Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2uxn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N GLY 1.A O no hydrogen 3.389 N/A ALA 6.A N VAL 2.A O no hydrogen 3.375 N/A PHE 7.A N GLU 3.A O no hydrogen 3.150 N/A GLN 8.A N GLY 4.A O no hydrogen 2.743 N/A GLN 8.A NE2 LEU 165.A O no hydrogen 3.050 N/A SER 9.A N ALA 6.A O no hydrogen 3.089 N/A SER 9.A OG ALA 5.A O no hydrogen 3.040 N/A ARG 10.A N PHE 7.A O no hydrogen 3.070 N/A ARG 10.A NH1 GLY 167.A O no hydrogen 2.754 N/A LEU 11.A N ALA 6.A O no hydrogen 2.708 N/A THR 17.A N GLU 20.A OE1 no hydrogen 2.758 N/A GLN 19.A NE2 TYR 83.A OH no hydrogen 3.480 N/A GLU 20.A N THR 17.A OG1 no hydrogen 3.217 N/A ALA 21.A N THR 17.A O no hydrogen 2.859 N/A ALA 22.A N SER 18.A O no hydrogen 3.106 N/A CYS 23.A N GLN 19.A O no hydrogen 3.375 N/A CYS 23.A SG GLN 19.A O no hydrogen 3.648 N/A PHE 24.A N GLU 20.A O no hydrogen 2.774 N/A ILE 28.A N PHE 24.A O no hydrogen 3.179 N/A SER 29.A N PRO 25.A O no hydrogen 3.207 N/A SER 29.A OG PRO 25.A O no hydrogen 2.570 N/A SER 29.A OG ASP 26.A O no hydrogen 3.231 N/A GLY 30.A N ILE 27.A O no hydrogen 3.089 N/A GLN 35.A N PRO 31.A O no hydrogen 3.343 N/A GLN 35.A NE2 GLY 30.A O no hydrogen 3.124 N/A LYS 36.A N GLN 32.A O no hydrogen 3.034 N/A VAL 37.A N GLN 33.A O no hydrogen 3.322 N/A PHE 38.A N THR 34.A O no hydrogen 3.100 N/A LEU 39.A N GLN 35.A O no hydrogen 2.963 N/A PHE 40.A N LYS 36.A O no hydrogen 3.110 N/A ILE 41.A N VAL 37.A O no hydrogen 3.163 N/A ARG 42.A N PHE 38.A O no hydrogen 2.847 N/A ARG 42.A NE GLU 20.A OE2 no hydrogen 2.635 N/A ARG 42.A NH1 PRO 12.A O no hydrogen 2.968 N/A ARG 42.A NH1 ASN 43.A OD1 no hydrogen 2.905 N/A ARG 42.A NH2 PRO 12.A O no hydrogen 3.346 N/A ARG 42.A NH2 ARG 15.A O no hydrogen 2.958 N/A ARG 42.A NH2 GLU 20.A OE1 no hydrogen 2.739 N/A ARG 42.A NH2 GLU 20.A OE2 no hydrogen 3.105 N/A ASN 43.A N LEU 39.A O no hydrogen 2.883 N/A ASN 43.A ND2 HIS 13.A O no hydrogen 3.270 N/A ARG 44.A N PHE 40.A O no hydrogen 2.804 N/A ARG 44.A NH1 GLN 47.A OE1 no hydrogen 2.456 N/A ARG 44.A NH2 GLN 65.A O no hydrogen 3.513 N/A THR 45.A N ILE 41.A O no hydrogen 2.954 N/A THR 45.A OG1 ILE 41.A O no hydrogen 2.570 N/A LEU 46.A N ARG 42.A O no hydrogen 2.981 N/A GLN 47.A N ASN 43.A O no hydrogen 2.840 N/A LEU 48.A N ARG 44.A O no hydrogen 2.829 N/A TRP 49.A N THR 45.A O no hydrogen 3.078 N/A LEU 50.A N LEU 46.A O no hydrogen 2.783 N/A ASP 51.A N GLN 47.A O no hydrogen 2.788 N/A ASN 52.A N TRP 49.A O no hydrogen 3.283 N/A GLN 56.A N LYS 96.A O no hydrogen 2.922 N/A LEU 57.A N ASN 91.A OD1 no hydrogen 2.739 N/A GLU 60.A N GLU 60.A OE1 no hydrogen 2.679 N/A ALA 61.A N THR 58.A OG1 no hydrogen 3.037 N/A THR 62.A N PHE 59.A O no hydrogen 2.956 N/A THR 62.A OG1 THR 58.A O no hydrogen 2.588 N/A LEU 63.A N PHE 59.A O no hydrogen 3.040 N/A GLN 64.A N GLU 60.A O no hydrogen 3.263 N/A LEU 66.A N LEU 63.A O no hydrogen 3.441 N/A ASN 71.A N GLU 67.A O no hydrogen 3.060 N/A SER 72.A N PRO 69.A O no hydrogen 2.799 N/A SER 72.A OG PRO 69.A O no hydrogen 2.564 N/A LEU 76.A N ASP 73.A OD1 no hydrogen 3.450 N/A VAL 77.A N ASP 73.A O no hydrogen 3.341 N/A HIS 78.A N THR 74.A O no hydrogen 2.931 N/A ARG 79.A N VAL 75.A O no hydrogen 2.835 N/A ARG 79.A NE TYR 662.A O no hydrogen 3.360 N/A ARG 79.A NH1 ASP 26.A OD2 no hydrogen 3.278 N/A ARG 79.A NH2 ASP 26.A OD1 no hydrogen 2.967 N/A ARG 79.A NH2 ASP 26.A OD2 no hydrogen 3.517 N/A VAL 80.A N LEU 76.A O no hydrogen 3.064 N/A HIS 81.A N VAL 77.A O no hydrogen 2.812 N/A HIS 81.A NE2 LEU 57.A O no hydrogen 2.704 N/A SER 82.A N HIS 78.A O no hydrogen 3.017 N/A SER 82.A OG HIS 78.A O no hydrogen 3.092 N/A TYR 83.A N ARG 79.A O no hydrogen 2.864 N/A LEU 84.A N VAL 80.A O no hydrogen 2.978 N/A GLU 85.A N HIS 81.A O no hydrogen 2.930 N/A ARG 86.A N SER 82.A O no hydrogen 2.754 N/A ARG 86.A NH1 ASP 655.A OD1 no hydrogen 2.881 N/A ARG 86.A NH1 GLY 659.A O no hydrogen 3.353 N/A HIS 87.A N TYR 83.A O no hydrogen 3.141 N/A HIS 87.A ND1 TYR 83.A O no hydrogen 2.829 N/A GLY 88.A N GLU 85.A O no hydrogen 3.007 N/A LEU 89.A N LEU 84.A O no hydrogen 2.885 N/A ASN 91.A ND2 LEU 57.A O no hydrogen 3.016 N/A ASN 91.A ND2 GLU 85.A OE2 no hydrogen 2.803 N/A ILE 94.A N GLN 176.A OE1 no hydrogen 2.744 N/A TYR 95.A OH ASN 91.A O no hydrogen 2.786 N/A LYS 96.A N LYS 54.A O no hydrogen 2.700 N/A ARG 97.A NH1 TYR 95.A OH no hydrogen 3.486 N/A ILE 98.A N GLN 56.A OE1 no hydrogen 3.286 N/A LYS 99.A NZ GLU 60.A OE1 no hydrogen 3.496 N/A THR 106.A N GLY 129.A O no hydrogen 2.723 N/A LYS 108.A N ASP 447.A OD2 no hydrogen 2.779 N/A LYS 108.A NZ ASP 131.A OD1 no hydrogen 3.263 N/A LYS 108.A NZ THR 133.A OG1 no hydrogen 2.792 N/A VAL 109.A N ASP 131.A O no hydrogen 2.827 N/A ILE 110.A N ALA 448.A O no hydrogen 3.112 N/A ILE 111.A N THR 133.A O no hydrogen 2.929 N/A ILE 112.A N LEU 450.A O no hydrogen 2.795 N/A GLY 113.A N LEU 135.A O no hydrogen 2.727 N/A SER 114.A N GLU 136.A OE1 no hydrogen 2.695 N/A SER 114.A OG GLU 136.A OE1 no hydrogen 3.179 N/A LEU 119.A N GLY 115.A O no hydrogen 2.862 N/A ALA 120.A N VAL 116.A O no hydrogen 2.888 N/A ALA 121.A N SER 117.A O no hydrogen 3.202 N/A ALA 122.A N GLY 118.A O no hydrogen 2.993 N/A ARG 123.A N LEU 119.A O no hydrogen 3.088 N/A ARG 123.A NE LEU 406.A O no hydrogen 3.150 N/A ARG 123.A NH1 GLY 93.A O no hydrogen 3.260 N/A ARG 123.A NH2 GLU 408.A O no hydrogen 2.777 N/A GLN 124.A N ALA 120.A O no hydrogen 3.265 N/A LEU 125.A N ALA 121.A O no hydrogen 2.838 N/A GLN 126.A N ALA 122.A O no hydrogen 2.791 N/A GLN 126.A NE2 GLY 409.A O no hydrogen 3.005 N/A SER 127.A N ARG 123.A O no hydrogen 2.788 N/A PHE 128.A N LEU 125.A O no hydrogen 2.938 N/A GLY 129.A N GLN 126.A O no hydrogen 3.007 N/A MET 130.A N LEU 125.A O no hydrogen 3.109 N/A ASP 131.A N GLY 107.A O no hydrogen 3.024 N/A THR 133.A N VAL 109.A O no hydrogen 3.153 N/A THR 133.A OG1 ASP 411.A OD2 no hydrogen 2.790 N/A LEU 134.A N ASP 411.A O no hydrogen 2.871 N/A LEU 135.A N ILE 111.A O no hydrogen 2.892 N/A GLU 136.A N LYS 413.A O no hydrogen 3.017 N/A ARG 138.A N GLU 136.A OE2 no hydrogen 3.075 N/A ARG 138.A NH1 ASP 582.A OD2 no hydrogen 2.999 N/A ARG 138.A NH2 ASP 582.A OD2 no hydrogen 2.685 N/A ARG 140.A NH1 VAL 141.A O no hydrogen 2.899 N/A ARG 140.A NH1 GLY 143.A O no hydrogen 3.335 N/A ARG 140.A NH2 GLY 143.A O no hydrogen 2.912 N/A GLY 142.A N SER 114.A O no hydrogen 2.993 N/A ARG 144.A NH1 SER 588.A O no hydrogen 2.801 N/A ARG 144.A NH1 GLU 629.A OE1 no hydrogen 2.949 N/A ARG 144.A NH2 GLU 629.A OE1 no hydrogen 3.550 N/A VAL 145.A N GLY 142.A O no hydrogen 2.751 N/A THR 147.A OG1 ASP 156.A OD1 no hydrogen 2.786 N/A PHE 148.A N ALA 155.A O no hydrogen 2.625 N/A ARG 149.A NH1 ASN 397.A O no hydrogen 2.946 N/A ARG 149.A NH2 ASN 397.A O no hydrogen 2.887 N/A ARG 149.A NH2 GLY 398.A O no hydrogen 3.460 N/A ARG 149.A NH2 SER 400.A OG no hydrogen 2.927 N/A LYS 150.A N TYR 153.A O no hydrogen 3.103 N/A LYS 150.A NZ GLU 573.A OE1 no hydrogen 3.096 N/A LYS 150.A NZ GLU 573.A OE2 no hydrogen 2.611 N/A TYR 153.A N LYS 150.A O no hydrogen 3.052 N/A TYR 153.A OH PHE 494.A O no hydrogen 2.704 N/A ALA 155.A N PHE 148.A O no hydrogen 2.942 N/A LEU 157.A N ALA 146.A O no hydrogen 2.672 N/A ALA 159.A N ARG 144.A O no hydrogen 3.177 N/A VAL 162.A N LEU 393.A O no hydrogen 3.004 N/A GLY 164.A N VAL 162.A O no hydrogen 3.062 N/A GLY 166.A N THR 389.A O no hydrogen 2.826 N/A GLY 167.A N GLN 8.A OE1 no hydrogen 2.914 N/A ASN 168.A N LEU 165.A O no hydrogen 3.183 N/A ASN 168.A ND2 GLY 164.A O no hydrogen 2.943 N/A MET 170.A N ASN 168.A OD1 no hydrogen 2.821 N/A ALA 171.A N ASN 168.A O no hydrogen 3.064 N/A VAL 172.A N PRO 169.A O no hydrogen 3.089 N/A VAL 173.A N PRO 169.A O no hydrogen 3.382 N/A SER 174.A N MET 170.A O no hydrogen 2.840 N/A SER 174.A OG MET 170.A O no hydrogen 3.487 N/A SER 174.A OG ALA 171.A O no hydrogen 2.698 N/A LYS 175.A N VAL 172.A O no hydrogen 3.079 N/A GLN 176.A N VAL 172.A O no hydrogen 3.250 N/A GLN 176.A N VAL 173.A O no hydrogen 2.964 N/A GLN 176.A NE2 PRO 53.A O no hydrogen 2.762 N/A GLN 176.A NE2 PHE 92.A O no hydrogen 3.137 N/A VAL 177.A N VAL 173.A O no hydrogen 2.744 N/A GLU 180.A N ASN 397.A OD1 no hydrogen 2.931 N/A LEU 181.A N MET 179.A O no hydrogen 2.878 N/A ALA 182.A N THR 394.A O no hydrogen 3.105 N/A ILE 184.A N HIS 392.A O no hydrogen 3.071 N/A LYS 185.A N ASN 504.A OD1 no hydrogen 2.781 N/A CYS 188.A SG LEU 505.A O no hydrogen 3.625 N/A TYR 191.A N GLY 507.A O no hydrogen 2.863 N/A GLU 192.A N GLN 196.A O no hydrogen 3.104 N/A GLY 195.A N GLU 192.A O no hydrogen 2.732 N/A GLN 196.A N ASN 194.A OD1 no hydrogen 2.727 N/A VAL 198.A N LEU 190.A O no hydrogen 3.115 N/A LYS 202.A NZ ASP 353.A OD1 no hydrogen 2.678 N/A LYS 202.A NZ ASP 353.A OD2 no hydrogen 3.446 N/A ASP 203.A N PRO 199.A O no hydrogen 3.112 N/A GLU 204.A N LYS 200.A O no hydrogen 3.153 N/A MET 205.A N GLU 201.A O no hydrogen 2.986 N/A VAL 206.A N LYS 202.A O no hydrogen 2.815 N/A GLU 207.A N ASP 203.A O no hydrogen 3.142 N/A GLN 208.A N GLU 204.A O no hydrogen 2.975 N/A GLU 209.A N MET 205.A O no hydrogen 3.063 N/A PHE 210.A N VAL 206.A O no hydrogen 2.727 N/A ASN 211.A N GLU 207.A O no hydrogen 3.023 N/A ARG 212.A N GLN 208.A O no hydrogen 2.957 N/A ARG 212.A NE GLU 209.A OE1 no hydrogen 3.267 N/A LEU 213.A N GLU 209.A O no hydrogen 2.684 N/A LEU 214.A N PHE 210.A O no hydrogen 3.075 N/A GLU 215.A N ASN 211.A O no hydrogen 3.015 N/A ALA 216.A N ARG 212.A O no hydrogen 2.991 N/A THR 217.A N LEU 213.A O no hydrogen 3.120 N/A THR 217.A OG1 LEU 214.A O no hydrogen 2.465 N/A SER 218.A N LEU 214.A O no hydrogen 3.083 N/A SER 218.A OG HIS 222.A ND1 no hydrogen 3.181 N/A TYR 219.A N GLU 215.A O no hydrogen 3.094 N/A LEU 220.A N ALA 216.A O no hydrogen 2.879 N/A SER 221.A N THR 217.A O no hydrogen 2.938 N/A SER 221.A N SER 218.A O no hydrogen 3.039 N/A SER 221.A OG ASN 227.A OD1 no hydrogen 2.707 N/A HIS 222.A N SER 218.A O no hydrogen 2.793 N/A HIS 222.A ND1 SER 218.A O no hydrogen 2.982 N/A GLN 223.A N TYR 219.A O no hydrogen 2.825 N/A LEU 224.A N TYR 219.A O no hydrogen 3.321 N/A PHE 226.A N LEU 220.A O no hydrogen 3.148 N/A ASN 227.A ND2 SER 221.A O no hydrogen 3.227 N/A LEU 229.A N LYS 232.A O no hydrogen 2.908 N/A VAL 234.A N ASN 227.A O no hydrogen 2.965 N/A SER 235.A N GLN 238.A OE1 no hydrogen 3.351 N/A SER 235.A OG SER 373.A O no hydrogen 3.322 N/A LEU 236.A N LEU 375.A O no hydrogen 2.890 N/A GLY 237.A N LEU 372.A O no hydrogen 2.874 N/A GLN 238.A N SER 235.A OG no hydrogen 3.164 N/A ALA 239.A N SER 235.A O no hydrogen 3.121 N/A LEU 240.A N LEU 236.A O no hydrogen 2.948 N/A GLU 241.A N GLY 237.A O no hydrogen 3.058 N/A VAL 242.A N GLN 238.A O no hydrogen 2.989 N/A VAL 243.A N ALA 239.A O no hydrogen 2.956 N/A ILE 244.A N LEU 240.A O no hydrogen 2.850 N/A GLN 245.A N GLU 241.A O no hydrogen 2.748 N/A LEU 246.A N VAL 242.A O no hydrogen 2.882 N/A GLN 247.A N VAL 243.A O no hydrogen 3.032 N/A GLN 247.A N ILE 244.A O no hydrogen 2.889 N/A GLN 247.A NE2 VAL 243.A O no hydrogen 3.361 N/A GLU 248.A N ILE 244.A O no hydrogen 2.941 N/A LYS 249.A N GLN 245.A O no hydrogen 2.917 N/A LYS 249.A NZ ASP 253.A OD1 no hydrogen 2.972 N/A HIS 250.A N LEU 246.A O no hydrogen 3.093 N/A VAL 251.A N GLN 247.A O no hydrogen 3.296 N/A LYS 252.A N GLU 248.A O no hydrogen 3.164 N/A ASP 253.A N LYS 249.A O no hydrogen 2.812 N/A GLU 254.A N HIS 250.A O no hydrogen 2.866 N/A GLN 255.A N VAL 251.A O no hydrogen 3.077 N/A GLN 255.A NE2 SER 345.A O no hydrogen 2.918 N/A GLN 255.A NE2 ASP 346.A O no hydrogen 2.891 N/A ILE 256.A N LYS 252.A O no hydrogen 3.039 N/A GLU 257.A N ASP 253.A O no hydrogen 3.106 N/A HIS 258.A N GLU 254.A O no hydrogen 3.059 N/A HIS 258.A N GLN 255.A O no hydrogen 3.040 N/A HIS 258.A NE2 LEU 339.A O no hydrogen 2.931 N/A TRP 259.A N GLN 255.A O no hydrogen 3.062 N/A LYS 260.A N ILE 256.A O no hydrogen 2.928 N/A LYS 261.A N GLU 257.A O no hydrogen 3.173 N/A LYS 261.A N HIS 258.A O no hydrogen 3.246 N/A ILE 262.A N HIS 258.A O no hydrogen 3.264 N/A VAL 263.A N TRP 259.A O no hydrogen 3.189 N/A LYS 264.A N LYS 260.A O no hydrogen 3.145 N/A THR 265.A N LYS 261.A O no hydrogen 3.153 N/A THR 265.A OG1 LYS 261.A O no hydrogen 3.058 N/A GLN 266.A N ILE 262.A O no hydrogen 2.721 N/A GLU 267.A N VAL 263.A O no hydrogen 2.675 N/A GLU 267.A N LYS 264.A O no hydrogen 3.242 N/A GLU 268.A N LYS 264.A O no hydrogen 3.129 N/A GLU 268.A N THR 265.A O no hydrogen 2.985 N/A LEU 269.A N THR 265.A O no hydrogen 3.028 N/A LYS 270.A N GLN 266.A O no hydrogen 3.075 N/A GLU 271.A N GLU 267.A O no hydrogen 3.173 N/A LEU 272.A N GLU 268.A O no hydrogen 3.030 N/A LEU 273.A N LEU 269.A O no hydrogen 2.770 N/A ASN 274.A N LYS 270.A O no hydrogen 3.032 N/A LYS 275.A N GLU 271.A O no hydrogen 3.084 N/A MET 276.A N LEU 272.A O no hydrogen 2.909 N/A VAL 277.A N LEU 273.A O no hydrogen 2.919 N/A ASN 278.A N ASN 274.A O no hydrogen 3.249 N/A LEU 279.A N LYS 275.A O no hydrogen 2.796 N/A LYS 280.A N MET 276.A O no hydrogen 2.835 N/A GLU 281.A N VAL 277.A O no hydrogen 3.218 N/A LYS 282.A N ASN 278.A O no hydrogen 2.988 N/A ILE 283.A N LEU 279.A O no hydrogen 2.855 N/A LYS 284.A N LYS 280.A O no hydrogen 3.013 N/A GLU 285.A N GLU 281.A O no hydrogen 3.051 N/A LEU 286.A N LYS 282.A O no hydrogen 2.980 N/A HIS 287.A N ILE 283.A O no hydrogen 2.965 N/A GLN 288.A N LYS 284.A O no hydrogen 3.209 N/A GLN 288.A NE2 GLU 292.A OE2 no hydrogen 3.291 N/A GLN 289.A N GLU 285.A O no hydrogen 3.163 N/A TYR 290.A N LEU 286.A O no hydrogen 2.943 N/A LYS 291.A N HIS 287.A O no hydrogen 3.009 N/A GLU 292.A N GLN 288.A O no hydrogen 2.933 N/A ALA 293.A N GLN 289.A O no hydrogen 2.989 N/A SER 294.A N TYR 290.A O no hydrogen 2.696 N/A GLU 295.A N GLU 292.A O no hydrogen 3.298 N/A ARG 300.A NE GLU 305.A OE1 no hydrogen 2.827 N/A ARG 300.A NH1 VAL 296.A O no hydrogen 2.540 N/A ARG 300.A NH2 GLU 305.A OE1 no hydrogen 3.519 N/A THR 303.A OG1 ASP 301.A OD1 no hydrogen 2.791 N/A ALA 304.A N ASP 301.A OD1 no hydrogen 2.942 N/A GLU 305.A N ASP 301.A O no hydrogen 3.184 N/A PHE 306.A N ILE 302.A O no hydrogen 2.754 N/A LEU 307.A N THR 303.A O no hydrogen 2.794 N/A VAL 308.A N ALA 304.A O no hydrogen 3.231 N/A LYS 309.A N GLU 305.A O no hydrogen 3.025 N/A LYS 309.A NZ GLU 305.A OE2 no hydrogen 3.492 N/A SER 310.A N PHE 306.A O no hydrogen 2.704 N/A SER 310.A OG PHE 306.A O no hydrogen 3.034 N/A SER 310.A OG LEU 307.A O no hydrogen 3.074 N/A LYS 311.A N LEU 307.A O no hydrogen 3.050 N/A LYS 311.A NZ GLN 289.A OE1 no hydrogen 3.186 N/A HIS 312.A N VAL 308.A O no hydrogen 2.980 N/A ARG 313.A N LYS 309.A O no hydrogen 3.082 N/A ARG 313.A NE ASP 314.A OD1 no hydrogen 2.946 N/A ASP 314.A N SER 310.A O no hydrogen 2.865 N/A LEU 315.A N LYS 311.A O no hydrogen 2.967 N/A THR 316.A N HIS 312.A O no hydrogen 3.025 N/A THR 316.A OG1 HIS 312.A O no hydrogen 2.747 N/A ALA 317.A N ARG 313.A O no hydrogen 2.942 N/A LEU 318.A N ASP 314.A O no hydrogen 3.076 N/A CYS 319.A N LEU 315.A O no hydrogen 2.894 N/A CYS 319.A SG LEU 315.A O no hydrogen 3.361 N/A LYS 320.A N THR 316.A O no hydrogen 3.031 N/A LYS 320.A N ALA 317.A O no hydrogen 3.042 N/A GLU 321.A N ALA 317.A O no hydrogen 2.988 N/A TYR 322.A N LEU 318.A O no hydrogen 3.105 N/A ASP 323.A N CYS 319.A O no hydrogen 3.301 N/A GLU 324.A N LYS 320.A O no hydrogen 3.147 N/A GLU 324.A N GLU 321.A O no hydrogen 3.223 N/A LEU 325.A N GLU 321.A O no hydrogen 3.113 N/A ALA 326.A N TYR 322.A O no hydrogen 2.888 N/A THR 328.A N GLU 324.A O no hydrogen 3.121 N/A THR 328.A OG1 GLU 324.A O no hydrogen 3.197 N/A GLN 329.A N LEU 325.A O no hydrogen 2.896 N/A GLY 330.A N ALA 326.A O no hydrogen 3.357 N/A LYS 331.A N THR 328.A O no hydrogen 3.245 N/A LEU 332.A N THR 328.A O no hydrogen 3.159 N/A GLU 333.A N GLN 329.A O no hydrogen 3.054 N/A GLU 334.A N GLY 330.A O no hydrogen 3.390 N/A LYS 335.A N LYS 331.A O no hydrogen 3.139 N/A LEU 336.A N LEU 332.A O no hydrogen 3.026 N/A GLU 338.A N GLU 334.A O no hydrogen 3.042 N/A LEU 339.A N LYS 335.A O no hydrogen 3.241 N/A GLU 340.A N LEU 336.A O no hydrogen 3.049 N/A ALA 341.A N GLU 338.A O no hydrogen 3.276 N/A ASN 342.A N LEU 339.A O no hydrogen 2.923 N/A TYR 348.A OH GLU 209.A OE2 no hydrogen 2.632 N/A SER 350.A N ASP 353.A OD2 no hydrogen 2.964 N/A SER 350.A OG ASP 353.A OD2 no hydrogen 2.695 N/A ASP 353.A N SER 350.A OG no hydrogen 3.188 N/A ARG 354.A N SER 350.A O no hydrogen 2.823 N/A ARG 354.A NE ASP 358.A OD1 no hydrogen 3.114 N/A ARG 354.A NH2 ASP 358.A OD1 no hydrogen 2.781 N/A GLN 355.A N SER 351.A O no hydrogen 3.095 N/A GLN 355.A NE2 SER 511.A O no hydrogen 2.790 N/A ILE 356.A N ARG 352.A O no hydrogen 3.135 N/A LEU 357.A N ASP 353.A O no hydrogen 2.977 N/A ASP 358.A N ARG 354.A O no hydrogen 2.894 N/A TRP 359.A N ILE 356.A O no hydrogen 3.103 N/A TRP 359.A NE1 PHE 520.A O no hydrogen 2.756 N/A HIS 360.A N ILE 356.A O no hydrogen 3.433 N/A PHE 361.A N LEU 357.A O no hydrogen 3.010 N/A ALA 362.A N ASP 358.A O no hydrogen 2.887 N/A ASN 363.A N TRP 359.A O no hydrogen 2.875 N/A LEU 364.A N HIS 360.A O no hydrogen 3.052 N/A GLU 365.A N PHE 361.A O no hydrogen 2.810 N/A PHE 366.A N ALA 362.A O no hydrogen 2.775 N/A ALA 367.A N ASN 363.A O no hydrogen 3.015 N/A ASN 368.A N LEU 364.A O no hydrogen 3.083 N/A ASN 368.A ND2 LEU 364.A O no hydrogen 3.136 N/A ALA 369.A N PHE 366.A O no hydrogen 2.941 N/A THR 370.A N GLU 365.A O no hydrogen 3.028 N/A THR 370.A OG1 THR 374.A OG1 no hydrogen 2.549 N/A LEU 372.A N GLU 365.A OE2 no hydrogen 3.012 N/A THR 374.A N PRO 371.A O no hydrogen 3.004 N/A THR 374.A OG1 THR 370.A OG1 no hydrogen 2.549 N/A THR 374.A OG1 PRO 371.A O no hydrogen 2.687 N/A SER 376.A N VAL 592.A O no hydrogen 2.822 N/A LEU 377.A N VAL 234.A O no hydrogen 3.144 N/A HIS 379.A N SER 376.A OG no hydrogen 2.890 N/A TRP 380.A N SER 376.A O no hydrogen 2.984 N/A GLN 382.A N HIS 379.A O no hydrogen 2.829 N/A GLN 382.A NE2 ARG 633.A O no hydrogen 2.953 N/A ASP 384.A N ASP 381.A O no hydrogen 3.301 N/A PHE 386.A N ASP 383.A O no hydrogen 3.085 N/A GLU 387.A N ASP 384.A O no hydrogen 3.218 N/A THR 389.A N GLY 166.A O no hydrogen 3.392 N/A LEU 393.A N VAL 162.A O no hydrogen 2.960 N/A THR 394.A N ALA 182.A O no hydrogen 3.027 N/A ARG 396.A N GLU 180.A O no hydrogen 2.930 N/A ARG 396.A NE LEU 525.A O no hydrogen 3.366 N/A ASN 397.A N ASN 397.A OD1 no hydrogen 2.675 N/A ASN 397.A ND2 ASN 178.A O no hydrogen 2.695 N/A GLY 398.A N VAL 395.A O no hydrogen 3.078 N/A TYR 399.A N ASP 156.A OD1 no hydrogen 3.152 N/A TYR 399.A N ASP 156.A OD2 no hydrogen 3.281 N/A SER 400.A N THR 147.A OG1 no hydrogen 2.837 N/A CYS 401.A N GLY 398.A O no hydrogen 3.234 N/A CYS 401.A SG GLY 398.A O no hydrogen 3.334 N/A VAL 402.A N TYR 399.A O no hydrogen 2.960 N/A VAL 404.A N SER 400.A O no hydrogen 3.026 N/A ALA 405.A N CYS 401.A O no hydrogen 2.987 N/A LEU 406.A N VAL 402.A O no hydrogen 2.930 N/A ALA 407.A N PRO 403.A O no hydrogen 2.820 N/A ALA 407.A N VAL 404.A O no hydrogen 3.193 N/A GLU 408.A N ALA 405.A O no hydrogen 3.343 N/A LEU 410.A N ALA 407.A O no hydrogen 3.048 N/A LYS 413.A N LEU 134.A O no hydrogen 2.875 N/A LYS 413.A NZ ASP 411.A OD1 no hydrogen 3.047 N/A ASN 415.A N ARG 138.A O no hydrogen 2.908 N/A THR 416.A N GLU 136.A O no hydrogen 2.742 N/A THR 416.A OG1 LYS 413.A O no hydrogen 3.110 N/A THR 416.A OG1 LEU 414.A O no hydrogen 2.720 N/A ALA 417.A N VAL 433.A O no hydrogen 2.939 N/A ARG 419.A N ILE 431.A O no hydrogen 2.736 N/A GLN 420.A N ILE 431.A O no hydrogen 2.963 N/A GLN 420.A NE2 GLN 466.A OE1 no hydrogen 3.286 N/A VAL 421.A N GLN 466.A O no hydrogen 2.797 N/A ARG 422.A N GLU 429.A O no hydrogen 2.885 N/A ARG 422.A NE GLN 420.A OE1 no hydrogen 3.087 N/A TYR 423.A N VAL 468.A O no hydrogen 3.070 N/A TYR 423.A OH PRO 469.A O no hydrogen 2.714 N/A THR 424.A N GLY 427.A O no hydrogen 2.801 N/A THR 424.A OG1 GLY 427.A O no hydrogen 2.993 N/A GLY 427.A N THR 424.A O no hydrogen 3.250 N/A CYS 428.A N CYS 446.A O no hydrogen 2.698 N/A CYS 428.A SG ASP 447.A O no hydrogen 4.047 N/A CYS 428.A SG ARG 623.A O no hydrogen 3.888 N/A GLU 429.A N ARG 422.A O no hydrogen 2.888 N/A VAL 430.A N TYR 444.A O no hydrogen 2.796 N/A ILE 431.A N GLN 420.A O no hydrogen 2.828 N/A ALA 432.A N PHE 442.A O no hydrogen 3.002 N/A VAL 433.A N ALA 417.A O no hydrogen 3.022 N/A ASN 434.A N GLN 440.A O no hydrogen 3.157 N/A ASN 434.A ND2 GLN 440.A OE1 no hydrogen 3.032 N/A THR 435.A N ASN 415.A O no hydrogen 3.020 N/A THR 435.A OG1 ASN 415.A OD1 no hydrogen 3.557 N/A ARG 436.A N ASN 434.A OD1 no hydrogen 2.896 N/A ARG 436.A NE ASN 434.A OD1 no hydrogen 3.013 N/A ARG 436.A NH2 ASN 434.A OD1 no hydrogen 3.473 N/A GLN 440.A N SER 437.A O no hydrogen 3.093 N/A THR 441.A OG1 SER 439.A O no hydrogen 3.128 N/A PHE 442.A N ALA 432.A O no hydrogen 2.650 N/A TYR 444.A N VAL 430.A O no hydrogen 3.029 N/A LYS 445.A NZ GLU 429.A OE1 no hydrogen 3.359 N/A CYS 446.A N CYS 428.A O no hydrogen 2.777 N/A CYS 446.A SG CYS 428.A O no hydrogen 3.942 N/A CYS 446.A SG ALA 448.A O no hydrogen 3.297 N/A ASP 447.A N LYS 108.A O no hydrogen 2.846 N/A ALA 448.A N LYS 108.A O no hydrogen 3.358 N/A VAL 449.A N ARG 623.A O no hydrogen 3.023 N/A LEU 450.A N ILE 110.A O no hydrogen 2.909 N/A CYS 451.A N PHE 625.A O no hydrogen 2.725 N/A THR 452.A N ILE 112.A O no hydrogen 3.087 N/A THR 452.A OG1 ILE 112.A O no hydrogen 2.622 N/A LEU 458.A N PRO 454.A O no hydrogen 3.088 N/A LYS 459.A N LEU 455.A O no hydrogen 2.908 N/A LYS 459.A N GLY 456.A O no hydrogen 3.296 N/A LYS 459.A NZ VAL 479.A O no hydrogen 2.751 N/A LYS 459.A NZ MET 482.A O no hydrogen 2.611 N/A GLN 460.A N GLY 456.A O no hydrogen 3.208 N/A GLN 460.A N VAL 457.A O no hydrogen 3.058 N/A GLN 466.A N ARG 419.A O no hydrogen 2.933 N/A VAL 468.A N VAL 421.A O no hydrogen 2.793 N/A LYS 475.A N PRO 472.A O no hydrogen 2.884 N/A LYS 475.A NZ LEU 603.A O no hydrogen 2.920 N/A LYS 475.A NZ MET 604.A O no hydrogen 2.777 N/A LYS 475.A NZ GLN 606.A O no hydrogen 2.754 N/A THR 476.A N PRO 472.A O no hydrogen 3.013 N/A THR 476.A OG1 GLU 473.A O no hydrogen 3.176 N/A SER 477.A N GLU 473.A O no hydrogen 2.734 N/A SER 477.A OG GLU 473.A O no hydrogen 3.062 N/A VAL 479.A N LYS 475.A O no hydrogen 3.108 N/A GLN 480.A N THR 476.A O no hydrogen 2.859 N/A ARG 481.A N SER 477.A O no hydrogen 2.962 N/A ARG 481.A NE ASP 600.A OD1 no hydrogen 3.278 N/A ARG 481.A NE ASP 600.A OD2 no hydrogen 3.048 N/A ARG 481.A NH2 ASP 600.A OD1 no hydrogen 2.514 N/A MET 482.A N ALA 478.A O no hydrogen 2.886 N/A GLY 483.A N TYR 591.A O no hydrogen 3.238 N/A GLY 485.A N TYR 589.A O no hydrogen 2.896 N/A ASN 486.A N ALA 369.A O no hydrogen 2.629 N/A ASN 486.A ND2 GLU 544.A OE2 no hydrogen 3.203 N/A ASN 488.A N VAL 535.A O no hydrogen 2.985 N/A ASN 488.A ND2 GLU 544.A OE2 no hydrogen 2.757 N/A LYS 489.A N SER 577.A OG no hydrogen 2.933 N/A LYS 489.A NZ GLY 158.A O no hydrogen 2.802 N/A VAL 490.A N ALA 533.A O no hydrogen 2.770 N/A VAL 491.A N VAL 575.A O no hydrogen 2.787 N/A LEU 492.A N LEU 531.A O no hydrogen 2.760 N/A CYS 493.A N GLU 573.A O no hydrogen 2.931 N/A PHE 494.A N PRO 529.A O no hydrogen 3.103 N/A TRP 499.A NE1 ASN 524.A OD1 no hydrogen 3.057 N/A SER 502.A N ASP 500.A OD1 no hydrogen 3.203 N/A SER 502.A OG ASP 500.A OD1 no hydrogen 2.864 N/A VAL 503.A N ASP 500.A O no hydrogen 3.126 N/A ASN 504.A ND2 ASN 524.A O no hydrogen 3.126 N/A PHE 506.A N PHE 522.A O no hydrogen 3.174 N/A GLY 507.A N PRO 189.A O no hydrogen 2.896 N/A HIS 508.A N PHE 520.A O no hydrogen 2.804 N/A VAL 509.A N TYR 191.A O no hydrogen 2.848 N/A THR 512.A OG1 SER 515.A OG no hydrogen 3.078 N/A THR 513.A OG1 ASP 358.A OD2 no hydrogen 2.664 N/A SER 515.A OG THR 512.A O no hydrogen 3.508 N/A SER 515.A OG THR 512.A OG1 no hydrogen 3.078 N/A ARG 516.A N THR 513.A O no hydrogen 3.081 N/A ARG 516.A NE GLU 365.A OE1 no hydrogen 3.005 N/A ARG 516.A NH1 ASP 358.A OD1 no hydrogen 3.285 N/A ARG 516.A NH2 GLU 365.A OE2 no hydrogen 2.672 N/A GLU 518.A N SER 515.A O no hydrogen 3.044 N/A PHE 522.A N PHE 506.A O no hydrogen 2.881 N/A TRP 523.A N LEU 532.A O no hydrogen 2.646 N/A ASN 524.A N ASN 504.A O no hydrogen 2.701 N/A ASN 524.A ND2 PRO 501.A O no hydrogen 3.676 N/A ASN 524.A ND2 VAL 503.A O no hydrogen 2.751 N/A TYR 526.A OH ASP 156.A OD2 no hydrogen 2.941 N/A LEU 531.A N LEU 492.A O no hydrogen 2.917 N/A LEU 532.A N TRP 523.A O no hydrogen 2.846 N/A ALA 533.A N VAL 490.A O no hydrogen 2.808 N/A LEU 534.A N LEU 521.A O no hydrogen 2.901 N/A VAL 535.A N ASN 488.A O no hydrogen 2.941 N/A ALA 536.A N GLY 517.A O no hydrogen 2.836 N/A ALA 540.A N GLY 537.A O no hydrogen 3.148 N/A MET 543.A N ALA 539.A O no hydrogen 2.717 N/A ASN 545.A N ILE 542.A O no hydrogen 3.229 N/A ILE 546.A N MET 543.A O no hydrogen 3.090 N/A ILE 551.A N SER 547.A O no hydrogen 3.058 N/A VAL 552.A N ASP 548.A O no hydrogen 2.687 N/A GLY 553.A N ASP 549.A O no hydrogen 2.768 N/A ARG 554.A N VAL 550.A O no hydrogen 3.000 N/A ARG 554.A NH1 GLU 518.A OE2 no hydrogen 3.282 N/A CYS 555.A N ILE 551.A O no hydrogen 3.047 N/A CYS 555.A SG ILE 551.A O no hydrogen 3.467 N/A LEU 556.A N VAL 552.A O no hydrogen 2.860 N/A ALA 557.A N GLY 553.A O no hydrogen 2.939 N/A ILE 558.A N ARG 554.A O no hydrogen 3.081 N/A LEU 559.A N CYS 555.A O no hydrogen 3.063 N/A LYS 560.A N LEU 556.A O no hydrogen 2.836 N/A GLY 561.A N ALA 557.A O no hydrogen 3.055 N/A ILE 562.A N LEU 559.A O no hydrogen 3.133 N/A PHE 563.A N LEU 559.A O no hydrogen 2.757 N/A GLY 564.A N LYS 560.A O no hydrogen 2.667 N/A LYS 572.A N CYS 493.A O no hydrogen 2.883 N/A LYS 572.A NZ ASP 495.A OD2 no hydrogen 3.012 N/A VAL 575.A N VAL 491.A O no hydrogen 3.189 N/A SER 577.A N LYS 489.A O no hydrogen 3.017 N/A SER 577.A OG ASN 488.A OD1 no hydrogen 2.624 N/A ARG 578.A NE GLU 544.A O no hydrogen 3.004 N/A ARG 578.A NH1 ASP 548.A OD1 no hydrogen 3.056 N/A ARG 578.A NH2 ILE 546.A O no hydrogen 2.821 N/A ARG 578.A NH2 ASP 548.A OD1 no hydrogen 3.330 N/A TRP 579.A N ASN 488.A OD1 no hydrogen 2.982 N/A TRP 579.A NE1 LEU 157.A O no hydrogen 2.955 N/A ARG 580.A N GLU 544.A OE2 no hydrogen 2.972 N/A ARG 580.A NH1 PHE 484.A O no hydrogen 2.869 N/A ARG 580.A NH1 ARG 586.A O.A no hydrogen 2.870 N/A ARG 580.A NH1 ARG 586.A O.B no hydrogen 2.853 N/A ARG 580.A NH2 PHE 484.A O no hydrogen 2.846 N/A ALA 581.A N GLU 544.A OE1 no hydrogen 2.988 N/A ASP 582.A N ARG 578.A O no hydrogen 3.138 N/A TRP 584.A N ASP 582.A OD1 no hydrogen 2.916 N/A ALA 585.A N ASP 582.A O no hydrogen 3.013 N/A ARG 586.A N.A ASP 582.A O no hydrogen 2.702 N/A ARG 586.A N.B ASP 582.A O no hydrogen 2.707 N/A ARG 586.A NH1.B GLY 456.A O no hydrogen 3.144 N/A GLY 587.A N TRP 579.A O no hydrogen 2.927 N/A SER 588.A N GLY 485.A O no hydrogen 2.802 N/A TYR 589.A OH ALA 367.A O no hydrogen 2.833 N/A SER 590.A N GLU 629.A OE2 no hydrogen 2.617 N/A SER 590.A OG GLU 629.A OE2 no hydrogen 2.300 N/A TYR 591.A N GLY 483.A O no hydrogen 2.951 N/A ALA 594.A N THR 374.A O no hydrogen 2.964 N/A SER 596.A N ALA 593.A O no hydrogen 2.853 N/A SER 596.A OG ASP 600.A OD2 no hydrogen 2.737 N/A SER 597.A N SER 596.A OG no hydrogen 2.755 N/A ASN 599.A N SER 597.A OG no hydrogen 3.195 N/A ASP 600.A N SER 597.A O no hydrogen 3.086 N/A TYR 601.A N GLY 598.A O no hydrogen 3.280 N/A LEU 603.A N ASN 599.A O no hydrogen 3.032 N/A MET 604.A N ASP 600.A O no hydrogen 2.851 N/A ALA 605.A N TYR 601.A O no hydrogen 3.126 N/A GLN 606.A N ASP 602.A O no hydrogen 3.185 N/A GLN 606.A N LEU 603.A O no hydrogen 3.247 N/A GLN 606.A NE2 ASP 602.A O no hydrogen 3.208 N/A ILE 608.A N LEU 624.A O no hydrogen 2.686 N/A ALA 617.A N ILE 614.A O no hydrogen 3.179 N/A ARG 623.A N ILE 608.A O no hydrogen 2.972 N/A ARG 623.A NH1 ASP 447.A O no hydrogen 2.751 N/A ARG 623.A NH2 ALA 425.A O no hydrogen 2.789 N/A LEU 624.A N ILE 608.A O no hydrogen 3.240 N/A PHE 625.A N VAL 449.A O no hydrogen 2.777 N/A ALA 627.A N CYS 451.A O no hydrogen 3.062 N/A GLY 628.A N SER 645.A OG no hydrogen 2.803 N/A THR 631.A N GLY 628.A O no hydrogen 2.610 N/A THR 631.A OG1 GLY 628.A O no hydrogen 2.541 N/A ARG 633.A NH1 ASP 602.A OD2 no hydrogen 2.811 N/A THR 638.A OG1 TYR 635.A O no hydrogen 2.831 N/A GLY 641.A N THR 638.A OG1 no hydrogen 2.922 N/A ALA 642.A N THR 638.A O no hydrogen 3.180 N/A LEU 643.A N VAL 639.A O no hydrogen 2.842 N/A LEU 644.A N HIS 640.A O no hydrogen 2.747 N/A SER 645.A N GLY 641.A O no hydrogen 2.935 N/A SER 645.A OG GLY 641.A O no hydrogen 3.510 N/A SER 645.A OG ALA 642.A O no hydrogen 2.673 N/A GLY 646.A N ALA 642.A O no hydrogen 3.023 N/A LEU 647.A N LEU 643.A O no hydrogen 3.142 N/A ARG 648.A N LEU 644.A O no hydrogen 2.900 N/A ARG 648.A NE GLU 649.A OE2 no hydrogen 2.454 N/A ARG 648.A NH1 THR 631.A O no hydrogen 2.635 N/A ARG 648.A NH2 PHE 626.A O no hydrogen 3.012 N/A ARG 648.A NH2 THR 631.A OG1 no hydrogen 3.063 N/A ARG 648.A NH2 GLU 649.A OE2 no hydrogen 2.886 N/A GLU 649.A N SER 645.A O no hydrogen 3.023 N/A ALA 650.A N GLY 646.A O no hydrogen 2.994 N/A GLY 651.A N LEU 647.A O no hydrogen 3.228 N/A ARG 652.A N ARG 648.A O no hydrogen 3.056 N/A ARG 652.A NE GLU 649.A OE1 no hydrogen 3.124 N/A ARG 652.A NH2 GLU 649.A OE1 no hydrogen 3.560 N/A ARG 652.A NH2 GLU 649.A OE2 no hydrogen 2.870 N/A ILE 653.A N GLU 649.A O no hydrogen 2.769 N/A ALA 654.A N ALA 650.A O no hydrogen 2.883 N/A ASP 655.A N GLY 651.A O no hydrogen 2.870 N/A GLN 656.A N ARG 652.A O no hydrogen 3.056 N/A PHE 657.A N ILE 653.A O no hydrogen 2.852 N/A LEU 658.A N ALA 654.A O no hydrogen 2.731 N/A TYR 662.A OH ASP 655.A OD1 no hydrogen 2.928 N/A THR 663.A OG1 ALA 660.A O no hydrogen 3.285 N/A