Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ep9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N ASP 1.A OD1 no hydrogen 3.050 N/A LEU 4.A N THR 134.A OG1 no hydrogen 3.092 N/A HIS 6.A NE2 ASP 1.A OD1 no hydrogen 3.111 N/A HIS 6.A NE2 ASP 1.A OD2 no hydrogen 2.641 N/A SER 7.A N LEU 139.A O no hydrogen 2.738 N/A SER 7.A OG VAL 9.A O no hydrogen 2.461 N/A THR 11.A N GLY 138.A O no hydrogen 3.015 N/A THR 11.A OG1 LEU 140.A O no hydrogen 2.561 N/A HIS 13.A N PRO 10.A O no hydrogen 3.102 N/A HIS 13.A NE2 ILE 161.A O no hydrogen 3.056 N/A GLN 15.A N MET 12.A O no hydrogen 3.273 N/A SER 17.A N TYR 14.A O no hydrogen 3.203 N/A SER 17.A OG TYR 14.A O no hydrogen 3.376 N/A SER 17.A OG PRO 166.A O no hydrogen 2.857 N/A SER 17.A OG SER 169.A OG no hydrogen 3.250 N/A ARG 20.A NH2 ASP 72.A OD2 no hydrogen 3.297 N/A LYS 25.A NZ GLU 27.A OE1 no hydrogen 3.525 N/A THR 29.A N LYS 25.A O no hydrogen 3.149 N/A THR 29.A OG1 HIS 524.A ND1 no hydrogen 2.709 N/A MET 30.A N LEU 26.A O no hydrogen 2.877 N/A LYS 31.A N GLU 27.A O no hydrogen 3.170 N/A ARG 32.A N ASP 28.A O no hydrogen 2.900 N/A ARG 32.A NH1 GLN 519.A OE1 no hydrogen 2.850 N/A TYR 33.A N THR 29.A O no hydrogen 2.862 N/A LEU 34.A N MET 30.A O no hydrogen 2.985 N/A ASN 35.A N LYS 31.A O no hydrogen 2.868 N/A ALA 36.A N ARG 32.A O no hydrogen 3.061 N/A GLN 37.A N TYR 33.A O no hydrogen 3.063 N/A GLN 37.A NE2 TYR 33.A OH no hydrogen 3.051 N/A GLN 37.A NE2 ALA 547.A O no hydrogen 2.876 N/A LYS 38.A N LEU 34.A O no hydrogen 3.042 N/A LEU 40.A N GLN 37.A O no hydrogen 2.891 N/A LEU 41.A N GLN 37.A O no hydrogen 3.103 N/A ASP 42.A N GLN 45.A OE1 no hydrogen 2.835 N/A GLN 45.A N ASP 42.A OD1 no hydrogen 2.842 N/A PHE 46.A N ASP 42.A O no hydrogen 2.853 N/A ARG 47.A N ASP 43.A O no hydrogen 3.067 N/A ARG 47.A NH1 GLU 50.A OE1 no hydrogen 2.662 N/A ARG 48.A N SER 44.A O no hydrogen 3.057 N/A THR 49.A N GLN 45.A O no hydrogen 2.838 N/A THR 49.A OG1 GLN 45.A O no hydrogen 3.312 N/A THR 49.A OG1 ASP 545.A OD2 no hydrogen 2.593 N/A GLU 50.A N PHE 46.A O no hydrogen 2.748 N/A ALA 51.A N ARG 47.A O no hydrogen 3.002 N/A LEU 52.A N ARG 48.A O no hydrogen 3.143 N/A CYS 53.A N THR 49.A O no hydrogen 2.822 N/A CYS 53.A SG THR 49.A O no hydrogen 3.314 N/A LYS 54.A N GLU 50.A O no hydrogen 3.043 N/A ASN 55.A N ALA 51.A O no hydrogen 3.102 N/A PHE 56.A N LEU 52.A O no hydrogen 2.875 N/A GLU 57.A N CYS 53.A O no hydrogen 2.772 N/A THR 58.A N LYS 54.A O no hydrogen 2.972 N/A THR 58.A OG1 LYS 54.A O no hydrogen 3.179 N/A THR 58.A OG1 ASN 55.A O no hydrogen 3.113 N/A GLY 59.A N PHE 56.A O no hydrogen 3.180 N/A LYS 62.A N PHE 56.A O no hydrogen 3.299 N/A GLU 63.A N GLY 59.A O no hydrogen 3.292 N/A LEU 64.A N VAL 60.A O no hydrogen 2.765 N/A HIS 65.A N GLY 61.A O no hydrogen 2.772 N/A HIS 65.A ND1 HIS 524.A NE2 no hydrogen 3.091 N/A ALA 66.A N LYS 62.A O no hydrogen 3.028 N/A HIS 67.A N GLU 63.A O no hydrogen 3.252 N/A LEU 68.A N LEU 64.A O no hydrogen 2.794 N/A LEU 69.A N HIS 65.A O no hydrogen 2.968 N/A ALA 70.A N ALA 66.A O no hydrogen 3.120 N/A GLN 71.A N HIS 67.A O no hydrogen 2.903 N/A ASP 72.A N LEU 68.A O no hydrogen 2.914 N/A LYS 73.A N LEU 69.A O no hydrogen 3.009 N/A GLN 74.A N ALA 70.A O no hydrogen 3.160 N/A GLN 74.A N GLN 71.A O no hydrogen 3.099 N/A ASN 75.A N ASP 72.A O no hydrogen 3.010 N/A ASN 75.A ND2 GLN 71.A O no hydrogen 2.792 N/A THR 78.A N ASN 75.A O no hydrogen 3.191 N/A THR 78.A OG1 HIS 465.A ND1 no hydrogen 2.804 N/A SER 79.A N THR 78.A OG1 no hydrogen 2.689 N/A SER 79.A OG HIS 465.A O no hydrogen 2.968 N/A SER 82.A N SER 79.A O no hydrogen 3.416 N/A TRP 85.A N ILE 81.A O no hydrogen 2.814 N/A PHE 86.A N SER 82.A O no hydrogen 3.096 N/A ASP 87.A N GLY 83.A O no hydrogen 3.030 N/A MET 88.A N PRO 84.A O no hydrogen 2.921 N/A TYR 89.A N TRP 85.A O no hydrogen 3.283 N/A LEU 90.A N PHE 86.A O no hydrogen 2.776 N/A THR 91.A N ASP 87.A O no hydrogen 2.949 N/A THR 91.A OG1 ASP 87.A O no hydrogen 2.647 N/A ARG 93.A NE THR 91.A O no hydrogen 3.011 N/A ARG 93.A NE ALA 92.A O no hydrogen 3.373 N/A ARG 93.A NH1 ARG 197.A O no hydrogen 2.682 N/A ARG 93.A NH1 ASP 266.A OD1 no hydrogen 2.935 N/A ARG 93.A NH2 LEU 90.A O no hydrogen 2.895 N/A ARG 93.A NH2 ASP 201.A OD1 no hydrogen 2.914 N/A SER 95.A OG SER 262.A O no hydrogen 2.534 N/A VAL 97.A N SER 95.A OG no hydrogen 3.146 N/A ASN 99.A N VAL 97.A O no hydrogen 2.750 N/A PHE 100.A N ILE 96.A O no hydrogen 3.097 N/A ASN 101.A N ILE 96.A O no hydrogen 2.899 N/A ASN 101.A ND2 PHE 321.A O no hydrogen 3.152 N/A PHE 103.A N GLY 570.A O no hydrogen 3.045 N/A MET 104.A N VAL 337.A O no hydrogen 2.981 N/A ALA 105.A N LEU 568.A O no hydrogen 2.707 N/A PHE 106.A N ALA 335.A O no hydrogen 2.861 N/A ASN 107.A N ALA 565.A O no hydrogen 2.876 N/A ASP 109.A N ASN 115.A OD1 no hydrogen 2.810 N/A LYS 111.A N ASP 109.A OD1 no hydrogen 2.715 N/A LYS 111.A NZ ASP 109.A OD1 no hydrogen 2.608 N/A LYS 111.A NZ ASP 109.A OD2 no hydrogen 3.469 N/A LYS 111.A NZ THR 361.A O no hydrogen 2.854 N/A TYR 114.A N LYS 111.A O no hydrogen 3.115 N/A ASN 115.A N SER 112.A O no hydrogen 3.154 N/A ASN 115.A ND2 ASP 109.A O no hydrogen 2.913 N/A ASN 115.A ND2 SER 112.A O no hydrogen 3.282 N/A ASP 116.A N GLU 113.A O no hydrogen 3.437 N/A GLN 117.A NE2 ASP 297.A O no hydrogen 2.856 N/A GLN 117.A NE2 VAL 329.A O no hydrogen 2.981 N/A THR 119.A N ASP 116.A OD2 no hydrogen 3.120 N/A THR 119.A OG1 ASP 116.A OD2 no hydrogen 2.714 N/A ARG 120.A N ASP 116.A O no hydrogen 2.991 N/A ARG 120.A NH1 GLY 333.A O no hydrogen 2.943 N/A ARG 120.A NH2 ASN 107.A O no hydrogen 2.806 N/A ALA 121.A N GLN 117.A O no hydrogen 2.863 N/A THR 122.A N LEU 118.A O no hydrogen 3.068 N/A THR 122.A OG1 LEU 118.A O no hydrogen 2.720 N/A ASN 123.A N THR 119.A O no hydrogen 2.895 N/A ASN 123.A ND2 ILE 366.A O no hydrogen 3.481 N/A LEU 124.A N ARG 120.A O no hydrogen 2.796 N/A THR 125.A N ALA 121.A O no hydrogen 2.987 N/A THR 125.A OG1 ALA 121.A O no hydrogen 2.786 N/A VAL 126.A N THR 122.A O no hydrogen 2.909 N/A SER 127.A N ASN 123.A O no hydrogen 2.938 N/A SER 127.A OG ASN 123.A O no hydrogen 3.111 N/A SER 127.A OG ASP 359.A OD2 no hydrogen 2.790 N/A ALA 128.A N LEU 124.A O no hydrogen 2.951 N/A VAL 129.A N THR 125.A O no hydrogen 3.004 N/A ARG 130.A N VAL 126.A O no hydrogen 2.893 N/A ARG 130.A NH1 ASP 359.A OD1 no hydrogen 2.681 N/A ARG 130.A NH1 ASP 359.A OD2 no hydrogen 3.419 N/A ARG 130.A NH2 ASP 1.A O no hydrogen 2.563 N/A PHE 131.A N SER 127.A O no hydrogen 2.839 N/A LEU 132.A N ALA 128.A O no hydrogen 2.988 N/A LYS 133.A N VAL 129.A O no hydrogen 2.871 N/A LYS 133.A NZ GLY 230.A O no hydrogen 2.567 N/A THR 134.A N ARG 130.A O no hydrogen 2.885 N/A THR 134.A OG1 ARG 130.A O no hydrogen 2.556 N/A LEU 135.A N PHE 131.A O no hydrogen 2.976 N/A GLN 136.A N LEU 132.A O no hydrogen 2.984 N/A ALA 137.A N LYS 133.A O no hydrogen 3.057 N/A GLY 138.A N LEU 135.A O no hydrogen 3.232 N/A LEU 139.A N THR 134.A O no hydrogen 3.012 N/A PHE 145.A N TYR 179.A O no hydrogen 2.676 N/A LEU 147.A N ASN 177.A O no hydrogen 2.889 N/A LYS 151.A N ASN 148.A O no hydrogen 2.977 N/A SER 152.A N ASN 148.A O no hydrogen 3.284 N/A SER 152.A OG ASN 148.A O no hydrogen 3.136 N/A ASP 153.A N PRO 149.A O no hydrogen 2.906 N/A PHE 157.A N THR 154.A OG1 no hydrogen 3.078 N/A LYS 158.A N THR 154.A O no hydrogen 2.998 N/A LYS 158.A NZ GLU 141.A OE1 no hydrogen 3.390 N/A LYS 158.A NZ ASP 153.A OD1 no hydrogen 2.950 N/A ARG 159.A N ASP 155.A O no hydrogen 2.829 N/A LEU 160.A N PHE 157.A O no hydrogen 2.933 N/A ILE 161.A N PHE 157.A O no hydrogen 2.744 N/A ARG 162.A N LYS 158.A O no hydrogen 3.364 N/A PHE 163.A N LEU 160.A O no hydrogen 3.167 N/A VAL 164.A N ILE 161.A O no hydrogen 2.835 N/A LEU 168.A N PRO 165.A O no hydrogen 2.760 N/A SER 169.A OG HIS 13.A O no hydrogen 2.631 N/A SER 169.A OG SER 17.A OG no hydrogen 3.250 N/A SER 169.A OG PRO 166.A O no hydrogen 3.467 N/A TRP 170.A N SER 17.A OG no hydrogen 2.759 N/A ALA 173.A N SER 169.A O no hydrogen 3.413 N/A TYR 174.A N TRP 170.A O no hydrogen 2.920 N/A LEU 175.A N TYR 171.A O no hydrogen 3.110 N/A VAL 176.A N ALA 173.A O no hydrogen 2.898 N/A ASN 177.A N TYR 174.A O no hydrogen 3.007 N/A ALA 178.A N ALA 173.A O no hydrogen 2.962 N/A TYR 179.A N PHE 145.A O no hydrogen 2.672 N/A LEU 181.A N GLU 143.A O no hydrogen 2.856 N/A ASP 182.A N ALA 461.A O no hydrogen 2.725 N/A SER 184.A N ASP 182.A OD2 no hydrogen 3.030 N/A SER 184.A OG ASP 182.A OD2 no hydrogen 2.796 N/A GLN 185.A NE2 ASP 345.A OD2 no hydrogen 2.916 N/A TYR 186.A N MET 183.A O no hydrogen 3.283 N/A TYR 186.A OH GLU 143.A OE2 no hydrogen 2.930 N/A TYR 186.A OH ALA 348.A O no hydrogen 3.383 N/A PHE 187.A N SER 184.A O no hydrogen 3.458 N/A ARG 188.A N GLN 185.A O no hydrogen 3.005 N/A LEU 189.A N TYR 186.A O no hydrogen 3.439 N/A ASN 191.A N VAL 291.A O no hydrogen 2.966 N/A ASN 191.A ND2 ALA 209.A O no hydrogen 3.070 N/A ASN 191.A ND2 SER 289.A O no hydrogen 2.889 N/A SER 192.A OG PHE 190.A O no hydrogen 2.625 N/A SER 192.A OG THR 205.A OG1 no hydrogen 2.721 N/A THR 193.A N PHE 204.A O no hydrogen 2.984 N/A ARG 194.A N ASP 322.A O no hydrogen 2.880 N/A ARG 194.A NE ASP 201.A OD2 no hydrogen 2.868 N/A ARG 194.A NH1 GLU 340.A OE2 no hydrogen 2.978 N/A ARG 194.A NH2 TYR 89.A O no hydrogen 3.141 N/A ARG 194.A NH2 ASP 201.A OD2 no hydrogen 3.300 N/A ILE 195.A N GLU 202.A O no hydrogen 2.802 N/A ARG 197.A N ASP 201.A OD1 no hydrogen 2.935 N/A ARG 197.A NE GLU 202.A OE2 no hydrogen 2.897 N/A ARG 197.A NH2 GLU 202.A OE2 no hydrogen 2.786 N/A ARG 200.A N PRO 198.A O no hydrogen 2.730 N/A ARG 200.A NH1 ASP 87.A OD1 no hydrogen 3.205 N/A ASP 201.A N LEU 90.A O no hydrogen 2.839 N/A GLU 202.A N ILE 195.A O no hydrogen 2.973 N/A PHE 204.A N THR 193.A O no hydrogen 2.882 N/A THR 205.A OG1 SER 192.A OG no hydrogen 2.721 N/A ASP 206.A N ASN 191.A O no hydrogen 2.880 N/A LYS 208.A N ASP 206.A OD1 no hydrogen 3.206 N/A ALA 209.A N ASP 206.A O no hydrogen 3.317 N/A ARG 210.A NH1 ASP 224.A OD2 no hydrogen 3.341 N/A ARG 210.A NH1 LEU 226.A O no hydrogen 2.821 N/A HIS 211.A NE2 SER 289.A OG no hydrogen 3.315 N/A LEU 212.A N PHE 223.A O no hydrogen 2.770 N/A LEU 213.A N PHE 292.A O no hydrogen 3.196 N/A VAL 214.A N TYR 221.A O no hydrogen 2.774 N/A LEU 215.A N LEU 294.A O no hydrogen 2.774 N/A ARG 216.A N HIS 219.A O no hydrogen 3.062 N/A ARG 216.A NH1 ILE 245.A O no hydrogen 3.267 N/A ARG 216.A NH1 ASP 248.A O no hydrogen 2.776 N/A HIS 219.A N ARG 216.A O no hydrogen 2.943 N/A TYR 221.A N VAL 214.A O no hydrogen 2.862 N/A TYR 221.A OH ASP 248.A OD2 no hydrogen 2.578 N/A VAL 222.A N GLU 382.A O no hydrogen 3.005 N/A PHE 223.A N LEU 212.A O no hydrogen 3.282 N/A VAL 225.A N ARG 210.A O no hydrogen 2.891 N/A LEU 226.A N ARG 210.A O no hydrogen 3.212 N/A ASP 227.A N ASN 231.A O no hydrogen 2.908 N/A GLY 230.A N ASP 227.A O no hydrogen 3.097 N/A ASN 231.A N ASP 227.A OD1 no hydrogen 2.872 N/A ILE 232.A N ASP 2.A OD2 no hydrogen 3.096 N/A VAL 233.A N VAL 225.A O no hydrogen 2.909 N/A LEU 236.A N ASN 234.A OD1 no hydrogen 2.976 N/A GLU 237.A N ASN 234.A O no hydrogen 2.788 N/A ILE 238.A N ASN 234.A O no hydrogen 3.166 N/A GLN 239.A N PRO 235.A O no hydrogen 2.819 N/A GLN 239.A NE2 SER 370.A O no hydrogen 3.311 N/A ALA 240.A N LEU 236.A O no hydrogen 3.143 N/A HIS 241.A N GLU 237.A O no hydrogen 2.870 N/A LEU 242.A N ILE 238.A O no hydrogen 2.852 N/A LYS 243.A N GLN 239.A O no hydrogen 2.789 N/A TYR 244.A N ALA 240.A O no hydrogen 2.869 N/A ILE 245.A N HIS 241.A O no hydrogen 3.042 N/A LEU 246.A N LEU 242.A O no hydrogen 2.774 N/A SER 247.A N TYR 244.A O no hydrogen 3.098 N/A SER 247.A OG LYS 243.A O no hydrogen 2.618 N/A ASP 248.A N ILE 245.A O no hydrogen 3.107 N/A SER 250.A N ASP 248.A OD1 no hydrogen 3.002 N/A SER 250.A OG ASP 248.A OD1 no hydrogen 2.658 N/A TYR 259.A N PRO 256.A O no hydrogen 3.352 N/A LEU 260.A N VAL 257.A O no hydrogen 3.067 N/A THR 261.A N ALA 258.A O no hydrogen 3.250 N/A THR 261.A OG1 ALA 258.A O no hydrogen 2.921 N/A SER 262.A N TYR 259.A O no hydrogen 3.006 N/A SER 262.A OG TYR 259.A O no hydrogen 2.682 N/A GLU 263.A N LEU 260.A O no hydrogen 3.053 N/A ASN 264.A N GLU 263.A OE2 no hydrogen 2.986 N/A ARG 265.A N ARG 93.A O no hydrogen 2.837 N/A ARG 265.A NE ASP 201.A OD2 no hydrogen 2.679 N/A ARG 265.A NH1 ASP 322.A OD1 no hydrogen 2.801 N/A ARG 265.A NH2 ASP 201.A OD2 no hydrogen 3.008 N/A ARG 265.A NH2 ASP 322.A OD1 no hydrogen 2.955 N/A VAL 267.A N ASN 264.A OD1 no hydrogen 3.133 N/A TRP 268.A N ASN 264.A O no hydrogen 2.922 N/A TRP 268.A NE1 ASP 322.A OD2 no hydrogen 2.655 N/A ALA 269.A N ARG 265.A O no hydrogen 2.835 N/A GLU 270.A N ASP 266.A O no hydrogen 3.131 N/A GLU 270.A N VAL 267.A O no hydrogen 3.271 N/A LEU 271.A N VAL 267.A O no hydrogen 3.075 N/A ARG 272.A N TRP 268.A O no hydrogen 2.837 N/A ARG 272.A NH2 ASP 288.A OD2 no hydrogen 2.788 N/A GLN 273.A N ALA 269.A O no hydrogen 3.337 N/A LYS 274.A N GLU 270.A O no hydrogen 3.058 N/A LEU 275.A N LEU 271.A O no hydrogen 2.822 N/A ILE 276.A N ARG 272.A O no hydrogen 2.986 N/A PHE 277.A N GLN 273.A O no hydrogen 2.946 N/A ASP 278.A N LYS 274.A O no hydrogen 2.941 N/A GLY 279.A N ILE 276.A O no hydrogen 2.801 N/A ASN 280.A N LEU 275.A O no hydrogen 3.135 N/A THR 283.A OG1 SER 385.A O no hydrogen 3.382 N/A LEU 284.A N ASN 280.A O no hydrogen 2.962 N/A LYS 285.A N GLU 281.A O no hydrogen 2.877 N/A LYS 286.A N GLU 282.A O no hydrogen 3.122 N/A LYS 286.A NZ GLU 382.A OE1 no hydrogen 3.035 N/A LYS 286.A NZ GLU 382.A OE2 no hydrogen 3.167 N/A VAL 287.A N THR 283.A O no hydrogen 3.091 N/A ASP 288.A N LEU 284.A O no hydrogen 2.761 N/A SER 289.A N LYS 285.A O no hydrogen 3.102 N/A SER 289.A OG HIS 211.A NE2 no hydrogen 3.315 N/A SER 289.A OG LYS 285.A O no hydrogen 2.946 N/A ALA 290.A N VAL 287.A O no hydrogen 3.444 N/A VAL 291.A N HIS 211.A O no hydrogen 2.917 N/A CYS 293.A N PHE 325.A O no hydrogen 3.498 N/A CYS 293.A SG ASN 326.A OD1 no hydrogen 3.368 N/A LEU 294.A N LEU 213.A O no hydrogen 2.699 N/A CYS 295.A N LEU 327.A O no hydrogen 2.780 N/A CYS 295.A SG ASN 318.A O no hydrogen 3.183 N/A CYS 295.A SG ASN 326.A OD1 no hydrogen 3.030 N/A LEU 296.A N LEU 215.A O no hydrogen 2.813 N/A ASP 297.A N VAL 329.A O no hydrogen 3.080 N/A ASP 298.A N ASP 298.A OD1 no hydrogen 2.491 N/A MET 301.A N ASP 332.A OD2 no hydrogen 3.040 N/A HIS 306.A N ASP 303.A OD1 no hydrogen 2.832 N/A LEU 307.A N ASP 303.A O no hydrogen 2.881 N/A SER 308.A N LEU 304.A O no hydrogen 2.905 N/A SER 308.A OG LEU 304.A O no hydrogen 2.817 N/A HIS 309.A N ILE 305.A O no hydrogen 2.900 N/A HIS 309.A ND1 HIS 313.A NE2 no hydrogen 2.860 N/A THR 310.A N HIS 306.A O no hydrogen 2.840 N/A THR 310.A OG1 HIS 306.A O no hydrogen 2.955 N/A MET 311.A N LEU 307.A O no hydrogen 2.922 N/A LEU 312.A N SER 308.A O no hydrogen 2.994 N/A HIS 313.A N HIS 309.A O no hydrogen 3.010 N/A HIS 313.A ND1 GLY 314.A O no hydrogen 2.683 N/A HIS 313.A NE2 HIS 309.A ND1 no hydrogen 2.860 N/A GLY 314.A N HIS 309.A O no hydrogen 2.899 N/A THR 317.A N ASP 315.A OD1 no hydrogen 2.985 N/A THR 317.A OG1 ASP 315.A OD1 no hydrogen 2.687 N/A ARG 319.A NE THR 310.A O no hydrogen 3.433 N/A ARG 319.A NH1 ASP 297.A OD1 no hydrogen 2.845 N/A ARG 319.A NH1 ASP 297.A OD2 no hydrogen 3.390 N/A ARG 319.A NH1 ASN 318.A O no hydrogen 3.005 N/A ARG 319.A NH2 ASP 297.A OD2 no hydrogen 2.684 N/A ARG 319.A NH2 THR 310.A O no hydrogen 2.765 N/A TRP 320.A N ASN 326.A OD1 no hydrogen 3.132 N/A PHE 321.A N THR 261.A OG1 no hydrogen 2.959 N/A LYS 323.A N TRP 320.A O no hydrogen 3.130 N/A LYS 323.A NZ SER 192.A O no hydrogen 3.223 N/A LYS 323.A NZ ASP 288.A O no hydrogen 2.699 N/A LYS 323.A NZ ALA 290.A O no hydrogen 2.689 N/A SER 324.A N SER 192.A O no hydrogen 2.994 N/A SER 324.A OG LEU 189.A O no hydrogen 2.601 N/A SER 324.A OG SER 192.A O no hydrogen 3.523 N/A ASN 326.A N HIS 338.A O no hydrogen 2.716 N/A ASN 326.A ND2 TRP 320.A O no hydrogen 2.923 N/A LEU 327.A N CYS 293.A O no hydrogen 2.806 N/A ILE 328.A N ALA 336.A O no hydrogen 2.909 N/A VAL 329.A N CYS 295.A O no hydrogen 2.979 N/A ALA 330.A N THR 334.A O no hydrogen 2.788 N/A GLU 331.A N PHE 299.A O no hydrogen 2.912 N/A GLY 333.A N ALA 330.A O no hydrogen 2.988 N/A THR 334.A N ASP 332.A OD1 no hydrogen 2.967 N/A THR 334.A OG1 ASP 332.A OD1 no hydrogen 2.541 N/A ALA 336.A N ILE 328.A O no hydrogen 3.030 N/A VAL 337.A N MET 104.A O no hydrogen 2.869 N/A HIS 338.A N ASN 326.A O no hydrogen 2.953 N/A PHE 339.A N PRO 102.A O no hydrogen 3.227 N/A GLU 340.A N SER 324.A O no hydrogen 3.143 N/A HIS 341.A ND1 HIS 341.A O no hydrogen 2.742 N/A SER 342.A N GLU 340.A OE2 no hydrogen 2.979 N/A SER 342.A OG GLU 340.A OE1 no hydrogen 2.856 N/A SER 342.A OG GLU 340.A OE2 no hydrogen 3.037 N/A TRP 343.A NE1 SER 324.A O no hydrogen 2.931 N/A ASP 345.A N GLN 185.A OE1 no hydrogen 2.856 N/A ALA 348.A N ASP 345.A O no hydrogen 3.247 N/A VAL 349.A N ASP 345.A O no hydrogen 3.226 N/A LEU 350.A N GLY 346.A O no hydrogen 2.863 N/A ARG 351.A N VAL 347.A O no hydrogen 3.216 N/A ARG 351.A NE GLU 355.A OE2 no hydrogen 2.935 N/A ARG 351.A NH1 GLU 141.A O no hydrogen 3.056 N/A ARG 351.A NH2 GLU 141.A O no hydrogen 2.790 N/A ARG 351.A NH2 GLU 355.A OE2 no hydrogen 3.528 N/A PHE 352.A N ALA 348.A O no hydrogen 3.351 N/A PHE 353.A N VAL 349.A O no hydrogen 2.810 N/A ASN 354.A N LEU 350.A O no hydrogen 2.715 N/A GLU 355.A N ARG 351.A O no hydrogen 3.028 N/A VAL 356.A N PHE 352.A O no hydrogen 2.990 N/A PHE 357.A N PHE 353.A O no hydrogen 3.002 N/A ARG 358.A N ASN 354.A O no hydrogen 3.012 N/A ARG 358.A NH2 GLU 355.A OE1 no hydrogen 2.773 N/A ASP 359.A N GLU 355.A O no hydrogen 2.926 N/A SER 360.A N VAL 356.A O no hydrogen 2.887 N/A SER 360.A OG VAL 356.A O no hydrogen 2.816 N/A SER 360.A OG PHE 357.A O no hydrogen 3.210 N/A THR 361.A N PHE 357.A O no hydrogen 3.122 N/A THR 361.A OG1 PHE 357.A O no hydrogen 2.678 N/A THR 361.A OG1 ARG 358.A O no hydrogen 3.483 N/A GLN 362.A N ARG 358.A O no hydrogen 2.904 N/A THR 363.A N ASP 359.A O no hydrogen 2.798 N/A THR 367.A N SER 370.A OG no hydrogen 2.998 N/A GLN 369.A N THR 367.A OG1 no hydrogen 2.946 N/A GLN 369.A NE2 GLU 113.A OE1 no hydrogen 3.434 N/A SER 370.A N THR 367.A O no hydrogen 3.078 N/A SER 370.A OG THR 367.A O no hydrogen 3.435 N/A GLN 371.A NE2 GLN 369.A O no hydrogen 3.650 N/A ALA 373.A N LEU 236.A O no hydrogen 2.947 N/A SER 378.A OG ASN 376.A OD1 no hydrogen 2.671 N/A ALA 379.A N ASN 376.A O no hydrogen 2.917 N/A SER 380.A N SER 377.A O no hydrogen 2.936 N/A VAL 381.A N SER 377.A O no hydrogen 2.668 N/A GLU 382.A N VAL 222.A O no hydrogen 2.944 N/A LEU 384.A N PHE 220.A O no hydrogen 2.957 N/A ASN 387.A ND2 ASP 278.A O no hydrogen 3.165 N/A SER 389.A OG ASP 278.A OD2 no hydrogen 3.368 N/A LEU 392.A N SER 389.A OG no hydrogen 3.154 N/A LYS 393.A N SER 389.A O no hydrogen 2.976 N/A ALA 394.A N GLY 390.A O no hydrogen 2.947 N/A GLY 395.A N ALA 391.A O no hydrogen 2.898 N/A ILE 396.A N LEU 392.A O no hydrogen 2.884 N/A THR 397.A N LYS 393.A O no hydrogen 3.024 N/A THR 397.A OG1 LYS 393.A O no hydrogen 3.170 N/A ALA 398.A N ALA 394.A O no hydrogen 2.988 N/A ALA 399.A N GLY 395.A O no hydrogen 2.824 N/A LYS 400.A N ILE 396.A O no hydrogen 2.896 N/A LYS 400.A NZ ASP 404.A OD2 no hydrogen 2.738 N/A GLU 401.A N THR 397.A O no hydrogen 3.111 N/A LYS 402.A N ALA 398.A O no hydrogen 3.083 N/A PHE 403.A N ALA 399.A O no hydrogen 2.879 N/A ASP 404.A N LYS 400.A O no hydrogen 2.817 N/A THR 405.A N GLU 401.A O no hydrogen 2.999 N/A THR 406.A N LYS 402.A O no hydrogen 3.215 N/A THR 406.A OG1 LYS 402.A O no hydrogen 3.110 N/A VAL 407.A N PHE 403.A O no hydrogen 3.030 N/A LYS 408.A N ASP 404.A O no hydrogen 3.138 N/A THR 409.A N THR 406.A O no hydrogen 2.954 N/A THR 409.A OG1 THR 406.A O no hydrogen 2.519 N/A LEU 410.A N VAL 407.A O no hydrogen 2.835 N/A SER 411.A N SER 596.A O no hydrogen 2.830 N/A ASP 413.A N VAL 594.A O no hydrogen 3.002 N/A SER 414.A N ASP 413.A OD1 no hydrogen 2.763 N/A ILE 415.A N CYS 592.A O no hydrogen 2.991 N/A GLN 416.A NE2 SER 414.A OG no hydrogen 2.833 N/A PHE 417.A N ILE 590.A O no hydrogen 2.701 N/A ARG 419.A NH1 GLU 614.A O no hydrogen 3.037 N/A ARG 419.A NH1 ASP 618.A OD1 no hydrogen 2.860 N/A ARG 419.A NH2 ASP 618.A OD1 no hydrogen 2.878 N/A ARG 419.A NH2 GLU 621.A OE1 no hydrogen 2.724 N/A ARG 419.A NH2 GLU 621.A OE2 no hydrogen 3.390 N/A LYS 422.A N HIS 586.A O no hydrogen 2.826 N/A LYS 422.A NZ VAL 585.A O no hydrogen 2.631 N/A GLU 423.A N ASP 587.A O no hydrogen 3.148 N/A LEU 425.A N GLY 421.A O no hydrogen 3.168 N/A LYS 426.A N LYS 422.A O no hydrogen 2.902 N/A LYS 427.A N GLU 423.A O no hydrogen 3.127 N/A LYS 428.A N PHE 424.A O no hydrogen 3.112 N/A LYS 428.A NZ LEU 620.A O no hydrogen 2.751 N/A GLN 429.A N LYS 426.A O no hydrogen 2.922 N/A LEU 430.A N LEU 425.A O no hydrogen 3.027 N/A SER 431.A N SER 505.A OG no hydrogen 2.828 N/A ALA 434.A N SER 431.A OG no hydrogen 3.259 N/A VAL 435.A N SER 431.A O no hydrogen 3.044 N/A ALA 436.A N PRO 432.A O no hydrogen 3.041 N/A GLN 437.A N ASP 433.A O no hydrogen 3.015 N/A GLN 437.A NE2 THR 558.A OG1 no hydrogen 2.848 N/A GLN 437.A NE2 TYR 583.A OH no hydrogen 3.007 N/A LEU 438.A N ALA 434.A O no hydrogen 2.757 N/A ALA 439.A N VAL 435.A O no hydrogen 2.965 N/A PHE 440.A N ALA 436.A O no hydrogen 3.005 N/A GLN 441.A N GLN 437.A O no hydrogen 3.137 N/A GLN 441.A NE2 THR 454.A OG1 no hydrogen 2.815 N/A MET 442.A N LEU 438.A O no hydrogen 2.820 N/A ALA 443.A N ALA 439.A O no hydrogen 2.820 N/A PHE 444.A N PHE 440.A O no hydrogen 3.080 N/A LEU 445.A N GLN 441.A O no hydrogen 3.083 N/A ARG 446.A N MET 442.A O no hydrogen 2.997 N/A GLN 447.A N ALA 443.A O no hydrogen 2.859 N/A GLN 447.A NE2 ASN 601.A O no hydrogen 3.188 N/A TYR 448.A N PHE 444.A O no hydrogen 2.781 N/A GLY 449.A N LEU 445.A O no hydrogen 2.752 N/A THR 454.A OG1 VAL 452.A O no hydrogen 2.975 N/A TYR 455.A N LEU 556.A O no hydrogen 2.910 N/A GLU 456.A N ILE 471.A O no hydrogen 2.901 N/A CYS 458.A N GLU 469.A O no hydrogen 3.019 N/A CYS 458.A SG SER 459.A O no hydrogen 3.861 N/A CYS 458.A SG THR 512.A O no hydrogen 4.044 N/A THR 460.A N ARG 467.A O no hydrogen 2.963 N/A ALA 461.A N SER 459.A OG no hydrogen 2.975 N/A PHE 463.A N THR 460.A O no hydrogen 3.249 N/A LYS 464.A N PRO 19.A O no hydrogen 2.846 N/A LYS 464.A NZ GLN 15.A O no hydrogen 3.181 N/A HIS 465.A N ASP 182.A OD1 no hydrogen 2.699 N/A HIS 465.A ND1 THR 78.A OG1 no hydrogen 2.804 N/A GLY 466.A N PHE 463.A O no hydrogen 3.036 N/A ARG 467.A N THR 460.A OG1 no hydrogen 3.249 N/A ARG 467.A NE ASP 345.A OD1 no hydrogen 3.323 N/A ARG 467.A NE ASP 345.A OD2 no hydrogen 2.691 N/A ARG 467.A NH1 SER 342.A O no hydrogen 3.328 N/A ARG 467.A NH2 HIS 341.A O no hydrogen 3.528 N/A ARG 467.A NH2 ASP 345.A OD1 no hydrogen 2.810 N/A GLU 469.A N CYS 458.A O no hydrogen 2.690 N/A THR 470.A N GLU 469.A OE2 no hydrogen 2.980 N/A ILE 471.A N GLU 456.A O no hydrogen 2.825 N/A ARG 472.A NE ASP 522.A OD2 no hydrogen 2.770 N/A ARG 472.A NH1 THR 454.A O no hydrogen 3.109 N/A ARG 472.A NH1 MET 551.A O no hydrogen 3.141 N/A ARG 472.A NH1 ASN 554.A OD1 no hydrogen 2.955 N/A ARG 472.A NH2 ASP 522.A OD1 no hydrogen 2.758 N/A ARG 472.A NH2 ASP 522.A OD2 no hydrogen 3.480 N/A ARG 472.A NH2 MET 551.A O no hydrogen 3.098 N/A SER 475.A N THR 478.A OG1 no hydrogen 2.853 N/A THR 478.A N SER 475.A OG no hydrogen 3.028 N/A THR 478.A OG1 SER 475.A O no hydrogen 2.868 N/A LYS 479.A N SER 475.A O no hydrogen 2.988 N/A LYS 479.A NZ PRO 39.A O no hydrogen 2.845 N/A ARG 480.A N ILE 476.A O no hydrogen 2.929 N/A CYS 481.A N PHE 477.A O no hydrogen 2.883 N/A SER 482.A N THR 478.A O no hydrogen 2.897 N/A SER 482.A OG THR 478.A O no hydrogen 2.708 N/A GLU 483.A N LYS 479.A O no hydrogen 3.040 N/A ALA 484.A N ARG 480.A O no hydrogen 2.969 N/A PHE 485.A N CYS 481.A O no hydrogen 3.103 N/A VAL 486.A N SER 482.A O no hydrogen 2.807 N/A ARG 487.A N GLU 483.A O no hydrogen 2.763 N/A ARG 487.A NH2 GLY 449.A O no hydrogen 3.467 N/A ASP 488.A N GLU 483.A O no hydrogen 3.184 N/A LYS 491.A N ASP 488.A O no hydrogen 3.044 N/A SER 493.A N GLU 496.A OE1 no hydrogen 3.450 N/A LEU 497.A N SER 493.A O no hydrogen 3.069 N/A GLN 498.A N VAL 494.A O no hydrogen 2.903 N/A GLN 498.A NE2 ALA 619.A O no hydrogen 2.728 N/A HIS 499.A N GLY 495.A O no hydrogen 3.117 N/A MET 500.A N GLU 496.A O no hydrogen 2.878 N/A MET 501.A N LEU 497.A O no hydrogen 2.945 N/A ALA 502.A N GLN 498.A O no hydrogen 2.927 N/A GLU 503.A N HIS 499.A O no hydrogen 2.945 N/A GLU 503.A N MET 500.A O no hydrogen 3.086 N/A CYS 504.A N MET 500.A O no hydrogen 3.090 N/A CYS 504.A SG MET 500.A O no hydrogen 3.631 N/A SER 505.A N MET 501.A O no hydrogen 3.014 N/A LYS 506.A N ALA 502.A O no hydrogen 3.109 N/A TYR 507.A N GLU 503.A O no hydrogen 3.221 N/A HIS 508.A N CYS 504.A O no hydrogen 2.851 N/A HIS 508.A NE2 ASP 433.A OD2 no hydrogen 3.102 N/A GLY 509.A N SER 505.A O no hydrogen 2.846 N/A GLN 510.A N LYS 506.A O no hydrogen 2.918 N/A GLN 510.A NE2 GLU 514.A OE2 no hydrogen 2.963 N/A LEU 511.A N TYR 507.A O no hydrogen 2.882 N/A THR 512.A N HIS 508.A O no hydrogen 2.830 N/A THR 512.A OG1 HIS 508.A O no hydrogen 2.808 N/A LYS 513.A N GLY 509.A O no hydrogen 3.053 N/A GLU 514.A N GLN 510.A O no hydrogen 2.959 N/A ALA 515.A N LEU 511.A O no hydrogen 2.913 N/A ALA 516.A N THR 512.A O no hydrogen 3.002 N/A MET 517.A N LYS 513.A O no hydrogen 3.077 N/A GLY 518.A N ALA 515.A O no hydrogen 3.028 N/A GLN 519.A N GLU 514.A O no hydrogen 2.651 N/A ARG 523.A N GLU 469.A OE2 no hydrogen 3.198 N/A ARG 523.A NH1 THR 470.A OG1 no hydrogen 2.765 N/A ARG 523.A NH2 TYR 455.A OH no hydrogen 2.855 N/A ARG 523.A NH2 THR 468.A OG1 no hydrogen 2.858 N/A HIS 524.A ND1 THR 29.A OG1 no hydrogen 2.709 N/A HIS 524.A NE2 HIS 65.A ND1 no hydrogen 3.091 N/A LEU 525.A N PHE 521.A O no hydrogen 3.078 N/A TYR 526.A N ASP 522.A O no hydrogen 2.989 N/A TYR 526.A OH PRO 84.A O no hydrogen 2.845 N/A ALA 527.A N ARG 523.A O no hydrogen 2.794 N/A LEU 528.A N HIS 524.A O no hydrogen 3.114 N/A ARG 529.A N LEU 525.A O no hydrogen 3.144 N/A TYR 530.A N TYR 526.A O no hydrogen 2.872 N/A TYR 530.A OH ASP 87.A OD2 no hydrogen 2.499 N/A LEU 531.A N ALA 527.A O no hydrogen 2.935 N/A ALA 532.A N LEU 528.A O no hydrogen 3.067 N/A THR 533.A N ARG 529.A O no hydrogen 3.060 N/A THR 533.A OG1 ARG 529.A O no hydrogen 3.313 N/A ALA 534.A N TYR 530.A O no hydrogen 2.857 N/A ARG 535.A N LEU 531.A O no hydrogen 2.887 N/A GLY 536.A N THR 533.A O no hydrogen 3.044 N/A LEU 537.A N ALA 532.A O no hydrogen 2.907 N/A TYR 543.A N PRO 540.A O no hydrogen 3.076 N/A TYR 543.A OH LEU 525.A O no hydrogen 2.616 N/A LEU 544.A N GLU 541.A O no hydrogen 2.936 N/A ASP 545.A N GLU 541.A O no hydrogen 3.173 N/A ALA 547.A N ASP 545.A OD1 no hydrogen 3.082 N/A TYR 548.A N ASP 545.A O no hydrogen 2.957 N/A GLN 549.A N ASP 545.A O no hydrogen 3.126 N/A GLN 550.A N PRO 546.A O no hydrogen 2.653 N/A MET 551.A N ALA 547.A O no hydrogen 2.999 N/A ASN 552.A N TYR 548.A O no hydrogen 3.237 N/A ASN 552.A N GLN 549.A O no hydrogen 3.174 N/A HIS 553.A N GLN 550.A O no hydrogen 3.312 N/A LEU 556.A N ALA 453.A O no hydrogen 3.191 N/A SER 557.A N PHE 579.A O no hydrogen 3.303 N/A THR 558.A N TYR 455.A O no hydrogen 2.824 N/A THR 558.A OG1 TYR 455.A O no hydrogen 2.694 N/A SER 559.A N ILE 581.A O no hydrogen 2.992 N/A THR 560.A OG1 TYR 583.A O no hydrogen 2.544 N/A SER 563.A OG ASN 354.A OD1 no hydrogen 2.504 N/A ALA 565.A N SER 563.A OG no hydrogen 2.864 N/A VAL 566.A N SER 563.A O no hydrogen 3.178 N/A SER 567.A N ALA 105.A O no hydrogen 2.852 N/A SER 567.A OG ALA 105.A O no hydrogen 3.193 N/A SER 567.A OG PHE 106.A O no hydrogen 3.196 N/A GLY 570.A N PHE 103.A O no hydrogen 3.179 N/A GLY 578.A N VAL 575.A O no hydrogen 3.074 N/A PHE 579.A N ILE 555.A O no hydrogen 2.711 N/A GLY 580.A N SER 595.A O no hydrogen 3.062 N/A ILE 581.A N SER 557.A O no hydrogen 2.755 N/A ALA 582.A N ASN 593.A O no hydrogen 3.001 N/A TYR 583.A N SER 559.A O no hydrogen 3.202 N/A TYR 583.A OH ASP 433.A OD1 no hydrogen 2.545 N/A ALA 584.A N GLY 591.A O no hydrogen 2.740 N/A HIS 586.A N TRP 589.A O no hydrogen 2.769 N/A ILE 590.A N PHE 417.A O no hydrogen 2.819 N/A GLY 591.A N ALA 584.A O no hydrogen 2.873 N/A CYS 592.A N ILE 415.A O no hydrogen 3.291 N/A ASN 593.A N ALA 582.A O no hydrogen 2.728 N/A ASN 593.A ND2 SER 308.A OG no hydrogen 3.100 N/A ASN 593.A ND2 GLY 569.A O no hydrogen 2.952 N/A VAL 594.A N ASP 413.A O no hydrogen 2.866 N/A SER 595.A N GLY 580.A O no hydrogen 2.962 N/A SER 595.A OG PHE 571.A O no hydrogen 2.681 N/A SER 595.A OG GLY 580.A O no hydrogen 3.507 N/A SER 596.A N SER 411.A O no hydrogen 2.835 N/A ARG 600.A NE ASP 577.A O no hydrogen 2.465 N/A ARG 600.A NH2 ASP 577.A O no hydrogen 3.393 N/A ARG 600.A NH2 ASP 577.A OD2 no hydrogen 3.426 N/A ASN 601.A N TYR 448.A OH no hydrogen 3.324 N/A GLU 604.A N ASN 601.A OD1 no hydrogen 2.879 N/A PHE 605.A N ASN 601.A O no hydrogen 3.142 N/A LEU 606.A N ALA 602.A O no hydrogen 3.094 N/A HIS 607.A N ARG 603.A O no hydrogen 3.015 N/A CYS 608.A N GLU 604.A O no hydrogen 2.888 N/A CYS 608.A SG GLU 604.A O no hydrogen 3.486 N/A CYS 608.A SG GLU 604.A OE2 no hydrogen 3.473 N/A VAL 609.A N PHE 605.A O no hydrogen 2.741 N/A GLN 610.A N LEU 606.A O no hydrogen 2.842 N/A GLN 610.A NE2 GLU 614.A OE2 no hydrogen 2.726 N/A LYS 611.A N HIS 607.A O no hydrogen 3.008 N/A CYS 612.A N CYS 608.A O no hydrogen 2.900 N/A CYS 612.A SG CYS 608.A O no hydrogen 3.167 N/A LEU 613.A N VAL 609.A O no hydrogen 2.910 N/A GLU 614.A N GLN 610.A O no hydrogen 2.963 N/A ASP 615.A N LYS 611.A O no hydrogen 2.880 N/A ILE 616.A N CYS 612.A O no hydrogen 2.810 N/A PHE 617.A N LEU 613.A O no hydrogen 2.958 N/A ASP 618.A N GLU 614.A O no hydrogen 2.901 N/A ALA 619.A N ASP 615.A O no hydrogen 3.014 N/A LEU 620.A N ILE 616.A O no hydrogen 2.980 N/A GLU 621.A N PHE 617.A O no hydrogen 2.837 N/A GLU 621.A N ASP 618.A O no hydrogen 3.035 N/A GLY 622.A N ALA 619.A O no hydrogen 3.192 N/A LYS 623.A N ASP 618.A O no hydrogen 2.932 N/A LYS 623.A NZ GLU 621.A OE1 no hydrogen 3.025 N/A