Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pha_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N VAL 135.A O no hydrogen 2.916 N/A ARG 4.A NH2 GLU 137.A OE2 no hydrogen 2.927 N/A LYS 5.A NZ THR 23.A OG1 no hydrogen 3.354 N/A TYR 6.A N ILE 133.A O no hydrogen 2.772 N/A ARG 7.A NE ASP 132.A OD1 no hydrogen 2.976 N/A ARG 7.A NH1 ASP 132.A OD2 no hydrogen 3.105 N/A TYR 8.A N LEU 131.A O no hydrogen 2.840 N/A ALA 10.A N ASP 130.A OD1 no hydrogen 2.974 N/A THR 14.A OG1 ASP 105.A OD1 no hydrogen 2.482 N/A THR 14.A OG1 ASP 105.A OD2 no hydrogen 2.969 N/A GLU 15.A N ASP 13.A OD2 no hydrogen 3.006 N/A ALA 16.A N THR 14.A OG1 no hydrogen 3.219 N/A THR 18.A N VAL 151.A O no hydrogen 2.790 N/A GLU 19.A N VAL 151.A O no hydrogen 3.016 N/A ALA 24.A N LYS 5.A O no hydrogen 3.020 N/A GLU 26.A N GLU 26.A OE1 no hydrogen 3.210 N/A TYR 30.A OH GLU 137.A OE2 no hydrogen 2.991 N/A GLU 32.A N THR 42.A O no hydrogen 3.007 N/A SER 34.A N ALA 40.A O no hydrogen 2.812 N/A LYS 36.A N SER 34.A OG no hydrogen 3.353 N/A PHE 39.A N CYS 126.A O no hydrogen 2.924 N/A ALA 40.A N SER 34.A O no hydrogen 3.057 N/A PHE 41.A N VAL 124.A O no hydrogen 2.851 N/A THR 42.A N GLU 32.A O no hydrogen 2.899 N/A TYR 43.A N LEU 122.A O no hydrogen 2.736 N/A MET 45.A N ASP 120.A O no hydrogen 2.700 N/A ASP 46.A N ASP 49.A OD2 no hydrogen 2.640 N/A ASP 48.A N ASP 46.A OD2 no hydrogen 2.705 N/A ASP 49.A N ASP 46.A O no hydrogen 2.670 N/A ILE 50.A N SER 95.A O no hydrogen 2.906 N/A VAL 51.A N ASN 62.A OD1 no hydrogen 3.391 N/A TYR 52.A N ILE 93.A O no hydrogen 2.923 N/A LEU 54.A N PHE 91.A O no hydrogen 2.797 N/A GLU 56.A N HIS 89.A ND1 no hydrogen 3.175 N/A ASN 58.A ND2 THR 79.A O no hydrogen 2.924 N/A ASN 58.A ND2 LYS 82.A O no hydrogen 2.755 N/A ARG 59.A N ASN 58.A OD1 no hydrogen 2.822 N/A ARG 59.A NE GLU 80.A O no hydrogen 3.008 N/A ARG 59.A NH1 GLU 80.A O no hydrogen 3.105 N/A ILE 61.A N GLU 544.A OE1 no hydrogen 2.802 N/A ASN 62.A N GLU 544.A OE2 no hydrogen 3.161 N/A LYS 63.A N VAL 51.A O no hydrogen 2.800 N/A LYS 63.A NZ SER 57.A OG no hydrogen 2.831 N/A LYS 63.A NZ ASN 58.A O no hydrogen 2.826 N/A LYS 63.A NZ GLY 60.A O no hydrogen 2.994 N/A ARG 64.A N ASN 62.A OD1 no hydrogen 2.764 N/A ARG 64.A NH1 ASP 46.A O no hydrogen 2.951 N/A ARG 64.A NH1 ASP 49.A O no hydrogen 2.912 N/A ARG 64.A NH2 MET 119.A O no hydrogen 3.117 N/A GLY 65.A N ILE 114.A O no hydrogen 2.733 N/A TYR 66.A OH ASP 81.A O no hydrogen 2.639 N/A CYS 67.A SG PHE 112.A O no hydrogen 3.964 N/A TYR 68.A N PHE 112.A O no hydrogen 2.968 N/A TYR 68.A OH LYS 63.A O no hydrogen 2.565 N/A ILE 69.A N ARG 83.A O no hydrogen 2.772 N/A SER 70.A N LEU 110.A O no hydrogen 2.956 N/A CYS 72.A N ASN 377.A OD1 no hydrogen 2.975 N/A CYS 72.A SG TYR 86.A O no hydrogen 3.313 N/A CYS 72.A SG ASN 377.A OD1 no hydrogen 3.438 N/A CYS 72.A SG SER 407.A O no hydrogen 3.818 N/A THR 73.A N LEU 85.A O no hydrogen 3.055 N/A THR 73.A OG1 ASN 71.A O no hydrogen 2.592 N/A ILE 77.A N ASP 75.A OD1 no hydrogen 3.170 N/A HIS 78.A NE2 TYR 86.A OH no hydrogen 3.091 N/A THR 79.A N ILE 77.A O no hydrogen 3.009 N/A THR 79.A OG1 ASP 81.A OD1 no hydrogen 2.630 N/A LYS 82.A N THR 79.A O no hydrogen 3.257 N/A LYS 82.A NZ ASP 75.A OD2 no hydrogen 2.950 N/A SER 84.A OG ILE 69.A O no hydrogen 2.656 N/A TYR 86.A OH HIS 78.A NE2 no hydrogen 3.091 N/A ALA 88.A N SER 407.A O no hydrogen 2.973 N/A HIS 89.A NE2 SER 407.A OG no hydrogen 2.945 N/A PHE 91.A N HIS 89.A O no hydrogen 2.711 N/A ILE 92.A N LEU 102.A O no hydrogen 2.995 N/A ILE 93.A N TYR 52.A O no hydrogen 2.864 N/A VAL 94.A N PHE 100.A O no hydrogen 2.845 N/A SER 95.A N ILE 50.A O no hydrogen 2.724 N/A GLY 96.A N THR 99.A OG1 no hydrogen 3.142 N/A LYS 97.A NZ ASP 46.A OD1 no hydrogen 3.147 N/A THR 99.A OG1 GLY 96.A O no hydrogen 3.013 N/A PHE 100.A N VAL 94.A O no hydrogen 2.898 N/A GLY 101.A N ILE 136.A O no hydrogen 2.931 N/A LEU 102.A N ILE 92.A O no hydrogen 2.769 N/A PHE 103.A N TYR 134.A O no hydrogen 2.909 N/A PHE 104.A N ASN 90.A O no hydrogen 2.841 N/A ASP 105.A N ASP 132.A O no hydrogen 2.779 N/A SER 108.A OG ASP 373.A O no hydrogen 3.380 N/A LYS 109.A N SER 108.A OG no hydrogen 2.689 N/A LEU 110.A N SER 70.A O no hydrogen 3.293 N/A THR 111.A N SER 125.A O no hydrogen 2.860 N/A PHE 112.A N TYR 68.A O no hydrogen 2.763 N/A ASP 113.A N LYS 123.A O no hydrogen 2.770 N/A ILE 114.A N TYR 66.A O no hydrogen 3.118 N/A THR 117.A N ASP 113.A OD1 no hydrogen 3.099 N/A THR 117.A OG1 ASP 113.A OD2 no hydrogen 2.911 N/A THR 121.A N ARG 118.A O no hydrogen 3.011 N/A THR 121.A OG1 ASP 120.A OD1 no hydrogen 3.081 N/A LEU 122.A N TYR 43.A O no hydrogen 2.815 N/A LYS 123.A N ASP 113.A O no hydrogen 2.839 N/A VAL 124.A N PHE 41.A O no hydrogen 2.912 N/A SER 125.A N THR 111.A O no hydrogen 2.796 N/A CYS 126.A N PHE 39.A O no hydrogen 2.963 N/A CYS 126.A SG ASN 128.A O no hydrogen 3.294 N/A ASN 128.A ND2 GLU 127.A O no hydrogen 3.017 N/A LEU 131.A N TYR 8.A O no hydrogen 2.941 N/A ASP 132.A N ASP 105.A O no hydrogen 3.314 N/A ILE 133.A N TYR 6.A O no hydrogen 2.792 N/A TYR 134.A N PHE 103.A O no hydrogen 2.837 N/A VAL 135.A N ARG 4.A O no hydrogen 2.875 N/A ILE 136.A N GLY 101.A O no hydrogen 3.017 N/A GLU 137.A N MET 2.A O no hydrogen 2.796 N/A TYR 142.A OH ASP 524.A OD1 no hydrogen 2.834 N/A ASP 143.A N ASN 140.A OD1 no hydrogen 3.127 N/A ILE 144.A N ASN 140.A O no hydrogen 3.153 N/A VAL 145.A N ALA 141.A O no hydrogen 2.996 N/A LYS 146.A N TYR 142.A O no hydrogen 3.001 N/A GLN 147.A N ASP 143.A O no hydrogen 3.262 N/A GLN 147.A NE2 GLU 137.A O no hydrogen 2.539 N/A GLN 147.A NE2 ASP 143.A O no hydrogen 3.547 N/A PHE 148.A N ILE 144.A O no hydrogen 3.154 N/A ARG 149.A N VAL 145.A O no hydrogen 2.757 N/A ARG 149.A NH1 ASN 440.A O no hydrogen 2.871 N/A ARG 150.A N LYS 146.A O no hydrogen 3.153 N/A ARG 150.A NE GLU 19.A OE1 no hydrogen 3.339 N/A ARG 150.A NH2 GLU 19.A OE2 no hydrogen 2.979 N/A VAL 151.A N GLN 147.A O no hydrogen 3.200 N/A ILE 152.A N PHE 148.A O no hydrogen 3.182 N/A GLY 153.A N ARG 150.A O no hydrogen 3.074 N/A SER 155.A OG GLY 443.A O no hydrogen 2.715 N/A TYR 156.A N HIS 412.A O no hydrogen 2.817 N/A TYR 156.A OH PHE 400.A O no hydrogen 2.673 N/A LYS 160.A N GLY 648.A O no hydrogen 2.915 N/A ALA 162.A N PRO 159.A O no hydrogen 3.099 N/A PHE 163.A N LYS 160.A O no hydrogen 2.867 N/A GLY 164.A N PHE 161.A O no hydrogen 2.813 N/A PHE 165.A N TYR 506.A OH no hydrogen 2.871 N/A GLY 166.A N MET 476.A O no hydrogen 2.954 N/A GLN 167.A N MET 194.A O no hydrogen 2.918 N/A SER 168.A N ASP 478.A O no hydrogen 2.886 N/A SER 168.A OG HIS 479.A ND1 no hydrogen 2.778 N/A ARG 169.A NH1 THR 484.A OG1 no hydrogen 3.410 N/A ARG 169.A NH2 THR 484.A O no hydrogen 2.917 N/A TYR 170.A N ALA 480.A O no hydrogen 3.029 N/A TYR 172.A N ARG 169.A O no hydrogen 3.322 N/A TYR 172.A OH GLN 167.A OE1 no hydrogen 3.294 N/A TYR 172.A OH GLU 488.A OE1 no hydrogen 2.888 N/A THR 173.A N ASP 177.A OD2 no hydrogen 2.732 N/A THR 173.A OG1 GLY 171.A O no hydrogen 2.713 N/A THR 174.A N ASP 177.A OD2 no hydrogen 3.135 N/A ASP 177.A N THR 174.A OG1 no hydrogen 3.235 N/A PHE 178.A N THR 174.A O no hydrogen 3.103 N/A ARG 179.A N LYS 175.A O no hydrogen 2.908 N/A ARG 179.A NE GLU 224.A OE2 no hydrogen 2.865 N/A ARG 179.A NH1 GLU 224.A OE1 no hydrogen 2.837 N/A ALA 180.A N GLU 176.A O no hydrogen 2.907 N/A VAL 181.A N PHE 178.A O no hydrogen 3.144 N/A ALA 182.A N PHE 178.A O no hydrogen 3.021 N/A LYS 183.A N ARG 179.A O no hydrogen 2.496 N/A GLY 184.A N ALA 180.A O no hydrogen 2.944 N/A TYR 185.A N VAL 181.A O no hydrogen 3.203 N/A ARG 186.A N ALA 182.A O no hydrogen 2.974 N/A ARG 186.A NH1 ILE 192.A O no hydrogen 2.891 N/A ARG 186.A NH2 ILE 192.A O no hydrogen 3.554 N/A GLU 187.A N LYS 183.A O no hydrogen 2.988 N/A ASN 188.A ND2 GLY 184.A O no hydrogen 2.923 N/A HIS 189.A N ARG 186.A O no hydrogen 3.298 N/A HIS 189.A ND1 GLU 621.A OE2 no hydrogen 2.852 N/A ILE 190.A N TYR 185.A O no hydrogen 2.917 N/A ILE 192.A N GLU 621.A O no hydrogen 3.140 N/A ASP 193.A N PHE 165.A O no hydrogen 2.976 N/A MET 194.A N PHE 165.A O no hydrogen 3.271 N/A ILE 195.A N ARG 231.A O no hydrogen 3.306 N/A TYR 196.A N GLN 167.A O no hydrogen 2.916 N/A MET 197.A N ILE 233.A O no hydrogen 2.910 N/A ILE 199.A N ASP 198.A OD2 no hydrogen 2.689 N/A TYR 201.A N ASP 198.A O no hydrogen 3.176 N/A TYR 201.A OH ILE 235.A O no hydrogen 2.664 N/A MET 202.A N ILE 199.A O no hydrogen 3.219 N/A GLN 203.A N THR 209.A OG1 no hydrogen 2.865 N/A GLN 203.A NE2 ASP 204.A OD2 no hydrogen 3.480 N/A LYS 206.A N GLN 203.A O no hydrogen 2.834 N/A LYS 206.A NZ GLU 243.A OE1 no hydrogen 3.298 N/A THR 209.A N LYS 206.A O no hydrogen 3.211 N/A THR 209.A OG1 LYS 206.A O no hydrogen 3.013 N/A ASN 211.A N TYR 201.A O no hydrogen 2.877 N/A GLU 212.A N GLN 203.A OE1 no hydrogen 3.220 N/A ASN 214.A N ASN 211.A O no hydrogen 3.061 N/A ASN 214.A N ASN 211.A OD1 no hydrogen 3.047 N/A ASN 214.A ND2 THR 173.A O no hydrogen 3.309 N/A PHE 215.A N ASN 211.A O no hydrogen 2.858 N/A GLU 220.A N ASP 217.A O no hydrogen 3.015 N/A GLU 220.A N ASP 217.A OD1 no hydrogen 2.591 N/A PHE 221.A N ASP 217.A O no hydrogen 3.435 N/A VAL 222.A N PHE 218.A O no hydrogen 2.898 N/A LYS 223.A N PRO 219.A O no hydrogen 3.065 N/A LYS 223.A NZ ASP 227.A OD2 no hydrogen 3.367 N/A GLU 224.A N GLU 220.A O no hydrogen 2.792 N/A MET 225.A N PHE 221.A O no hydrogen 2.792 N/A LYS 226.A N VAL 222.A O no hydrogen 2.793 N/A LYS 226.A NZ GLY 301.A O no hydrogen 2.969 N/A LYS 226.A NZ GLU 303.A OE2 no hydrogen 2.818 N/A ASP 227.A N LYS 223.A O no hydrogen 2.996 N/A GLN 228.A N MET 225.A O no hydrogen 2.997 N/A GLN 228.A NE2 GLU 224.A O no hydrogen 3.693 N/A GLU 229.A N LYS 226.A O no hydrogen 2.885 N/A LEU 230.A N MET 225.A O no hydrogen 3.087 N/A ARG 231.A N ASP 193.A O no hydrogen 3.010 N/A ARG 231.A NE GLU 303.A OE1 no hydrogen 3.473 N/A ARG 231.A NE GLU 303.A OE2 no hydrogen 3.352 N/A ARG 231.A NH1 GLU 229.A OE2 no hydrogen 2.764 N/A ARG 231.A NH2 GLU 303.A OE2 no hydrogen 3.530 N/A ILE 233.A N ILE 195.A O no hydrogen 2.916 N/A ILE 236.A N TRP 306.A O no hydrogen 2.912 N/A ASP 237.A N ASP 207.A OD1 no hydrogen 3.188 N/A VAL 240.A N HIS 277.A O no hydrogen 2.940 N/A LYS 241.A NZ PRO 273.A O no hydrogen 3.052 N/A VAL 242.A N ASP 275.A O no hydrogen 2.988 N/A GLY 245.A N GLU 250.A OE2 no hydrogen 3.200 N/A TYR 246.A N GLU 243.A O no hydrogen 2.999 N/A TYR 246.A OH ASP 207.A O no hydrogen 2.415 N/A GLU 250.A N TYR 246.A O no hydrogen 2.889 N/A GLU 251.A N GLU 247.A O no hydrogen 2.979 N/A GLY 252.A N VAL 248.A O no hydrogen 3.219 N/A VAL 253.A N TYR 249.A O no hydrogen 3.025 N/A LYS 254.A N GLU 250.A O no hydrogen 2.895 N/A ASN 255.A N GLU 251.A O no hydrogen 2.994 N/A ASN 255.A ND2 GLU 251.A O no hydrogen 3.069 N/A ASN 256.A N VAL 253.A O no hydrogen 3.260 N/A TYR 257.A N GLY 252.A O no hydrogen 2.887 N/A CYS 259.A N PHE 278.A O no hydrogen 3.044 N/A CYS 259.A SG PHE 278.A O no hydrogen 3.470 N/A CYS 259.A SG PRO 279.A O no hydrogen 3.749 N/A LYS 260.A NZ ASN 256.A OD1 no hydrogen 2.699 N/A LYS 260.A NZ ASP 266.A OD1 no hydrogen 2.818 N/A ARG 261.A N SER 265.A O no hydrogen 2.736 N/A ARG 261.A NE GLU 319.A OE2 no hydrogen 2.814 N/A ARG 261.A NH1 SER 265.A OG no hydrogen 2.694 N/A GLY 264.A N ARG 261.A O no hydrogen 3.008 N/A SER 265.A N ASP 263.A OD1 no hydrogen 2.785 N/A SER 265.A OG ASP 263.A OD1 no hydrogen 2.774 N/A SER 265.A OG ASP 263.A OD2 no hydrogen 3.515 N/A PHE 267.A N CYS 259.A O no hydrogen 3.187 N/A ALA 269.A N THR 276.A O no hydrogen 3.297 N/A ALA 270.A N TYR 316.A O no hydrogen 2.823 N/A VAL 271.A N GLY 274.A O no hydrogen 2.814 N/A GLY 274.A N VAL 271.A O no hydrogen 2.800 N/A THR 276.A N ALA 269.A O no hydrogen 2.854 N/A THR 276.A OG1 ALA 269.A O no hydrogen 2.756 N/A HIS 277.A N VAL 240.A O no hydrogen 2.872 N/A HIS 277.A ND1 PHE 267.A O no hydrogen 2.939 N/A ASP 280.A N TYR 257.A O no hydrogen 2.863 N/A MET 281.A N PRO 279.A O no hydrogen 2.879 N/A LEU 282.A N ASP 280.A OD1 no hydrogen 3.368 N/A ASN 283.A N ASP 280.A O no hydrogen 2.912 N/A ASN 283.A ND2 ASN 364.A O no hydrogen 2.895 N/A ALA 286.A N ASN 283.A OD1 no hydrogen 3.166 N/A ARG 287.A N ASN 283.A O no hydrogen 3.039 N/A ARG 287.A NE MET 281.A O no hydrogen 3.066 N/A ARG 287.A NH1 MET 281.A O no hydrogen 3.482 N/A LYS 288.A N PRO 284.A O no hydrogen 3.241 N/A LYS 288.A NZ ASP 292.A OD2 no hydrogen 3.476 N/A TRP 289.A N GLU 285.A O no hydrogen 3.030 N/A TRP 289.A NE1 GLU 251.A OE2 no hydrogen 2.620 N/A PHE 290.A N ALA 286.A O no hydrogen 2.846 N/A GLY 291.A N ARG 287.A O no hydrogen 2.956 N/A ASP 292.A N LYS 288.A O no hydrogen 3.018 N/A LYS 293.A N PHE 290.A O no hydrogen 3.078 N/A LYS 293.A NZ GLU 251.A OE1 no hydrogen 3.181 N/A LYS 293.A NZ GLU 251.A OE2 no hydrogen 2.792 N/A TYR 294.A N GLY 291.A O no hydrogen 2.967 N/A ARG 295.A N ASP 292.A O no hydrogen 2.983 N/A PHE 296.A N LYS 293.A O no hydrogen 3.206 N/A LEU 297.A N TYR 294.A O no hydrogen 3.047 N/A ILE 298.A N TYR 294.A O no hydrogen 3.055 N/A ASP 299.A N ARG 295.A O no hydrogen 2.705 N/A GLN 300.A N LEU 297.A O no hydrogen 2.949 N/A GLN 300.A NE2 PHE 296.A O no hydrogen 2.839 N/A GLY 301.A N ILE 298.A O no hydrogen 2.873 N/A ILE 302.A N LEU 297.A O no hydrogen 3.297 N/A PHE 305.A N LEU 401.A O no hydrogen 2.701 N/A TRP 306.A N PRO 234.A O no hydrogen 3.208 N/A ASN 307.A N PHE 403.A O no hydrogen 2.807 N/A ASN 307.A ND2 TYR 294.A OH no hydrogen 2.944 N/A ASP 308.A N ILE 236.A O no hydrogen 3.017 N/A ASN 310.A ND2 SER 404.A OG no hydrogen 2.722 N/A ALA 313.A N MET 309.A O no hydrogen 3.068 N/A ILE 314.A N ASN 353.A OD1 no hydrogen 3.226 N/A PHE 315.A N ALA 270.A O no hydrogen 2.996 N/A SER 317.A OG GLU 319.A OE1 no hydrogen 3.250 N/A SER 317.A OG ASP 357.A OD1 no hydrogen 2.569 N/A SER 317.A OG ASP 357.A OD2 no hydrogen 3.149 N/A GLU 319.A N GLU 319.A OE1 no hydrogen 2.750 N/A GLY 320.A N SER 317.A OG no hydrogen 2.992 N/A LEU 321.A N SER 317.A O no hydrogen 2.884 N/A ALA 322.A N SER 318.A O no hydrogen 3.361 N/A GLU 323.A N GLU 319.A O no hydrogen 3.175 N/A ALA 324.A N GLY 320.A O no hydrogen 2.983 N/A LYS 325.A N LEU 321.A O no hydrogen 2.943 N/A GLU 326.A N ALA 322.A O no hydrogen 2.984 N/A PHE 327.A N GLU 323.A O no hydrogen 2.910 N/A ALA 328.A N ALA 324.A O no hydrogen 2.869 N/A GLY 329.A N GLU 326.A O no hydrogen 2.825 N/A GLU 330.A N GLU 326.A O no hydrogen 3.400 N/A PHE 331.A N PHE 327.A O no hydrogen 2.954 N/A ALA 332.A N ALA 328.A O no hydrogen 2.965 N/A LYS 333.A N GLU 330.A O no hydrogen 3.266 N/A ASP 334.A N PHE 331.A O no hydrogen 3.052 N/A LYS 338.A N ASP 334.A OD2 no hydrogen 3.135 N/A ILE 339.A N ASP 334.A OD1 no hydrogen 2.909 N/A TRP 342.A N HIS 340.A ND1 no hydrogen 3.175 N/A ALA 343.A N HIS 340.A O no hydrogen 3.068 N/A MET 344.A N HIS 340.A O no hydrogen 3.435 N/A GLN 345.A N PRO 341.A O no hydrogen 2.947 N/A ALA 346.A N TRP 342.A O no hydrogen 2.831 N/A LYS 347.A N ALA 343.A O no hydrogen 2.948 N/A LYS 347.A NZ GLU 323.A OE1 no hydrogen 2.996 N/A MET 348.A N MET 344.A O no hydrogen 3.274 N/A LYS 349.A N GLN 345.A O no hydrogen 3.306 N/A ASP 350.A N ALA 346.A O no hydrogen 2.902 N/A ILE 351.A N LYS 347.A O no hydrogen 3.199 N/A VAL 352.A N LYS 349.A O no hydrogen 3.431 N/A ASN 353.A N ILE 314.A O no hydrogen 2.843 N/A GLU 356.A N SER 354.A OG no hydrogen 3.060 N/A ASP 357.A N SER 354.A O no hydrogen 3.099 N/A TYR 358.A N SER 354.A O no hydrogen 3.298 N/A TYR 358.A OH PRO 312.A O no hydrogen 2.602 N/A LYS 359.A N GLU 356.A O no hydrogen 3.432 N/A ARG 360.A N ASP 357.A O no hydrogen 2.793 N/A ARG 360.A NH1 ASP 357.A OD1 no hydrogen 2.707 N/A ARG 360.A NH2 GLU 323.A OE2 no hydrogen 3.330 N/A TYR 362.A N LYS 260.A O no hydrogen 2.873 N/A HIS 363.A N ILE 370.A O no hydrogen 2.684 N/A HIS 363.A ND1 ASP 280.A OD1 no hydrogen 2.902 N/A ASN 364.A N ASP 280.A OD2 no hydrogen 2.785 N/A VAL 365.A N LYS 368.A O no hydrogen 2.844 N/A GLY 367.A N ASN 364.A OD1 no hydrogen 3.079 N/A LYS 368.A N VAL 365.A O no hydrogen 2.885 N/A ILE 370.A N HIS 363.A O no hydrogen 2.971 N/A ARG 371.A NE ASP 373.A OD1 no hydrogen 2.489 N/A ARG 371.A NH2 ASP 373.A OD2 no hydrogen 2.908 N/A HIS 372.A N PHE 361.A O no hydrogen 2.986 N/A LYS 374.A N ARG 371.A O no hydrogen 3.011 N/A VAL 375.A N HIS 372.A O no hydrogen 2.941 N/A HIS 376.A N ASP 373.A O no hydrogen 3.378 N/A HIS 376.A NE2 CYS 72.A O no hydrogen 2.754 N/A ASN 377.A N PRO 107.A O no hydrogen 3.198 N/A ASN 377.A ND2 SER 70.A O no hydrogen 3.163 N/A LEU 378.A N VAL 375.A O no hydrogen 2.942 N/A PHE 379.A N HIS 376.A O no hydrogen 3.423 N/A TYR 381.A OH THR 14.A O no hydrogen 2.998 N/A ASN 382.A N LEU 378.A O no hydrogen 2.992 N/A ASN 382.A ND2 LEU 378.A O no hydrogen 3.054 N/A MET 383.A N PHE 379.A O no hydrogen 3.046 N/A THR 384.A N GLY 380.A O no hydrogen 3.094 N/A THR 384.A N TYR 381.A O no hydrogen 3.126 N/A THR 384.A OG1 GLY 380.A O no hydrogen 3.204 N/A ARG 385.A N TYR 381.A O no hydrogen 3.022 N/A ARG 385.A NE GLU 389.A OE1 no hydrogen 3.226 N/A ARG 385.A NH1 GLU 15.A OE1 no hydrogen 2.787 N/A ARG 385.A NH1 ASN 382.A OD1 no hydrogen 3.118 N/A ARG 385.A NH2 GLU 15.A OE1 no hydrogen 3.299 N/A ARG 385.A NH2 GLU 15.A OE2 no hydrogen 3.039 N/A ALA 386.A N ASN 382.A O no hydrogen 2.911 N/A ALA 387.A N MET 383.A O no hydrogen 3.350 N/A GLY 388.A N THR 384.A O no hydrogen 3.036 N/A GLU 389.A N ARG 385.A O no hydrogen 2.809 N/A ALA 390.A N ALA 386.A O no hydrogen 3.024 N/A PHE 391.A N ALA 387.A O no hydrogen 2.763 N/A GLU 392.A N GLY 388.A O no hydrogen 3.064 N/A ARG 393.A N ALA 390.A O no hydrogen 3.082 N/A ARG 393.A NH2 ASP 292.A OD1 no hydrogen 2.755 N/A ILE 394.A N ALA 390.A O no hydrogen 3.169 N/A ASP 395.A N PHE 391.A O no hydrogen 3.057 N/A GLU 397.A N ASP 395.A OD1 no hydrogen 3.312 N/A LYS 398.A N ASP 395.A O no hydrogen 3.183 N/A LYS 398.A NZ GLU 303.A OE1 no hydrogen 3.035 N/A ARG 399.A N ILE 649.A O no hydrogen 2.940 N/A ARG 399.A NE HIS 650.A O no hydrogen 3.181 N/A ARG 399.A NH1 TYR 513.A OH no hydrogen 3.168 N/A ARG 399.A NH1 ASP 646.A OD1 no hydrogen 3.542 N/A ARG 399.A NH1 HIS 650.A O no hydrogen 3.156 N/A ARG 399.A NH2 PRO 158.A O no hydrogen 2.993 N/A ARG 399.A NH2 TYR 513.A OH no hydrogen 3.101 N/A LEU 401.A N GLU 303.A O no hydrogen 3.042 N/A PHE 403.A N PHE 305.A O no hydrogen 3.268 N/A SER 404.A N GLY 416.A O no hydrogen 2.889 N/A SER 404.A OG THR 384.A OG1 no hydrogen 3.274 N/A SER 404.A OG SER 406.A O no hydrogen 3.066 N/A ARG 405.A N ASN 307.A O no hydrogen 3.225 N/A ARG 405.A NE GLU 311.A OE2 no hydrogen 2.788 N/A ARG 405.A NH1 GLU 311.A OE1 no hydrogen 2.830 N/A ARG 405.A NH1 GLU 311.A OE2 no hydrogen 3.299 N/A SER 406.A N ASN 310.A OD1 no hydrogen 3.088 N/A SER 406.A OG ASN 310.A O no hydrogen 3.213 N/A SER 407.A OG HIS 89.A NE2 no hydrogen 2.945 N/A TYR 408.A OH ASP 105.A OD1 no hydrogen 2.897 N/A TYR 408.A OH TYR 106.A O no hydrogen 3.275 N/A MET 411.A N TYR 408.A O no hydrogen 3.081 N/A ARG 413.A N GLY 410.A O no hydrogen 3.353 N/A ARG 413.A NH1 ALA 16.A O no hydrogen 2.855 N/A ARG 413.A NH1 ILE 152.A O no hydrogen 2.671 N/A ARG 413.A NH2 GLU 15.A O no hydrogen 2.852 N/A TYR 414.A N MET 411.A O no hydrogen 3.008 N/A GLY 416.A N MET 402.A O no hydrogen 2.870 N/A ILE 417.A N TYR 446.A O no hydrogen 3.042 N/A TRP 418.A N SER 404.A O no hydrogen 3.337 N/A MET 419.A N GLY 448.A O no hydrogen 3.172 N/A ASP 421.A N TYR 86.A OH no hydrogen 2.718 N/A ASN 422.A N GLY 420.A O no hydrogen 3.119 N/A ASN 422.A ND2 ASP 450.A O no hydrogen 2.986 N/A LYS 423.A N HIS 428.A ND1 no hydrogen 2.963 N/A LYS 423.A NZ ASP 456.A OD2 no hydrogen 3.219 N/A SER 424.A N GLY 455.A O no hydrogen 2.832 N/A SER 424.A OG GLY 452.A O no hydrogen 2.748 N/A SER 424.A OG GLY 453.A O no hydrogen 3.108 N/A SER 424.A OG GLY 455.A O no hydrogen 3.002 N/A SER 424.A OG ASP 456.A O no hydrogen 3.283 N/A SER 424.A OG THR 458.A OG1 no hydrogen 2.943 N/A TRP 425.A N LYS 423.A O no hydrogen 2.766 N/A HIS 428.A N TRP 425.A O no hydrogen 3.167 N/A HIS 428.A NE2 HIS 78.A O no hydrogen 2.855 N/A ILE 429.A N TRP 426.A O no hydrogen 2.901 N/A LEU 431.A N SER 427.A O no hydrogen 3.101 N/A ASN 432.A N HIS 428.A O no hydrogen 3.011 N/A LEU 433.A N ILE 429.A O no hydrogen 3.128 N/A LYS 434.A N LEU 430.A O no hydrogen 2.834 N/A LYS 434.A NZ GLU 544.A OE1 no hydrogen 3.437 N/A MET 435.A N LEU 431.A O no hydrogen 3.278 N/A LEU 436.A N LEU 433.A O no hydrogen 3.162 N/A SER 438.A OG GLY 53.A O no hydrogen 3.337 N/A LEU 439.A N MET 435.A O no hydrogen 3.022 N/A ASN 440.A N LEU 436.A O no hydrogen 2.964 N/A ASN 440.A ND2 LEU 436.A O no hydrogen 3.080 N/A MET 441.A N PRO 437.A O no hydrogen 2.980 N/A CYS 442.A N LEU 439.A O no hydrogen 3.074 N/A CYS 442.A SG SER 438.A O no hydrogen 3.514 N/A GLY 443.A N ASN 440.A O no hydrogen 3.200 N/A PHE 444.A N LEU 439.A O no hydrogen 2.898 N/A TYR 446.A OH ALA 162.A O no hydrogen 2.875 N/A LEU 451.A N ARG 477.A O no hydrogen 2.982 N/A GLY 453.A N ASP 450.A O no hydrogen 3.030 N/A PHE 454.A N ASN 422.A OD1 no hydrogen 2.726 N/A GLY 455.A N ASN 422.A O no hydrogen 2.973 N/A THR 458.A OG1 SER 424.A OG no hydrogen 2.943 N/A THR 458.A OG1 GLY 452.A O no hydrogen 2.932 N/A THR 458.A OG1 GLN 487.A OE1 no hydrogen 2.804 N/A THR 459.A OG1 ASP 461.A OD1 no hydrogen 2.963 N/A ARG 460.A NE GLU 493.A O no hydrogen 2.869 N/A ARG 460.A NH2 GLU 493.A O no hydrogen 3.230 N/A ARG 460.A NH2 ASN 494.A O no hydrogen 2.925 N/A ARG 460.A NH2 ASP 497.A OD2 no hydrogen 2.998 N/A LEU 462.A N THR 459.A OG1 no hydrogen 3.359 N/A LEU 463.A N THR 459.A O no hydrogen 3.171 N/A LEU 464.A N ARG 460.A O no hydrogen 3.314 N/A ARG 465.A N ASP 461.A O no hydrogen 3.018 N/A ARG 465.A NH1 VAL 599.A O no hydrogen 3.481 N/A ARG 465.A NH1 ALA 600.A O no hydrogen 3.034 N/A ARG 465.A NH2 ALA 563.A O no hydrogen 3.271 N/A ARG 465.A NH2 VAL 599.A O no hydrogen 3.071 N/A PHE 466.A N LEU 462.A O no hydrogen 2.971 N/A LEU 467.A N LEU 463.A O no hydrogen 2.869 N/A ALA 468.A N LEU 464.A O no hydrogen 3.020 N/A LEU 469.A N ARG 465.A O no hydrogen 3.324 N/A LEU 469.A N PHE 466.A O no hydrogen 3.106 N/A GLY 470.A N PHE 466.A O no hydrogen 2.948 N/A VAL 471.A N LEU 467.A O no hydrogen 2.893 N/A PHE 472.A N LEU 469.A O no hydrogen 3.102 N/A THR 473.A N GLY 470.A O no hydrogen 2.933 N/A THR 473.A OG1 GLY 470.A O no hydrogen 3.144 N/A THR 473.A OG1 LEU 475.A O no hydrogen 2.851 N/A LEU 475.A N THR 447.A O no hydrogen 3.125 N/A ARG 477.A NE ASP 450.A OD1 no hydrogen 3.352 N/A ARG 477.A NH2 ASP 450.A OD1 no hydrogen 3.005 N/A ASP 478.A N GLY 166.A O no hydrogen 2.961 N/A ALA 481.A N PHE 454.A O no hydrogen 2.917 N/A THR 484.A N ALA 481.A O no hydrogen 3.407 N/A THR 484.A OG1 ALA 481.A O no hydrogen 3.034 N/A THR 484.A OG1 ARG 485.A O no hydrogen 3.481 N/A ARG 485.A N ASP 457.A OD2 no hydrogen 2.983 N/A ARG 485.A NH2 THR 458.A O no hydrogen 2.873 N/A GLN 487.A NE2 GLY 453.A O no hydrogen 3.419 N/A GLN 487.A NE2 ASP 478.A OD1 no hydrogen 3.323 N/A CYS 489.A N TYR 185.A OH no hydrogen 3.224 N/A CYS 489.A SG TYR 185.A OH no hydrogen 3.431 N/A GLN 491.A N GLU 488.A O no hydrogen 2.971 N/A GLN 491.A NE2 GLU 488.A OE2 no hydrogen 2.801 N/A GLU 493.A N GLU 493.A OE2 no hydrogen 2.767 N/A GLU 496.A N GLU 496.A OE1 no hydrogen 2.706 N/A ASP 497.A N ASN 494.A O no hydrogen 3.236 N/A PHE 498.A N ILE 495.A O no hydrogen 2.824 N/A ARG 499.A N ILE 495.A O no hydrogen 3.268 N/A SER 500.A N GLU 496.A O no hydrogen 2.817 N/A SER 500.A OG ASN 602.A O no hydrogen 3.431 N/A VAL 501.A N ASP 497.A O no hydrogen 3.198 N/A ILE 502.A N PHE 498.A O no hydrogen 2.994 N/A ASN 503.A N ARG 499.A O no hydrogen 2.738 N/A ALA 504.A N SER 500.A O no hydrogen 3.288 N/A ALA 504.A N VAL 501.A O no hydrogen 3.107 N/A ARG 505.A N VAL 501.A O no hydrogen 3.393 N/A ARG 505.A NE PHE 163.A O no hydrogen 3.041 N/A ARG 505.A NH1 GLY 164.A O no hydrogen 3.369 N/A ARG 505.A NH1 THR 473.A O no hydrogen 3.427 N/A ARG 505.A NH1 PRO 474.A O no hydrogen 2.747 N/A ARG 505.A NH2 VAL 471.A O no hydrogen 2.798 N/A ARG 505.A NH2 THR 473.A O no hydrogen 2.875 N/A TYR 506.A N ILE 502.A O no hydrogen 3.046 N/A TYR 506.A OH ASP 193.A OD2 no hydrogen 2.605 N/A ARG 507.A N ALA 504.A O no hydrogen 3.384 N/A ARG 507.A NE ALA 617.A O no hydrogen 2.647 N/A ARG 507.A NH1 GLY 583.A O no hydrogen 3.332 N/A LEU 508.A N ALA 504.A O no hydrogen 3.134 N/A TYR 511.A OH LEU 549.A O no hydrogen 3.094 N/A TYR 511.A OH GLU 552.A OE1 no hydrogen 2.995 N/A LEU 512.A N LEU 508.A O no hydrogen 2.847 N/A TYR 513.A N VAL 509.A O no hydrogen 2.814 N/A TYR 513.A OH ASP 646.A OD1 no hydrogen 2.589 N/A TYR 513.A OH ASP 646.A OD2 no hydrogen 3.381 N/A SER 514.A N PRO 510.A O no hydrogen 2.931 N/A SER 514.A OG TYR 641.A OH no hydrogen 2.724 N/A GLU 515.A N TYR 511.A O no hydrogen 2.787 N/A TYR 516.A N LEU 512.A O no hydrogen 2.833 N/A TYR 516.A OH TYR 156.A O no hydrogen 2.829 N/A MET 517.A N TYR 513.A O no hydrogen 2.727 N/A LYS 518.A N SER 514.A O no hydrogen 2.877 N/A LYS 518.A NZ GLU 515.A OE2 no hydrogen 2.899 N/A LYS 518.A NZ THR 642.A O no hydrogen 3.065 N/A LYS 518.A NZ THR 642.A OG1 no hydrogen 3.371 N/A ALA 519.A N GLU 515.A O no hydrogen 3.097 N/A ALA 520.A N TYR 516.A O no hydrogen 2.930 N/A LEU 521.A N MET 517.A O no hydrogen 3.060 N/A ASN 522.A N ALA 519.A O no hydrogen 3.092 N/A ASP 523.A N ALA 520.A O no hydrogen 3.160 N/A ASP 524.A N ALA 519.A O no hydrogen 2.734 N/A MET 525.A N ASP 524.A OD1 no hydrogen 2.560 N/A TYR 526.A N ASN 440.A OD1 no hydrogen 2.866 N/A TYR 526.A OH PHE 472.A O no hydrogen 2.967 N/A PHE 527.A N ASN 440.A OD1 no hydrogen 2.957 N/A LYS 528.A N MET 548.A O no hydrogen 2.939 N/A LYS 528.A NZ TYR 142.A OH no hydrogen 2.629 N/A LYS 528.A NZ GLY 550.A O no hydrogen 3.329 N/A LYS 528.A NZ ASN 551.A OD1 no hydrogen 3.151 N/A PHE 532.A N PRO 529.A O no hydrogen 3.114 N/A VAL 533.A N LEU 530.A O no hydrogen 3.047 N/A TYR 534.A N LEU 530.A O no hydrogen 2.868 N/A TYR 534.A OH GLU 572.A OE2 no hydrogen 2.610 N/A ASP 537.A N TYR 534.A O no hydrogen 3.177 N/A MET 539.A N ASP 537.A OD1 no hydrogen 2.897 N/A ALA 540.A N ASP 537.A OD1 no hydrogen 2.915 N/A ILE 541.A N ASP 537.A O no hydrogen 3.158 N/A ARG 542.A N MET 539.A O no hydrogen 3.252 N/A ARG 542.A NH1 ASP 48.A O no hydrogen 3.002 N/A VAL 543.A N ALA 540.A O no hydrogen 3.172 N/A GLN 546.A NE2 TYR 569.A O no hydrogen 3.156 N/A LEU 547.A N ILE 555.A O no hydrogen 3.004 N/A MET 548.A N LYS 528.A O no hydrogen 2.765 N/A LEU 549.A N ILE 553.A O no hydrogen 2.715 N/A GLY 550.A N TYR 526.A O no hydrogen 2.925 N/A ASN 551.A N GLU 552.A OE1 no hydrogen 2.859 N/A ILE 553.A N LEU 549.A O no hydrogen 3.237 N/A MET 554.A N PHE 607.A O no hydrogen 2.989 N/A ILE 555.A N LEU 547.A O no hydrogen 2.725 N/A TYR 559.A OH ASP 545.A OD2 no hydrogen 2.669 N/A GLN 561.A NE2 ASP 461.A OD2 no hydrogen 3.374 N/A ALA 563.A N GLU 560.A O no hydrogen 3.241 N/A ARG 566.A N VAL 597.A O no hydrogen 3.002 N/A ARG 566.A NE TYR 567.A O no hydrogen 2.938 N/A ARG 566.A NH1 ASP 545.A O no hydrogen 2.793 N/A ARG 566.A NH1 PRO 557.A O no hydrogen 2.813 N/A ARG 566.A NH2 ASP 545.A O no hydrogen 3.283 N/A ARG 566.A NH2 TYR 567.A O no hydrogen 3.130 N/A VAL 568.A N HIS 595.A O no hydrogen 2.771 N/A TYR 569.A N GLN 546.A OE1 no hydrogen 3.093 N/A TYR 569.A OH ASP 537.A OD1 no hydrogen 2.767 N/A TYR 569.A OH ASP 537.A OD2 no hydrogen 2.497 N/A LEU 570.A N GLY 593.A O no hydrogen 2.755 N/A MET 574.A N LEU 590.A O no hydrogen 3.289 N/A LYS 575.A N ILE 608.A O no hydrogen 3.013 N/A LYS 575.A NZ GLU 587.A OE2 no hydrogen 3.089 N/A LYS 575.A NZ GLY 635.A O no hydrogen 2.806 N/A PHE 576.A N GLU 588.A O no hydrogen 2.645 N/A ILE 577.A N LEU 606.A O no hydrogen 2.840 N/A LYS 578.A N SER 586.A O no hydrogen 3.118 N/A LYS 578.A NZ ASP 598.A O no hydrogen 2.830 N/A LYS 578.A NZ GLU 603.A OE1 no hydrogen 3.010 N/A PHE 579.A N VAL 604.A O no hydrogen 2.680 N/A MET 580.A N SER 584.A O no hydrogen 2.776 N/A GLY 583.A N MET 580.A O no hydrogen 3.181 N/A SER 584.A N ASP 582.A OD1 no hydrogen 3.044 N/A SER 584.A OG ASP 582.A OD1 no hydrogen 2.830 N/A SER 584.A OG ASP 582.A OD2 no hydrogen 3.299 N/A SER 586.A N LYS 578.A O no hydrogen 2.904 N/A GLU 588.A N PHE 576.A O no hydrogen 3.233 N/A LEU 590.A N MET 574.A O no hydrogen 3.167 N/A LYS 592.A NZ PRO 571.A O no hydrogen 2.968 N/A GLY 593.A N LEU 570.A O no hydrogen 2.969 N/A HIS 595.A N VAL 568.A O no hydrogen 2.989 N/A HIS 595.A NE2 GLU 591.A O no hydrogen 2.877 N/A VAL 597.A N ARG 566.A O no hydrogen 2.943 N/A VAL 599.A N ARG 564.A O no hydrogen 2.758 N/A ALA 600.A N GLU 603.A OE1 no hydrogen 2.926 N/A ASN 602.A ND2 ASP 497.A OD1 no hydrogen 2.896 N/A ASN 602.A ND2 ASP 497.A OD2 no hydrogen 3.473 N/A GLU 603.A N ALA 600.A O no hydrogen 3.349 N/A VAL 604.A N PHE 579.A O no hydrogen 3.262 N/A LEU 606.A N ILE 577.A O no hydrogen 2.857 N/A PHE 607.A N MET 554.A O no hydrogen 2.786 N/A ILE 608.A N LYS 575.A O no hydrogen 2.909 N/A ARG 609.A N GLU 552.A O no hydrogen 2.826 N/A ARG 609.A NE ASN 551.A O no hydrogen 3.244 N/A ARG 609.A NH1 ASN 551.A O no hydrogen 2.987 N/A ARG 609.A NH2 GLU 572.A OE2 no hydrogen 3.293 N/A CYS 613.A SG SER 639.A OG no hydrogen 3.100 N/A ILE 614.A N ILE 634.A O no hydrogen 2.938 N/A VAL 616.A N GLN 632.A O no hydrogen 2.751 N/A ALA 617.A N ARG 507.A O no hydrogen 3.183 N/A CYS 622.A SG ASP 625.A OD2 no hydrogen 3.102 N/A VAL 623.A N ASP 193.A OD1 no hydrogen 2.906 N/A VAL 623.A N ASP 193.A OD2 no hydrogen 3.166 N/A LYS 624.A NZ GLU 229.A OE1 no hydrogen 3.211 N/A ASP 625.A N CYS 622.A O no hydrogen 3.035 N/A ILE 626.A N VAL 623.A O no hydrogen 3.415 N/A GLU 629.A N ASP 627.A OD1 no hydrogen 3.250 N/A GLN 632.A N VAL 616.A O no hydrogen 2.918 N/A ILE 634.A N ILE 614.A O no hydrogen 2.978 N/A TYR 636.A N LYS 612.A O no hydrogen 2.846 N/A TYR 636.A OH GLU 573.A OE2 no hydrogen 3.040 N/A SER 639.A N TYR 636.A O no hydrogen 3.050 N/A SER 639.A OG TYR 636.A O no hydrogen 2.618 N/A TYR 641.A N LEU 662.A O no hydrogen 2.708 N/A TYR 641.A OH SER 514.A OG no hydrogen 2.724 N/A TYR 641.A OH GLU 515.A OE2 no hydrogen 2.509 N/A LEU 643.A N ARG 660.A O no hydrogen 3.152 N/A TYR 644.A N SER 514.A OG no hydrogen 2.847 N/A TYR 644.A OH ASP 646.A OD2 no hydrogen 2.886 N/A GLU 645.A N ASN 658.A O no hydrogen 2.758 N/A GLY 648.A N ASP 646.A OD1 no hydrogen 2.950 N/A ILE 649.A N ASP 647.A OD1 no hydrogen 2.889 N/A HIS 650.A N ASP 647.A OD1 no hydrogen 3.076 N/A HIS 650.A ND1 ASP 647.A OD2 no hydrogen 2.747 N/A LYS 655.A NZ ASP 652.A OD1 no hydrogen 3.504 N/A ASN 658.A N LYS 655.A O no hydrogen 2.922 N/A ASN 658.A ND2 ASP 652.A O no hydrogen 2.851 N/A ASN 658.A ND2 TYR 653.A O no hydrogen 2.917 N/A TYR 659.A N LYS 656.A O no hydrogen 3.410 N/A LEU 662.A N TYR 641.A O no hydrogen 2.757 N/A LYS 664.A N SER 639.A O no hydrogen 3.085 N/A LYS 664.A NZ GLU 637.A OE2 no hydrogen 3.329 N/A