYR 136.A N GLY 133.A O no hydrogen 3.324 N/A ASP 138.A N LEU 135.A O no hydrogen 2.679 N/A LEU 139.A N TYR 136.A O no hydrogen 2.998 N/A ARG 143.A NE TYR 136.A O no hydrogen 3.015 N/A ARG 143.A NE LEU 139.A O no hydrogen 3.000 N/A ARG 143.A NH2 CYS 137.A O no hydrogen 2.880 N/A GLU 147.A N GLU 147.A OE1 no hydrogen 2.802 N/A LYS 148.A N PRO 145.A O no hydrogen 3.218 N/A ALA 149.A N PRO 145.A O no hydrogen 3.367 N/A VAL 150.A N LEU 146.A O no hydrogen 3.016 N/A ALA 151.A N GLU 147.A O no hydrogen 2.924 N/A ASN 152.A N LYS 148.A O no hydrogen 3.128 N/A ASN 152.A N ALA 149.A O no hydrogen 3.249 N/A PHE 153.A N ALA 149.A O no hydrogen 2.980 N/A PHE 153.A N VAL 150.A O no hydrogen 2.926 N/A PHE 154.A N VAL 150.A O no hydrogen 3.018 N/A SER 155.A N LYS 115.A O no hydrogen 3.055 N/A SER 155.A OG GLY 114.A O no hydrogen 2.813 N/A SER 157.A N GLN 169.A O no hydrogen 2.995 N/A SER 157.A OG SER 117.A OG no hydrogen 2.918 N/A CYS 158.A N SER 117.A O no hydrogen 3.036 N/A CYS 158.A SG TYR 185.A O no hydrogen 3.983 N/A ALA 159.A N LEU 170.A O no hydrogen 2.979 N/A CYS 161.A N CYS 177.A O no hydrogen 2.944 N/A ALA 162.A N ALA 159.A O no hydrogen 3.185 N/A ASP 166.A N ASP 163.A OD1 no hydrogen 2.661 N/A PHE 167.A N ASP 163.A O no hydrogen 3.102 N/A LEU 170.A N PHE 167.A O no hydrogen 3.299 N/A CYS 171.A N PRO 168.A O no hydrogen 2.987 N/A GLN 172.A N GLN 169.A O no hydrogen 3.471 N/A LEU 173.A N SER 157.A O no hydrogen 3.013 N/A CYS 174.A N CYS 171.A O no hydrogen 2.804 N/A CYS 177.A N CYS 174.A O no hydrogen 2.784 N/A CYS 177.A SG ALA 159.A O no hydrogen 3.303 N/A CYS 177.A SG LEU 170.A O no hydrogen 3.305 N/A LEU 182.A N SER 180.A OG no hydrogen 3.384 N/A ASN 183.A N SER 180.A O no hydrogen 3.061 N/A ASN 183.A ND2 GLY 178.A O no hydrogen 3.392 N/A TYR 185.A N ASN 183.A OD1 no hydrogen 2.882 N/A TYR 185.A OH ASP 197.A OD2 no hydrogen 3.154 N/A PHE 186.A N ASN 183.A O no hydrogen 3.218 N/A GLY 187.A N THR 120.A O no hydrogen 3.006 N/A ALA 191.A N GLY 187.A O no hydrogen 2.903 N/A PHE 192.A N TYR 188.A O no hydrogen 3.144 N/A LYS 193.A N SER 189.A O no hydrogen 2.888 N/A LYS 193.A NZ ASP 197.A OD2 no hydrogen 2.999 N/A CYS 194.A N GLY 190.A O no hydrogen 2.986 N/A LEU 195.A N ALA 191.A O no hydrogen 3.398 N/A LYS 196.A N PHE 192.A O no hydrogen 2.803 N/A ASP 197.A N LYS 193.A O no hydrogen 2.765 N/A GLY 198.A N LEU 195.A O no hydrogen 3.092 N/A GLY 200.A N CYS 194.A O no hydrogen 3.009 N/A ASP 201.A N LYS 116.A O no hydrogen 2.735 N/A VAL 202.A N LYS 116.A O no hydrogen 3.295 N/A ALA 203.A N VAL 100.A O no hydrogen 2.950 N/A PHE 204.A N CYS 118.A O no hydrogen 3.048 N/A VAL 205.A N VAL 98.A O no hydrogen 3.186 N/A LYS 206.A NZ TYR 188.A OH no hydrogen 2.897 N/A HIS 207.A N TYR 96.A O no hydrogen 2.856 N/A THR 209.A N LYS 206.A O no hydrogen 3.009 N/A THR 209.A OG1 LYS 206.A O no hydrogen 3.378 N/A GLU 212.A N SER 208.A O no hydrogen 2.995 N/A ASN 213.A N ILE 210.A O no hydrogen 3.174 N/A ASN 213.A ND2 THR 209.A O no hydrogen 2.967 N/A LYS 217.A NZ ASP 221.A OD1 no hydrogen 3.535 N/A LYS 217.A NZ ASP 221.A OD2 no hydrogen 2.976 N/A ARG 220.A N ASN 216.A O no hydrogen 2.858 N/A ARG 220.A NE ASP 236.A OD2 no hydrogen 2.967 N/A ARG 220.A NH1 ASP 236.A OD1 no hydrogen 3.023 N/A ASP 221.A N LYS 217.A O no hydrogen 2.703 N/A GLN 222.A N ASP 219.A O no hydrogen 3.159 N/A TYR 223.A N ARG 220.A O no hydrogen 3.002 N/A GLU 224.A N VAL 101.A O no hydrogen 2.801 N/A LEU 225.A N LYS 233.A O no hydrogen 2.840 N/A LEU 226.A N ALA 99.A O no hydrogen 2.905 N/A CYS 227.A N THR 231.A O no hydrogen 3.008 N/A CYS 227.A SG THR 231.A O no hydrogen 3.557 N/A ASN 230.A N CYS 227.A O no hydrogen 3.131 N/A THR 231.A OG1 ASP 229.A OD1 no hydrogen 2.768 N/A THR 231.A OG1 ASP 229.A OD2 no hydrogen 3.504 N/A ARG 232.A NE PHE 107.A O no hydrogen 2.909 N/A ARG 232.A NH1 LYS 102.A O no hydrogen 3.043 N/A ARG 232.A NH1 SER 105.A OG no hydrogen 3.199 N/A ARG 232.A NH1 GLU 224.A OE1 no hydrogen 2.849 N/A ARG 232.A NH2 SER 105.A OG no hydrogen 2.800 N/A ARG 232.A NH2 PHE 107.A O no hydrogen 2.728 N/A LYS 233.A N LEU 225.A O no hydrogen 3.214 N/A GLU 237.A N PRO 234.A O no hydrogen 2.981 N/A TYR 238.A N VAL 235.A O no hydrogen 3.237 N/A ASP 240.A N GLU 237.A O no hydrogen 2.908 N/A CYS 241.A N TYR 238.A O no hydrogen 3.132 N/A HIS 242.A ND1 TYR 238.A O no hydrogen 2.841 N/A LEU 243.A N ALA 97.A O no hydrogen 2.784 N/A VAL 246.A N TYR 95.A O no hydrogen 2.814 N/A SER 248.A N THR 93.A O no hydrogen 2.976 N/A THR 250.A N LEU 62.A O no hydrogen 3.097 N/A VAL 251.A N VAL 81.A O no hydrogen 2.668 N/A VAL 252.A N VAL 60.A O no hydrogen 3.075 N/A ALA 253.A N LYS 78.A O no hydrogen 2.836 N/A ARG 254.A NE ILE 52.A O no hydrogen 2.702 N/A ARG 254.A NH2 ALA 57.A O no hydrogen 2.770 N/A ARG 254.A NH2 ASP 58.A OD1 no hydrogen 2.501 N/A SER 255.A N ASN 76.A O no hydrogen 3.334 N/A SER 255.A OG ASN 76.A O no hydrogen 2.830 N/A LYS 259.A NZ THR 5.A O no hydrogen 3.351 N/A LYS 259.A NZ ASP 58.A OD1 no hydrogen 3.441 N/A LYS 259.A NZ ASP 58.A OD2 no hydrogen 2.983 N/A GLU 260.A N GLU 260.A OE1 no hydrogen 2.900 N/A ILE 263.A N LYS 259.A O no hydrogen 2.964 N/A TRP 264.A N GLU 260.A O no hydrogen 3.081 N/A GLU 265.A N ASP 261.A O no hydrogen 2.901 N/A LEU 266.A N LEU 262.A O no hydrogen 2.871 N/A LEU 267.A N ILE 263.A O no hydrogen 2.965 N/A ASN 268.A N TRP 264.A O no hydrogen 2.648 N/A GLN 269.A N GLU 265.A O no hydrogen 3.088 N/A ALA 270.A N LEU 266.A O no hydrogen 2.878 N/A GLN 271.A N LEU 267.A O no hydrogen 2.987 N/A HIS 273.A N GLN 269.A O no hydrogen 3.165 N/A PHE 274.A N ALA 270.A O no hydrogen 2.663 N/A GLY 275.A N GLN 271.A O no hydrogen 3.161 N/A LYS 278.A N GLY 275.A O no hydrogen 2.994 N/A GLU 281.A N SER 279.A OG no hydrogen 3.076 N/A GLN 283.A NE2 SER 279.A O no hydrogen 3.379 N/A GLN 283.A NE2 LYS 280.A O no hydrogen 3.192 N/A LEU 284.A N PHE 274.A O no hydrogen 2.933 N/A HIS 289.A N SER 287.A OG no hydrogen 3.169 N/A ASP 292.A N ASP 297.A OD1 no hydrogen 3.135 N/A LEU 294.A N GLU 15.A OE2 no hydrogen 2.892 N/A PHE 295.A N LEU 293.A O no hydrogen 2.752 N/A LYS 296.A N GLU 83.A OE1 no hydrogen 3.297 N/A LYS 296.A N GLU 83.A OE2 no hydrogen 3.368 N/A LYS 296.A NZ ASP 63.A OD1 no hydrogen 3.329 N/A ASP 297.A N ASP 292.A OD1 no hydrogen 2.994 N/A ALA 299.A N LYS 296.A O no hydrogen 3.244 N/A HIS 300.A N PHE 84.A O no hydrogen 2.803 N/A LEU 303.A N ALA 82.A O no hydrogen 2.843 N/A LYS 304.A NZ ASP 261.A OD1 no hydrogen 3.382 N/A VAL 305.A N VAL 80.A O no hydrogen 2.989 N/A ARG 308.A NH1 ARG 308.A O no hydrogen 3.258 N/A ARG 308.A NH2 ASP 376.A OD1 no hydrogen 2.570 N/A MET 309.A N PRO 306.A O no hydrogen 2.930 N/A LYS 312.A NZ TYR 71.A OH no hydrogen 3.019 N/A MET 313.A N ASP 310.A OD2 no hydrogen 3.046 N/A TYR 314.A N ASP 310.A O no hydrogen 2.825 N/A LEU 315.A N ALA 311.A O no hydrogen 2.770 N/A GLY 316.A N LYS 312.A O no hydrogen 2.959 N/A VAL 320.A N GLY 316.A O no hydrogen 3.134 N/A THR 321.A N TYR 317.A O no hydrogen 3.205 N/A THR 321.A OG1 TYR 317.A O no hydrogen 2.875 N/A ALA 322.A N GLU 318.A O no hydrogen 3.409 N/A ILE 323.A N TYR 319.A O no hydrogen 3.102 N/A ARG 324.A N VAL 320.A O no hydrogen 2.992 N/A ASN 325.A N THR 321.A O no hydrogen 3.244 N/A ASN 325.A ND2 GLY 133.A O no hydrogen 3.204 N/A LEU 326.A N ALA 322.A O no hydrogen 3.226 N/A ARG 327.A N ILE 323.A O no hydrogen 2.749 N/A GLU 328.A N ARG 324.A O no hydrogen 3.008 N/A GLY 329.A N ASN 325.A O no hydrogen 3.097 N/A VAL 342.A N LYS 365.A O no hydrogen 3.175 N/A LYS 343.A N ASP 387.A OD2 no hydrogen 2.868 N/A TRP 344.A N GLU 367.A O no hydrogen 2.709 N/A CYS 345.A N ALA 388.A O no hydrogen 2.948 N/A ALA 346.A N VAL 369.A O no hydrogen 2.683 N/A LEU 347.A N GLU 351.A OE1 no hydrogen 2.935 N/A SER 348.A N ALA 371.A O no hydrogen 2.812 N/A SER 348.A OG GLU 372.A OE1 no hydrogen 3.104 N/A SER 348.A OG GLU 372.A OE2 no hydrogen 2.733 N/A ARG 352.A N SER 348.A O no hydrogen 2.935 N/A ARG 352.A NE ASP 356.A OD1 no hydrogen 3.047 N/A ARG 352.A NH2 SER 370.A OG no hydrogen 3.259 N/A LEU 353.A N HIS 349.A O no hydrogen 3.164 N/A LYS 354.A NZ LEU 621.A O no hydrogen 3.051 N/A LYS 354.A NZ ARG 623.A O no hydrogen 2.776 N/A LYS 354.A NZ LEU 629.A O no hydrogen 2.911 N/A CYS 355.A N GLU 351.A O no hydrogen 2.958 N/A ASP 356.A N ARG 352.A O no hydrogen 2.896 N/A GLU 357.A N LEU 353.A O no hydrogen 3.295 N/A TRP 358.A N LYS 354.A O no hydrogen 2.981 N/A TRP 358.A NE1 GLN 604.A OE1 no hydrogen 3.073 N/A SER 359.A N CYS 355.A O no hydrogen 2.879 N/A SER 359.A OG ILE 366.A O no hydrogen 2.695 N/A VAL 360.A N ASP 356.A O no hydrogen 3.266 N/A ASN 361.A N GLU 357.A O no hydrogen 3.159 N/A ASN 361.A ND2 GLU 357.A O no hydrogen 2.659 N/A SER 362.A N TRP 358.A O no hydrogen 2.803 N/A SER 362.A OG TRP 358.A O no hydrogen 3.493 N/A SER 362.A OG SER 359.A O no hydrogen 2.794 N/A LYS 365.A NZ GLN 603.A OE1 no hydrogen 3.114 N/A ILE 366.A N SER 362.A OG no hydrogen 3.025 N/A GLU 367.A N VAL 342.A O no hydrogen 2.878 N/A VAL 369.A N TRP 344.A O no hydrogen 2.899 N/A ALA 371.A N ALA 346.A O no hydrogen 3.144 N/A ASP 376.A N THR 373.A OG1 no hydrogen 2.981 N/A CYS 377.A N THR 373.A O no hydrogen 3.000 N/A CYS 377.A SG ALA 346.A O no hydrogen 3.752 N/A ILE 378.A N THR 374.A O no hydrogen 2.760 N/A ALA 379.A N GLU 375.A O no hydrogen 2.951 N/A LYS 380.A N ASP 376.A O no hydrogen 3.013 N/A LYS 380.A NZ SER 370.A O no hydrogen 2.603 N/A ILE 381.A N CYS 377.A O no hydrogen 3.078 N/A MET 382.A N ILE 378.A O no hydrogen 3.044 N/A ASN 383.A N ALA 379.A O no hydrogen 3.078 N/A GLY 384.A N LYS 380.A O no hydrogen 3.117 N/A GLU 385.A N ASN 383.A OD1 no hydrogen 3.077 N/A ALA 386.A N LYS 380.A O no hydrogen 2.928 N/A ASP 387.A N LYS 343.A O no hydrogen 2.815 N/A ALA 388.A N LYS 343.A O no hydrogen 3.291 N/A SER 390.A OG GLU 410.A OE2 no hydrogen 2.624 N/A LEU 391.A N ALA 586.A O no hydrogen 2.699 N/A GLY 394.A N ASP 392.A OD2 no hydrogen 2.824 N/A PHE 395.A N ASP 392.A O no hydrogen 2.921 N/A VAL 396.A N ASP 392.A O no hydrogen 2.913 N/A TYR 397.A N GLY 393.A O no hydrogen 2.989 N/A ILE 398.A N GLY 394.A O no hydrogen 3.414 N/A ALA 399.A N PHE 395.A O no hydrogen 2.910 N/A GLY 400.A N VAL 396.A O no hydrogen 2.877 N/A LYS 401.A N TYR 397.A O no hydrogen 2.998 N/A LYS 401.A NZ TYR 647.A OH no hydrogen 3.391 N/A CYS 402.A N ILE 398.A O no hydrogen 2.998 N/A CYS 402.A SG ILE 398.A O no hydrogen 3.270 N/A GLY 403.A N GLY 400.A O no hydrogen 2.856 N/A LEU 404.A N ALA 399.A O no hydrogen 2.867 N/A VAL 405.A N THR 589.A O no hydrogen 2.961 N/A VAL 407.A N VAL 587.A O no hydrogen 2.889 N/A ALA 409.A N ALA 639.A O no hydrogen 3.032 N/A GLU 410.A N HIS 585.A O no hydrogen 2.814 N/A ASN 411.A N CYS 637.A O no hydrogen 2.804 N/A ASN 411.A ND2 CYS 418.A O no hydrogen 3.121 N/A ASN 411.A ND2 THR 421.A O no hydrogen 2.860 N/A TYR 412.A N GLU 423.A OE1 no hydrogen 2.968 N/A TYR 412.A N GLU 423.A OE2 no hydrogen 2.868 N/A TYR 412.A OH GLU 410.A OE1 no hydrogen 2.732 N/A ASN 413.A N GLU 423.A OE1 no hydrogen 2.883 N/A ASN 413.A N GLU 423.A OE2 no hydrogen 3.485 N/A THR 421.A N CYS 418.A O no hydrogen 3.465 N/A THR 421.A OG1 ASN 417.A O no hydrogen 2.812 N/A TYR 426.A N ALA 582.A O no hydrogen 2.924 N/A TYR 426.A OH TYR 517.A OH no hydrogen 2.985 N/A PHE 427.A N HIS 535.A ND1 no hydrogen 3.023 N/A ALA 428.A N ALA 580.A O no hydrogen 2.888 N/A ILE 429.A N VAL 533.A O no hydrogen 2.891 N/A VAL 431.A N ALA 531.A O no hydrogen 2.775 N/A VAL 432.A N GLU 560.A O no hydrogen 2.962 N/A LYS 433.A NZ ASP 529.A O no hydrogen 2.870 N/A LYS 434.A N ASP 558.A O no hydrogen 2.868 N/A ALA 436.A N LYS 433.A O no hydrogen 3.047 N/A ASN 443.A N THR 440.A O no hydrogen 3.245 N/A GLY 446.A N PHE 479.A O no hydrogen 2.968 N/A LYS 447.A N LEU 444.A O no hydrogen 3.256 N/A LYS 448.A N ASP 529.A OD2 no hydrogen 2.737 N/A LYS 448.A NZ GLU 482.A OE1 no hydrogen 3.178 N/A SER 449.A N GLU 482.A O no hydrogen 3.216 N/A SER 449.A OG HIS 451.A NE2 no hydrogen 2.797 N/A CYS 450.A N VAL 530.A O no hydrogen 2.728 N/A HIS 451.A N CYS 484.A O no hydrogen 2.897 N/A HIS 451.A ND1 GLY 459.A O no hydrogen 2.776 N/A HIS 451.A NE2 SER 449.A OG no hydrogen 2.797 N/A VAL 454.A N PRO 486.A O no hydrogen 2.981 N/A ARG 456.A N ALA 453.A O no hydrogen 3.350 N/A THR 457.A N ASP 392.A OD1 no hydrogen 3.383 N/A THR 457.A N ASP 392.A OD2 no hydrogen 2.651 N/A THR 457.A OG1 ASP 392.A OD1 no hydrogen 3.240 N/A THR 457.A OG1 ASP 392.A OD2 no hydrogen 2.887 N/A THR 457.A OG1 TYR 655.A OH no hydrogen 2.763 N/A ASN 461.A N ARG 456.A O no hydrogen 2.789 N/A ASN 461.A ND2 TYR 655.A OH no hydrogen 3.036 N/A ILE 462.A N THR 457.A O no hydrogen 3.064 N/A MET 464.A N TRP 460.A O no hydrogen 2.777 N/A GLY 465.A N ASN 461.A O no hydrogen 2.908 N/A LEU 466.A N ILE 462.A O no hydrogen 2.973 N/A LEU 467.A N PRO 463.A O no hydrogen 2.860 N/A TYR 468.A N MET 464.A O no hydrogen 2.757 N/A ASN 469.A N GLY 465.A O no hydrogen 3.180 N/A LYS 470.A N LEU 467.A O no hydrogen 2.962 N/A LYS 470.A NZ TRP 441.A O no hydrogen 3.432 N/A ILE 471.A N LEU 467.A O no hydrogen 3.023 N/A ASN 472.A N TYR 468.A O no hydrogen 2.844 N/A ARG 475.A N HIS 473.A ND1 no hydrogen 3.114 N/A ARG 475.A NH1 GLU 478.A OE1 no hydrogen 2.996 N/A PHE 476.A N CYS 474.A O no hydrogen 2.714 N/A GLU 478.A N ARG 475.A O no hydrogen 2.928 N/A PHE 479.A N ARG 475.A O no hydrogen 3.282 N/A PHE 480.A N PHE 476.A O no hydrogen 3.196 N/A SER 481.A N LYS 447.A O no hydrogen 3.115 N/A SER 481.A OG GLY 446.A O no hydrogen 3.333 N/A SER 481.A OG LYS 447.A O no hydrogen 3.280 N/A GLY 483.A N SER 493.A O no hydrogen 3.018 N/A CYS 484.A N SER 449.A O no hydrogen 3.000 N/A ALA 485.A N LEU 494.A O no hydrogen 2.693 N/A GLY 487.A N CYS 506.A O no hydrogen 2.872 N/A SER 488.A N ALA 485.A O no hydrogen 3.072 N/A SER 488.A OG ALA 485.A O no hydrogen 2.720 N/A LYS 490.A NZ LEU 505.A O no hydrogen 3.273 N/A LYS 490.A NZ GLU 507.A OE1 no hydrogen 2.875 N/A SER 492.A N LYS 489.A O no hydrogen 3.004 N/A SER 493.A OG ASP 477.A O no hydrogen 2.822 N/A SER 493.A OG SER 481.A O no hydrogen 3.543 N/A LEU 494.A N SER 492.A OG no hydrogen 3.019 N/A CYS 495.A N SER 492.A O no hydrogen 3.011 N/A CYS 495.A SG SER 488.A O no hydrogen 3.660 N/A CYS 495.A SG LYS 489.A O no hydrogen 3.488 N/A LYS 496.A N SER 493.A O no hydrogen 3.369 N/A LYS 496.A NZ GLU 482.A OE2 no hydrogen 2.677 N/A LEU 497.A N GLY 483.A O no hydrogen 2.853 N/A CYS 498.A N CYS 495.A O no hydrogen 3.241 N/A CYS 498.A SG CYS 495.A O no hydrogen 3.620 N/A MET 499.A N GLU 512.A OE2 no hydrogen 2.958 N/A GLY 500.A N GLU 512.A OE1 no hydrogen 2.775 N/A ASN 504.A N SER 501.A O no hydrogen 2.784 N/A CYS 506.A N GLU 512.A OE1 no hydrogen 2.999 N/A CYS 506.A SG ALA 485.A O no hydrogen 3.920 N/A GLU 507.A N ASN 504.A O no hydrogen 3.052 N/A ASN 509.A ND2 GLU 372.A O no hydrogen 2.916 N/A LYS 511.A N ASN 509.A OD1 no hydrogen 2.911 N/A LYS 511.A NZ GLU 372.A OE2 no hydrogen 2.901 N/A GLU 512.A N ASN 509.A O no hydrogen 2.879 N/A TYR 514.A N GLU 512.A OE2 no hydrogen 2.917 N/A TYR 514.A OH GLU 526.A OE1 no hydrogen 2.487 N/A TYR 515.A N GLU 512.A O no hydrogen 2.931 N/A GLY 516.A N THR 452.A O no hydrogen 2.910 N/A TYR 517.A OH TYR 426.A OH no hydrogen 2.985 N/A TYR 517.A OH HIS 585.A NE2 no hydrogen 2.779 N/A THR 518.A OG1 THR 626.A O no hydrogen 2.984 N/A ALA 520.A N GLY 516.A O no hydrogen 2.849 N/A PHE 521.A N TYR 517.A O no hydrogen 3.013 N/A ARG 522.A N THR 518.A O no hydrogen 2.829 N/A ARG 522.A NE GLU 526.A OE1 no hydrogen 3.034 N/A ARG 522.A NE GLU 526.A OE2 no hydrogen 3.176 N/A ARG 522.A NH2 GLU 526.A OE2 no hydrogen 3.104 N/A CYS 523.A N GLY 519.A O no hydrogen 2.798 N/A LEU 524.A N ALA 520.A O no hydrogen 3.096 N/A VAL 525.A N PHE 521.A O no hydrogen 3.013 N/A GLU 526.A N ARG 522.A O no hydrogen 2.918 N/A LYS 527.A N CYS 523.A O no hydrogen 2.763 N/A LYS 527.A NZ LEU 497.A O no hydrogen 3.015 N/A LYS 527.A NZ CYS 498.A O no hydrogen 3.395 N/A GLY 528.A N CYS 523.A O no hydrogen 2.807 N/A ASP 529.A N LYS 448.A O no hydrogen 2.671 N/A VAL 530.A N LYS 448.A O no hydrogen 3.103 N/A ALA 531.A N VAL 431.A O no hydrogen 2.859 N/A PHE 532.A N CYS 450.A O no hydrogen 2.903 N/A VAL 533.A N ILE 429.A O no hydrogen 3.235 N/A LYS 534.A NZ ASP 634.A OD1 no hydrogen 3.550 N/A LYS 534.A NZ ASP 634.A OD2 no hydrogen 2.769 N/A HIS 535.A N PHE 427.A O no hydrogen 2.945 N/A THR 537.A N LYS 534.A O no hydrogen 3.274 N/A THR 537.A OG1 LYS 534.A O no hydrogen 3.566 N/A GLN 540.A N GLN 536.A O no hydrogen 3.165 N/A ASN 541.A N VAL 538.A O no hydrogen 2.962 N/A ASN 541.A ND2 THR 537.A O no hydrogen 2.717 N/A THR 542.A N PRO 539.A O no hydrogen 3.401 N/A THR 542.A OG1 VAL 538.A O no hydrogen 2.889 N/A GLY 543.A N LEU 554.A O no hydrogen 3.076 N/A LYS 545.A N THR 542.A O no hydrogen 3.423 N/A LYS 545.A NZ PRO 539.A O no hydrogen 2.613 N/A ASN 546.A ND2 ASN 541.A OD1 no hydrogen 2.852 N/A ASP 548.A N ASN 546.A OD1 no hydrogen 3.093 N/A ALA 551.A N ASP 548.A O no hydrogen 2.971 N/A LYS 552.A N ASP 548.A O no hydrogen 2.996 N/A LEU 554.A N ALA 551.A O no hydrogen 3.190 N/A ASN 555.A ND2 ASP 558.A OD2 no hydrogen 3.297 N/A ASP 558.A N ASN 555.A O no hydrogen 3.086 N/A TYR 559.A N GLU 556.A O no hydrogen 3.382 N/A GLU 560.A N VAL 432.A O no hydrogen 2.875 N/A LEU 561.A N LYS 569.A O no hydrogen 2.644 N/A LEU 562.A N ALA 430.A O no hydrogen 2.821 N/A CYS 563.A N THR 567.A O no hydrogen 2.871 N/A CYS 563.A SG THR 567.A O no hydrogen 3.424 N/A GLY 566.A N CYS 563.A O no hydrogen 3.332 N/A THR 567.A N ASP 565.A OD1 no hydrogen 3.039 N/A ARG 568.A NE LEU 439.A O no hydrogen 2.830 N/A ARG 568.A NH1 ALA 436.A O no hydrogen 2.424 N/A ARG 568.A NH1 LEU 439.A O no hydrogen 3.076 N/A ARG 568.A NH2 GLU 560.A OE1 no hydrogen 2.651 N/A LYS 569.A N LEU 561.A O no hydrogen 3.004 N/A GLU 573.A N PRO 570.A O no hydrogen 3.034 N/A ASN 576.A N GLU 573.A O no hydrogen 3.180 N/A CYS 577.A N TYR 574.A O no hydrogen 3.227 N/A CYS 577.A SG LEU 561.A O no hydrogen 3.464 N/A HIS 578.A ND1 TYR 574.A O no hydrogen 2.844 N/A LEU 579.A N ALA 428.A O no hydrogen 2.784 N/A ARG 581.A NH1 GLY 425.A O no hydrogen 3.288 N/A ALA 582.A N TYR 426.A O no hydrogen 2.775 N/A ASN 584.A ND2 GLU 410.A O no hydrogen 2.805 N/A ASN 584.A ND2 ASN 411.A OD1 no hydrogen 3.121 N/A ASN 584.A ND2 GLU 423.A OE2 no hydrogen 3.020 N/A HIS 585.A N TYR 412.A OH no hydrogen 3.195 N/A ALA 586.A N LEU 391.A O no hydrogen 2.935 N/A VAL 587.A N LEU 408.A O no hydrogen 2.864 N/A VAL 588.A N MET 389.A O no hydrogen 3.036 N/A THR 589.A N VAL 405.A O no hydrogen 2.953 N/A THR 589.A OG1 ASP 387.A O no hydrogen 2.648 N/A ARG 590.A NE ILE 381.A O no hydrogen 2.736 N/A ARG 590.A NH1 ASP 592.A OD1 no hydrogen 3.323 N/A ARG 590.A NH2 ALA 386.A O no hydrogen 2.605 N/A ARG 590.A NH2 ASP 387.A OD1 no hydrogen 2.585 N/A LYS 591.A NZ GLU 594.A OE1 no hydrogen 3.148 N/A LYS 593.A N ARG 590.A O no hydrogen 2.841 N/A VAL 597.A N LYS 593.A O no hydrogen 3.061 N/A HIS 598.A N GLU 594.A O no hydrogen 3.057 N/A LYS 599.A N ALA 595.A O no hydrogen 3.024 N/A ILE 600.A N CYS 596.A O no hydrogen 2.937 N/A LEU 601.A N VAL 597.A O no hydrogen 3.040 N/A ARG 602.A N HIS 598.A O no hydrogen 3.353 N/A ARG 602.A NE GLU 419.A OE2 no hydrogen 2.697 N/A GLN 603.A N LYS 599.A O no hydrogen 3.283 N/A GLN 604.A N ILE 600.A O no hydrogen 2.822 N/A GLN 605.A N LEU 601.A O no hydrogen 2.827 N/A GLN 605.A NE2 LEU 638.A O no hydrogen 2.805 N/A HIS 606.A N ARG 602.A O no hydrogen 3.262 N/A LEU 607.A N GLN 604.A O no hydrogen 3.227 N/A PHE 608.A N GLN 604.A O no hydrogen 2.995 N/A SER 610.A OG VAL 636.A O no hydrogen 2.824 N/A THR 613.A OG1 ASP 614.A OD1 no hydrogen 3.521 N/A LEU 621.A N PHE 608.A O no hydrogen 2.917 N/A SER 624.A OG ASP 633.A OD1 no hydrogen 2.608 N/A ASP 628.A N ASP 633.A OD2 no hydrogen 3.085 N/A LEU 629.A N SER 624.A OG no hydrogen 2.562 N/A LEU 630.A N GLU 351.A OE2 no hydrogen 2.838 N/A PHE 631.A N LEU 629.A O no hydrogen 2.682 N/A ARG 632.A N GLU 410.A OE2 no hydrogen 3.305 N/A ARG 632.A NE ASP 634.A OD1 no hydrogen 2.986 N/A ARG 632.A NH1 TYR 517.A OH no hydrogen 2.890 N/A ARG 632.A NH2 ASP 634.A OD1 no hydrogen 3.424 N/A ASP 633.A N ASP 628.A OD1 no hydrogen 2.797 N/A THR 635.A N ARG 632.A O no hydrogen 3.154 N/A THR 635.A OG1 ARG 632.A O no hydrogen 2.706 N/A VAL 636.A N ASN 411.A O no hydrogen 2.770 N/A LEU 638.A N GLN 605.A OE1 no hydrogen 3.220 N/A ALA 639.A N ALA 409.A O no hydrogen 2.634 N/A LYS 640.A N GLU 419.A O no hydrogen 2.914 N/A ARG 644.A N LEU 641.A O no hydrogen 2.985 N/A LYS 649.A N THR 646.A OG1 no hydrogen 3.199 N/A LYS 649.A NZ ASN 645.A OD1 no hydrogen 3.452 N/A TYR 650.A N THR 646.A O no hydrogen 2.829 N/A TYR 650.A OH ASN 584.A O no hydrogen 2.536 N/A LEU 651.A N TYR 647.A O no hydrogen 3.028 N/A GLY 652.A N GLU 648.A O no hydrogen 3.109 N/A VAL 656.A N GLY 652.A O no hydrogen 3.216 N/A LYS 657.A N GLU 653.A O no hydrogen 3.175 N/A ALA 658.A N GLU 654.A O no hydrogen 3.438 N/A VAL 659.A N TYR 655.A O no hydrogen 3.136 N/A GLY 660.A N VAL 656.A O no hydrogen 3.075 N/A ASN 661.A N LYS 657.A O no hydrogen 2.710 N/A LEU 662.A N VAL 659.A O no hydrogen 2.962 N/A ARG 663.A N GLY 660.A O no hydrogen 2.921 N/A SER 668.A OG GLU 375.A OE1 no hydrogen 2.612 N/A LEU 671.A N SER 668.A OG no hydrogen 3.003 N/A GLU 672.A N SER 668.A O no hydrogen 3.182 N/A ALA 673.A N SER 669.A O no hydrogen 3.143 N/A CYS 674.A N LEU 670.A O no hydrogen 2.931 N/A CYS 674.A SG LEU 670.A O no hydrogen 3.517 N/A THR 675.A N LEU 671.A O no hydrogen 2.899 N/A THR 675.A OG1 LEU 671.A O no hydrogen 3.064 N/A THR 675.A OG1 GLU 672.A O no hydrogen 3.439 N/A PHE 676.A N GLU 672.A O no hydrogen 3.075 N/A ARG 677.A N ALA 673.A O no hydrogen 3.251 N/A ARG 677.A NH1 TYR 314.A O no hydrogen 3.237 N/A ARG 678.A N CYS 674.A O no hydrogen 2.908 N/A ARG 678.A NH1 ASP 240.A OD1 no hydrogen 2.875 N/A ARG 678.A NH2 LYS 239.A O no hydrogen 3.120 N/A