Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1e1c_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG ASP 7.A OD1 no hydrogen 2.640 N/A ASP 7.A N LEU 4.A O no hydrogen 3.303 N/A PHE 8.A N ALA 5.A O no hydrogen 3.060 N/A THR 12.A N GLN 15.A OE1 no hydrogen 3.379 N/A TRP 16.A N THR 12.A O no hydrogen 3.197 N/A GLU 17.A N GLU 13.A O no hydrogen 2.721 N/A ARG 18.A N GLU 14.A O no hydrogen 2.691 N/A GLU 19.A N GLN 15.A O no hydrogen 2.921 N/A VAL 20.A N TRP 16.A O no hydrogen 2.748 N/A GLU 21.A N GLU 17.A O no hydrogen 2.894 N/A LYS 22.A N ARG 18.A O no hydrogen 3.107 N/A LYS 22.A NZ GLU 19.A OE2 no hydrogen 2.745 N/A VAL 23.A N GLU 19.A O no hydrogen 3.368 N/A LEU 24.A N VAL 20.A O no hydrogen 2.956 N/A ASN 25.A N GLU 21.A O no hydrogen 2.859 N/A ASN 25.A ND2 LEU 34.A O no hydrogen 3.239 N/A ARG 28.A N ASN 25.A O no hydrogen 3.202 N/A ARG 28.A NE LYS 32.A O no hydrogen 3.052 N/A LYS 32.A N PRO 29.A O no hydrogen 2.779 N/A GLN 33.A NE2 PRO 29.A O no hydrogen 3.439 N/A LEU 34.A N ASN 25.A OD1 no hydrogen 2.749 N/A THR 35.A N GLU 38.A OE2 no hydrogen 2.763 N/A THR 35.A OG1 GLU 38.A OE2 no hydrogen 3.237 N/A GLU 38.A N THR 35.A O no hydrogen 3.183 N/A CYS 39.A N THR 35.A O no hydrogen 3.022 N/A CYS 39.A SG THR 35.A O no hydrogen 3.402 N/A LEU 40.A N PHE 36.A O no hydrogen 2.753 N/A LYS 41.A N ALA 37.A O no hydrogen 3.134 N/A ARG 42.A N GLU 38.A O no hydrogen 3.069 N/A LEU 43.A N CYS 39.A O no hydrogen 2.733 N/A THR 44.A N LYS 41.A O no hydrogen 3.443 N/A THR 44.A OG1 LEU 40.A O no hydrogen 3.090 N/A VAL 45.A N ILE 53.A O no hydrogen 2.706 N/A HIS 46.A ND1 ASP 52.A OD1 no hydrogen 2.720 N/A THR 47.A N ILE 51.A O no hydrogen 2.920 N/A THR 47.A OG1 ASP 49.A OD1 no hydrogen 2.692 N/A GLY 50.A N THR 47.A O no hydrogen 3.217 N/A ILE 51.A N THR 47.A OG1 no hydrogen 2.630 N/A ILE 53.A N VAL 45.A O no hydrogen 2.863 N/A VAL 54.A N TYR 57.A OH no hydrogen 3.104 N/A ARG 58.A N ASP 61.A OD2 no hydrogen 3.007 N/A ARG 58.A NH1 GLU 13.A OE1 no hydrogen 2.801 N/A ASP 61.A N ARG 58.A O no hydrogen 2.906 N/A ALA 62.A N PRO 59.A O no hydrogen 3.173 N/A GLY 70.A N GLY 77.A O no hydrogen 2.641 N/A PHE 74.A N VAL 71.A O no hydrogen 2.912 N/A ARG 76.A NE ASP 378.A OD2 no hydrogen 2.762 N/A ARG 76.A NH1 GLY 67.A O no hydrogen 3.014 N/A GLY 77.A N PHE 74.A O no hydrogen 3.160 N/A THR 78.A OG1 ALA 301.A O no hydrogen 2.652 N/A THR 79.A N GLU 337.A OE2 no hydrogen 3.384 N/A THR 79.A OG1 GLU 337.A OE2 no hydrogen 2.690 N/A ARG 81.A N ASN 377.A OD1 no hydrogen 2.783 N/A ARG 81.A NH1 SER 332.A O no hydrogen 3.495 N/A ARG 81.A NH1 VAL 376.A O no hydrogen 3.097 N/A ARG 81.A NH2 SER 332.A O no hydrogen 3.099 N/A ASN 82.A ND2 ASP 84.A OD2 no hydrogen 3.098 N/A ASP 84.A N ASN 82.A OD1 no hydrogen 2.699 N/A ALA 87.A N MET 85.A O no hydrogen 3.040 N/A VAL 90.A N THR 115.A OG1 no hydrogen 2.850 N/A ARG 91.A N ILE 339.A O no hydrogen 3.196 N/A ARG 91.A NE SER 116.A OG no hydrogen 2.658 N/A ARG 91.A NH1 GLU 146.A OE1 no hydrogen 3.176 N/A ALA 92.A N SER 116.A O no hydrogen 3.331 N/A HIS 94.A N LEU 118.A O no hydrogen 3.018 N/A ASP 98.A N ASP 96.A OD1 no hydrogen 2.939 N/A PHE 101.A N ASP 98.A OD1 no hydrogen 2.756 N/A THR 102.A N ASP 98.A O no hydrogen 2.939 N/A THR 102.A OG1 ASP 96.A O no hydrogen 2.550 N/A THR 102.A OG1 ASP 98.A O no hydrogen 3.198 N/A ARG 103.A N GLU 99.A O no hydrogen 3.377 N/A ARG 103.A NE ASP 137.A OD1 no hydrogen 2.698 N/A ARG 103.A NH1 GLU 133.A OE2 no hydrogen 3.407 N/A ARG 103.A NH2 ASP 137.A OD1 no hydrogen 3.563 N/A ARG 103.A NH2 ASP 137.A OD2 no hydrogen 3.491 N/A LYS 104.A N LYS 100.A O no hydrogen 3.144 N/A ALA 105.A N PHE 101.A O no hydrogen 2.879 N/A ILE 106.A N THR 102.A O no hydrogen 2.824 N/A LEU 107.A N ARG 103.A O no hydrogen 3.267 N/A GLU 108.A N LYS 104.A O no hydrogen 2.911 N/A GLY 109.A N ALA 105.A O no hydrogen 3.004 N/A LEU 110.A N ILE 106.A O no hydrogen 2.817 N/A GLU 111.A N LEU 107.A O no hydrogen 2.737 N/A ARG 112.A N GLY 109.A O no hydrogen 3.096 N/A VAL 114.A N GLY 109.A O no hydrogen 3.015 N/A THR 115.A N VAL 90.A O no hydrogen 2.899 N/A THR 115.A OG1 ASP 89.A OD1 no hydrogen 2.868 N/A THR 115.A OG1 VAL 90.A O no hydrogen 3.090 N/A SER 116.A N VAL 90.A O no hydrogen 3.055 N/A SER 116.A OG ASP 89.A OD1 no hydrogen 2.657 N/A LEU 117.A N LYS 144.A O no hydrogen 3.255 N/A LEU 118.A N ALA 92.A O no hydrogen 2.967 N/A LEU 119.A N GLU 146.A O no hydrogen 3.004 N/A ARG 120.A N HIS 94.A O no hydrogen 2.934 N/A ARG 120.A NE GLU 95.A OE2 no hydrogen 2.997 N/A ARG 120.A NH1 ASP 122.A OD2 no hydrogen 3.096 N/A ARG 120.A NH1 ASP 124.A OD1 no hydrogen 2.706 N/A ARG 120.A NH1 ASP 124.A OD2 no hydrogen 3.130 N/A ARG 120.A NH2 ASP 124.A OD2 no hydrogen 3.489 N/A VAL 121.A N PHE 148.A O no hydrogen 2.826 N/A ASP 122.A N ILE 126.A O no hydrogen 2.734 N/A ALA 125.A N ASP 122.A O no hydrogen 3.199 N/A ILE 126.A N ARG 120.A O no hydrogen 2.947 N/A GLU 129.A N GLU 129.A OE1 no hydrogen 3.204 N/A HIS 130.A N ALA 127.A O no hydrogen 2.797 N/A LEU 131.A N PRO 128.A O no hydrogen 3.412 N/A VAL 134.A N HIS 130.A O no hydrogen 2.925 N/A LEU 135.A N LEU 131.A O no hydrogen 3.117 N/A SER 136.A N GLU 133.A O no hydrogen 3.391 N/A VAL 138.A N LEU 135.A O no hydrogen 2.723 N/A GLU 141.A N GLU 141.A OE1 no hydrogen 3.228 N/A MET 142.A N LEU 139.A O no hydrogen 3.195 N/A LYS 144.A NZ ASN 177.A OD1 no hydrogen 2.682 N/A LYS 144.A NZ ASP 211.A O no hydrogen 2.783 N/A GLU 146.A N LEU 117.A O no hydrogen 2.806 N/A VAL 147.A N ASN 177.A O no hydrogen 3.178 N/A PHE 148.A N LEU 119.A O no hydrogen 3.020 N/A SER 149.A OG VAL 121.A O no hydrogen 3.223 N/A SER 149.A OG ASP 122.A OD1 no hydrogen 2.528 N/A ARG 150.A N ASP 122.A OD2 no hydrogen 2.648 N/A TYR 151.A N ASP 122.A OD1 no hydrogen 3.131 N/A TYR 151.A N SER 149.A OG no hydrogen 3.246 N/A TYR 151.A OH PRO 464.A O no hydrogen 2.671 N/A ASP 152.A N SER 149.A OG no hydrogen 2.860 N/A GLN 153.A NE2 SER 149.A O no hydrogen 3.168 N/A GLN 153.A NE2 ASP 181.A O no hydrogen 3.625 N/A ALA 155.A N ASP 152.A OD1 no hydrogen 3.343 N/A ALA 156.A N ASP 152.A O no hydrogen 2.999 N/A ALA 157.A N GLN 153.A O no hydrogen 2.645 N/A GLU 158.A N GLY 154.A O no hydrogen 2.804 N/A ALA 159.A N ALA 155.A O no hydrogen 3.083 N/A LEU 160.A N ALA 156.A O no hydrogen 2.967 N/A VAL 161.A N ALA 157.A O no hydrogen 3.028 N/A SER 162.A N GLU 158.A O no hydrogen 2.960 N/A SER 162.A OG GLU 158.A O no hydrogen 2.782 N/A SER 162.A OG ALA 159.A O no hydrogen 3.477 N/A VAL 163.A N ALA 159.A O no hydrogen 3.402 N/A TYR 164.A N LEU 160.A O no hydrogen 3.406 N/A TYR 164.A OH ALA 175.A O no hydrogen 3.149 N/A GLU 165.A N VAL 161.A O no hydrogen 2.642 N/A ARG 166.A N SER 162.A O no hydrogen 2.605 N/A SER 167.A N TYR 164.A O no hydrogen 3.362 N/A SER 167.A OG LYS 169.A O no hydrogen 3.209 N/A LYS 169.A N SER 167.A OG no hydrogen 2.898 N/A LYS 172.A NZ PHE 208.A O no hydrogen 2.869 N/A ASP 173.A N PRO 170.A O no hydrogen 2.823 N/A LEU 174.A N ALA 171.A O no hydrogen 3.104 N/A LEU 176.A N SER 212.A OG no hydrogen 2.912 N/A ASN 177.A N VAL 145.A O no hydrogen 3.156 N/A ASN 177.A ND2 GLU 146.A OE2 no hydrogen 3.168 N/A LEU 178.A N ARG 213.A O no hydrogen 3.122 N/A LEU 180.A N ALA 214.A O no hydrogen 3.033 N/A ASP 181.A N GLN 153.A OE1 no hydrogen 3.107 N/A ILE 183.A N TYR 243.A OH no hydrogen 3.067 N/A GLY 184.A N ASP 181.A OD1 no hydrogen 3.000 N/A PHE 185.A N ASP 181.A O no hydrogen 2.830 N/A ALA 186.A N PRO 182.A O no hydrogen 2.828 N/A ALA 187.A N ILE 183.A O no hydrogen 2.883 N/A LEU 188.A N GLY 184.A O no hydrogen 2.997 N/A GLN 189.A N PHE 185.A O no hydrogen 2.791 N/A GLN 189.A NE2 ARG 150.A O no hydrogen 2.827 N/A GLY 190.A N ALA 186.A O no hydrogen 2.676 N/A THR 191.A OG1 GLU 192.A O no hydrogen 3.431 N/A THR 196.A N ASP 194.A OD1 no hydrogen 3.306 N/A THR 196.A OG1 ASP 194.A OD1 no hydrogen 3.196 N/A GLY 199.A N GLN 250.A OE1 no hydrogen 3.009 N/A TRP 201.A N VAL 197.A O no hydrogen 3.010 N/A VAL 202.A N LEU 198.A O no hydrogen 2.743 N/A ARG 203.A N GLY 199.A O no hydrogen 3.051 N/A ARG 203.A NH1 GLN 250.A O no hydrogen 3.389 N/A ARG 204.A N ASP 200.A O no hydrogen 2.809 N/A ARG 204.A NE GLU 165.A OE2 no hydrogen 2.613 N/A ARG 204.A NH1 GLU 158.A OE1 no hydrogen 3.163 N/A ARG 204.A NH2 GLU 158.A OE2 no hydrogen 2.618 N/A ARG 204.A NH2 GLU 165.A OE1 no hydrogen 2.863 N/A ARG 204.A NH2 GLU 165.A OE2 no hydrogen 3.180 N/A LEU 205.A N TRP 201.A O no hydrogen 3.142 N/A LEU 205.A N VAL 202.A O no hydrogen 3.289 N/A ALA 206.A N ARG 203.A O no hydrogen 3.237 N/A LYS 207.A NZ GLU 165.A OE2 no hydrogen 2.674 N/A LYS 207.A NZ ARG 204.A O no hydrogen 2.864 N/A PHE 208.A N LEU 205.A O no hydrogen 3.239 N/A SER 209.A N LEU 174.A O no hydrogen 2.900 N/A SER 212.A N SER 209.A O no hydrogen 3.080 N/A SER 212.A OG SER 209.A O no hydrogen 3.033 N/A ARG 213.A N LEU 176.A O no hydrogen 3.062 N/A ARG 213.A NH1 ASP 259.A O no hydrogen 3.006 N/A ALA 214.A N THR 260.A O no hydrogen 3.134 N/A ALA 214.A N THR 260.A OG1 no hydrogen 2.962 N/A VAL 215.A N THR 260.A O no hydrogen 3.005 N/A THR 216.A N LEU 180.A O no hydrogen 3.057 N/A THR 216.A OG1 GLU 146.A OE2 no hydrogen 2.699 N/A ILE 217.A N ASN 262.A O no hydrogen 2.970 N/A ASP 218.A N ASP 181.A OD2 no hydrogen 2.901 N/A ALA 219.A N ARG 264.A O no hydrogen 3.055 N/A ASN 220.A ND2 ASN 224.A OD1 no hydrogen 3.680 N/A ASN 220.A ND2 THR 266.A OG1 no hydrogen 2.798 N/A ILE 221.A N ASP 218.A OD1 no hydrogen 3.327 N/A TYR 222.A N ALA 219.A O no hydrogen 3.016 N/A HIS 223.A NE2 SER 308.A OG no hydrogen 2.663 N/A ASN 224.A N ASN 220.A O no hydrogen 2.740 N/A GLY 226.A N HIS 223.A O no hydrogen 3.073 N/A ALA 227.A N TYR 222.A O no hydrogen 2.749 N/A VAL 230.A N ASP 49.A OD2 no hydrogen 2.879 N/A LEU 233.A N ASP 229.A O no hydrogen 3.184 N/A ALA 234.A N VAL 230.A O no hydrogen 2.999 N/A TRP 235.A N ALA 231.A O no hydrogen 2.960 N/A TRP 235.A NE1 GLU 400.A OE2 no hydrogen 2.549 N/A ALA 236.A N GLU 232.A O no hydrogen 2.944 N/A LEU 237.A N LEU 233.A O no hydrogen 3.078 N/A ALA 238.A N ALA 234.A O no hydrogen 2.794 N/A THR 239.A N TRP 235.A O no hydrogen 3.126 N/A THR 239.A OG1 TRP 235.A O no hydrogen 3.238 N/A GLY 240.A N ALA 236.A O no hydrogen 3.148 N/A ALA 241.A N LEU 237.A O no hydrogen 2.896 N/A GLU 242.A N ALA 238.A O no hydrogen 3.375 N/A TYR 243.A N THR 239.A O no hydrogen 2.996 N/A TYR 243.A OH ASP 181.A OD1 no hydrogen 2.691 N/A VAL 244.A N GLY 240.A O no hydrogen 3.128 N/A ARG 245.A N ALA 241.A O no hydrogen 3.072 N/A ARG 245.A NH1 GLU 405.A OE1 no hydrogen 3.427 N/A ARG 245.A NH1 GLU 405.A OE2 no hydrogen 2.613 N/A ARG 245.A NH2 GLU 242.A OE1 no hydrogen 2.700 N/A ARG 245.A NH2 GLU 405.A OE1 no hydrogen 2.729 N/A ARG 245.A NH2 GLU 405.A OE2 no hydrogen 3.495 N/A ALA 246.A N GLU 242.A O no hydrogen 3.135 N/A LEU 247.A N TYR 243.A O no hydrogen 3.157 N/A VAL 248.A N VAL 244.A O no hydrogen 3.054 N/A GLU 249.A N ARG 245.A O no hydrogen 2.936 N/A GLN 250.A N ALA 246.A O no hydrogen 2.851 N/A GLN 250.A NE2 LEU 195.A O no hydrogen 3.010 N/A GLY 251.A N VAL 248.A O no hydrogen 3.123 N/A GLY 251.A N GLU 249.A O no hydrogen 2.898 N/A PHE 252.A N LEU 247.A O no hydrogen 2.899 N/A THR 253.A N GLU 256.A OE1 no hydrogen 2.692 N/A THR 253.A OG1 GLU 256.A OE1 no hydrogen 3.203 N/A THR 255.A OG1 ASP 295.A OD1 no hydrogen 3.003 N/A ALA 257.A N THR 253.A O no hydrogen 3.322 N/A PHE 258.A N ALA 254.A O no hydrogen 3.282 N/A ASP 259.A N THR 255.A O no hydrogen 3.109 N/A THR 260.A N ALA 257.A O no hydrogen 2.739 N/A ILE 261.A N PHE 258.A O no hydrogen 3.318 N/A ASN 262.A N VAL 215.A O no hydrogen 2.907 N/A PHE 263.A N ARG 302.A O no hydrogen 2.984 N/A ARG 264.A N ILE 217.A O no hydrogen 3.192 N/A ARG 264.A NE ASP 218.A OD2 no hydrogen 2.879 N/A ARG 264.A NH2 ASP 218.A OD2 no hydrogen 2.843 N/A VAL 265.A N ASN 304.A O no hydrogen 3.084 N/A THR 266.A N GLU 232.A OE2 no hydrogen 2.944 N/A THR 266.A OG1 GLU 232.A OE1 no hydrogen 2.596 N/A THR 266.A OG1 GLU 232.A OE2 no hydrogen 3.292 N/A ALA 267.A N ILE 306.A O no hydrogen 2.711 N/A THR 268.A N THR 274.A OG1 no hydrogen 2.873 N/A THR 268.A OG1 ASP 270.A O no hydrogen 3.318 N/A THR 268.A OG1 THR 274.A OG1 no hydrogen 3.028 N/A HIS 269.A N GLU 311.A OE1 no hydrogen 2.720 N/A ASP 270.A N THR 268.A OG1 no hydrogen 2.871 N/A LEU 273.A N ASP 270.A OD1 no hydrogen 3.197 N/A THR 274.A N ASP 270.A O no hydrogen 3.203 N/A THR 274.A OG1 THR 268.A O no hydrogen 3.564 N/A THR 274.A OG1 THR 268.A OG1 no hydrogen 3.028 N/A THR 274.A OG1 ASP 270.A O no hydrogen 2.979 N/A ILE 275.A N GLN 271.A O no hydrogen 3.123 N/A ALA 276.A N PHE 272.A O no hydrogen 2.875 N/A ARG 277.A N LEU 273.A O no hydrogen 2.815 N/A ARG 277.A NE ASP 229.A OD1 no hydrogen 3.137 N/A ARG 277.A NH1 THR 266.A O no hydrogen 2.679 N/A ARG 277.A NH2 THR 266.A O no hydrogen 2.732 N/A LEU 278.A N THR 274.A O no hydrogen 3.121 N/A ARG 279.A N ILE 275.A O no hydrogen 3.266 N/A ARG 279.A NE ASP 378.A OD1 no hydrogen 3.047 N/A ARG 279.A NH1 GLU 387.A OE1 no hydrogen 2.729 N/A ARG 279.A NH1 THR 390.A OG1 no hydrogen 2.725 N/A ARG 279.A NH2 ASP 378.A OD2 no hydrogen 3.207 N/A ARG 279.A NH2 GLU 387.A OE1 no hydrogen 2.774 N/A ALA 280.A N ALA 276.A O no hydrogen 2.967 N/A LEU 281.A N ARG 277.A O no hydrogen 3.225 N/A ARG 282.A NE PHE 74.A O no hydrogen 2.904 N/A ARG 282.A NE THR 75.A O no hydrogen 3.255 N/A ARG 282.A NH1 GLY 334.A O no hydrogen 2.833 N/A ARG 282.A NH2 THR 75.A O no hydrogen 2.640 N/A ARG 282.A NH2 GLY 334.A O no hydrogen 3.136 N/A GLU 283.A N ARG 279.A O no hydrogen 3.075 N/A ALA 284.A N ALA 280.A O no hydrogen 2.984 N/A TRP 285.A N LEU 281.A O no hydrogen 3.120 N/A ALA 286.A N ARG 282.A O no hydrogen 3.102 N/A ARG 287.A NH1 GLU 290.A OE1 no hydrogen 3.160 N/A ILE 288.A N ALA 284.A O no hydrogen 2.918 N/A GLY 289.A N TRP 285.A O no hydrogen 2.998 N/A GLU 290.A N ARG 287.A O no hydrogen 3.298 N/A VAL 291.A N ARG 287.A O no hydrogen 2.984 N/A PHE 292.A N ILE 288.A O no hydrogen 3.031 N/A GLY 293.A N GLU 290.A O no hydrogen 3.273 N/A VAL 294.A N GLY 289.A O no hydrogen 2.688 N/A ASP 295.A N THR 255.A OG1 no hydrogen 2.933 N/A LYS 298.A N ASP 295.A O no hydrogen 2.927 N/A LYS 298.A NZ ASP 259.A OD2 no hydrogen 2.668 N/A ARG 299.A NE VAL 294.A O no hydrogen 2.917 N/A ARG 299.A NH2 VAL 294.A O no hydrogen 2.753 N/A ARG 302.A NE ASN 262.A OD1 no hydrogen 2.676 N/A ARG 302.A NH2 PHE 258.A O no hydrogen 3.063 N/A ARG 302.A NH2 ASN 262.A OD1 no hydrogen 3.311 N/A GLN 303.A N GLU 337.A OE1 no hydrogen 2.774 N/A GLN 303.A NE2 LEU 278.A O no hydrogen 3.302 N/A ASN 304.A N PHE 263.A O no hydrogen 3.009 N/A ALA 305.A N SER 338.A O no hydrogen 3.106 N/A ILE 306.A N VAL 265.A O no hydrogen 2.724 N/A THR 307.A N THR 340.A O no hydrogen 3.099 N/A SER 308.A N ALA 267.A O no hydrogen 2.863 N/A SER 308.A OG HIS 223.A NE2 no hydrogen 2.663 N/A ARG 310.A NE ASP 474.A OD1 no hydrogen 3.066 N/A ARG 310.A NH1 HIS 223.A O no hydrogen 2.763 N/A ARG 310.A NH1 ALA 227.A O no hydrogen 3.093 N/A GLU 311.A N SER 308.A OG no hydrogen 3.153 N/A LEU 312.A N TRP 309.A O no hydrogen 3.070 N/A THR 313.A N ASN 320.A OD1 no hydrogen 2.834 N/A THR 313.A OG1 GLU 315.A O no hydrogen 3.037 N/A THR 313.A OG1 ASN 320.A OD1 no hydrogen 3.524 N/A ARG 314.A N GLU 479.A OE2 no hydrogen 3.209 N/A ARG 314.A NE GLU 315.A OE1 no hydrogen 2.910 N/A ARG 314.A NE GLU 315.A OE2 no hydrogen 3.289 N/A ARG 314.A NH1 ASP 483.A OD1 no hydrogen 3.344 N/A ARG 314.A NH2 GLU 315.A OE2 no hydrogen 3.024 N/A ARG 314.A NH2 GLU 479.A O no hydrogen 2.984 N/A ARG 314.A NH2 ASP 483.A OD1 no hydrogen 3.252 N/A VAL 319.A N ASP 316.A O no hydrogen 3.141 N/A ASN 320.A N PRO 317.A O no hydrogen 2.807 N/A ASN 320.A ND2 THR 313.A O no hydrogen 3.366 N/A ASN 320.A ND2 PHE 344.A O no hydrogen 2.814 N/A ILE 321.A N TYR 318.A O no hydrogen 3.231 N/A LEU 322.A N VAL 319.A O no hydrogen 3.110 N/A ARG 323.A N VAL 319.A O no hydrogen 3.443 N/A ARG 323.A NH1 ASN 320.A OD1 no hydrogen 2.992 N/A ARG 323.A NH2 THR 442.A O no hydrogen 3.122 N/A GLY 324.A N ASN 320.A O no hydrogen 2.877 N/A SER 325.A N ILE 321.A O no hydrogen 3.039 N/A SER 325.A OG ILE 321.A O no hydrogen 2.602 N/A ILE 326.A N LEU 322.A O no hydrogen 3.017 N/A ALA 327.A N ARG 323.A O no hydrogen 3.048 N/A THR 328.A N GLY 324.A O no hydrogen 2.880 N/A THR 328.A OG1 GLY 324.A O no hydrogen 2.828 N/A THR 328.A OG1 THR 341.A OG1 no hydrogen 2.569 N/A PHE 329.A N SER 325.A O no hydrogen 3.155 N/A SER 330.A N ILE 326.A O no hydrogen 3.016 N/A SER 330.A OG GLN 271.A O no hydrogen 3.272 N/A SER 330.A OG ILE 326.A O no hydrogen 2.813 N/A ALA 331.A N ALA 327.A O no hydrogen 2.998 N/A SER 332.A N THR 328.A O no hydrogen 3.316 N/A VAL 333.A N PHE 329.A O no hydrogen 3.043 N/A GLY 334.A N SER 330.A O no hydrogen 2.884 N/A GLY 335.A N SER 332.A O no hydrogen 3.343 N/A ALA 336.A N ALA 331.A O no hydrogen 3.140 N/A GLU 337.A N GLN 303.A O no hydrogen 2.720 N/A SER 338.A N GLN 303.A O no hydrogen 3.427 N/A SER 338.A OG ASN 304.A OD1 no hydrogen 2.930 N/A ILE 339.A N ASP 89.A O no hydrogen 2.992 N/A THR 340.A N ALA 305.A O no hydrogen 2.772 N/A THR 340.A OG1 ARG 91.A O no hydrogen 2.651 N/A THR 341.A OG1 THR 328.A OG1 no hydrogen 2.569 N/A LEU 342.A N THR 307.A OG1 no hydrogen 2.792 N/A GLN 346.A N PRO 343.A O no hydrogen 3.392 N/A GLN 346.A NE2 GLU 95.A OE1 no hydrogen 2.891 N/A LEU 348.A N THR 345.A O no hydrogen 3.036 N/A GLY 349.A N THR 345.A O no hydrogen 3.277 N/A LEU 350.A N LYS 458.A O no hydrogen 2.657 N/A ARG 358.A N ASP 354.A O no hydrogen 2.723 N/A ILE 359.A N PHE 355.A O no hydrogen 2.988 N/A ALA 360.A N PRO 356.A O no hydrogen 3.395 N/A ARG 361.A N LEU 357.A O no hydrogen 3.084 N/A ARG 361.A NH1 ASP 354.A OD1 no hydrogen 2.959 N/A ARG 361.A NH1 ASP 354.A OD2 no hydrogen 3.515 N/A ARG 361.A NH2 ASP 354.A OD2 no hydrogen 2.971 N/A ASN 362.A N ARG 358.A O no hydrogen 2.915 N/A THR 363.A N ILE 359.A O no hydrogen 2.924 N/A THR 363.A OG1 ILE 359.A O no hydrogen 2.735 N/A THR 363.A OG1 ALA 360.A O no hydrogen 3.566 N/A ILE 365.A N ARG 361.A O no hydrogen 2.902 N/A VAL 366.A N ASN 362.A O no hydrogen 2.663 N/A LEU 367.A N THR 363.A O no hydrogen 2.920 N/A ALA 368.A N GLY 364.A O no hydrogen 2.965 N/A GLU 369.A N ILE 365.A O no hydrogen 3.098 N/A GLU 370.A N VAL 366.A O no hydrogen 2.960 N/A VAL 371.A N VAL 366.A O no hydrogen 3.159 N/A ASN 377.A ND2 ARG 81.A O no hydrogen 3.292 N/A GLY 381.A N ASP 378.A O no hydrogen 2.914 N/A GLY 382.A N GLU 387.A OE2 no hydrogen 2.787 N/A SER 383.A N ALA 380.A O no hydrogen 2.711 N/A VAL 386.A N SER 383.A OG no hydrogen 3.014 N/A GLU 387.A N SER 383.A O no hydrogen 2.751 N/A SER 388.A N TYR 384.A O no hydrogen 2.973 N/A LEU 389.A N TYR 385.A O no hydrogen 3.025 N/A THR 390.A N VAL 386.A O no hydrogen 2.999 N/A THR 390.A OG1 VAL 386.A O no hydrogen 2.939 N/A ARG 391.A N GLU 387.A O no hydrogen 3.278 N/A ARG 391.A NH1 ASP 395.A OD1 no hydrogen 3.181 N/A SER 392.A N SER 388.A O no hydrogen 3.055 N/A SER 392.A OG SER 388.A O no hydrogen 3.510 N/A LEU 393.A N LEU 389.A O no hydrogen 3.142 N/A ALA 394.A N THR 390.A O no hydrogen 3.031 N/A ASP 395.A N ARG 391.A O no hydrogen 3.183 N/A ALA 396.A N SER 392.A O no hydrogen 3.092 N/A ALA 397.A N LEU 393.A O no hydrogen 2.945 N/A TRP 398.A N ALA 394.A O no hydrogen 2.762 N/A LYS 399.A N ASP 395.A O no hydrogen 2.995 N/A GLU 400.A N ALA 396.A O no hydrogen 3.278 N/A PHE 401.A N ALA 397.A O no hydrogen 2.824 N/A GLN 402.A N TRP 398.A O no hydrogen 2.801 N/A GLU 403.A N LYS 399.A O no hydrogen 3.110 N/A VAL 404.A N GLU 400.A O no hydrogen 3.238 N/A GLU 405.A N PHE 401.A O no hydrogen 3.004 N/A LYS 406.A N GLN 402.A O no hydrogen 2.895 N/A LEU 407.A N GLU 403.A O no hydrogen 3.329 N/A GLY 408.A N GLU 405.A O no hydrogen 2.928 N/A GLY 409.A N VAL 404.A O no hydrogen 2.825 N/A SER 411.A N GLU 242.A OE2 no hydrogen 3.115 N/A SER 411.A OG GLU 242.A OE2 no hydrogen 3.105 N/A ALA 413.A N GLY 409.A O no hydrogen 3.184 N/A VAL 414.A N MET 410.A O no hydrogen 2.881 N/A MET 415.A N SER 411.A O no hydrogen 3.132 N/A THR 416.A N LYS 412.A O no hydrogen 2.746 N/A THR 416.A OG1 LYS 412.A O no hydrogen 2.966 N/A HIS 418.A NE2 GLU 400.A OE2 no hydrogen 3.081 N/A THR 420.A OG1 GLU 417.A OE1 no hydrogen 3.478 N/A LYS 421.A N GLU 417.A O no hydrogen 2.644 N/A VAL 422.A N HIS 418.A O no hydrogen 3.176 N/A LEU 423.A N VAL 419.A O no hydrogen 3.146 N/A ASP 424.A N THR 420.A O no hydrogen 2.862 N/A ALA 425.A N LYS 421.A O no hydrogen 3.138 N/A CYS 426.A N VAL 422.A O no hydrogen 3.085 N/A ASN 427.A N LEU 423.A O no hydrogen 2.893 N/A ASN 427.A ND2 ALA 225.A O no hydrogen 2.669 N/A ALA 428.A N ASP 424.A O no hydrogen 2.911 N/A GLU 429.A N ALA 425.A O no hydrogen 3.055 N/A ARG 430.A N CYS 426.A O no hydrogen 2.907 N/A ARG 430.A NH1 GLY 226.A O no hydrogen 3.058 N/A ARG 430.A NH2 GLY 226.A O no hydrogen 3.342 N/A ALA 431.A N ASN 427.A O no hydrogen 3.256 N/A LYS 432.A N ALA 428.A O no hydrogen 3.307 N/A LYS 432.A NZ GLU 429.A OE1 no hydrogen 3.196 N/A ARG 433.A N GLU 429.A O no hydrogen 3.191 N/A ARG 433.A NE GLU 429.A OE2 no hydrogen 3.104 N/A ARG 433.A NH1 HIS 46.A O no hydrogen 2.958 N/A ARG 433.A NH2 HIS 46.A O no hydrogen 2.979 N/A ARG 433.A NH2 THR 47.A O no hydrogen 3.298 N/A ARG 433.A NH2 GLU 429.A OE2 no hydrogen 3.509 N/A LEU 434.A N ARG 430.A O no hydrogen 2.733 N/A ALA 435.A N ALA 431.A O no hydrogen 3.264 N/A ASN 436.A N LYS 432.A O no hydrogen 3.045 N/A ARG 437.A N LEU 434.A O no hydrogen 3.398 N/A ARG 437.A NH1 SER 445.A O no hydrogen 3.176 N/A LYS 438.A N ARG 433.A O no hydrogen 3.095 N/A LYS 438.A N ASN 436.A OD1 no hydrogen 3.279 N/A GLN 439.A N ARG 433.A O no hydrogen 3.269 N/A ILE 441.A N SER 445.A OG no hydrogen 2.945 N/A ALA 443.A N GLU 446.A O no hydrogen 3.113 N/A VAL 444.A N ILE 441.A O no hydrogen 2.880 N/A SER 445.A N ILE 441.A O no hydrogen 2.723 N/A SER 445.A OG ILE 441.A O no hydrogen 3.500 N/A GLU 446.A N ILE 441.A O no hydrogen 3.150 N/A ILE 455.A N SER 454.A OG no hydrogen 2.747 N/A LYS 458.A N LEU 350.A O no hydrogen 2.802 N/A ARG 466.A NH1 LEU 188.A O no hydrogen 2.749 N/A ARG 466.A NH1 LEU 469.A O no hydrogen 3.024 N/A ARG 466.A NH2 LEU 469.A O no hydrogen 2.979 N/A GLY 468.A N LEU 188.A O no hydrogen 3.174 N/A LEU 469.A N ALA 187.A O no hydrogen 3.129 N/A HIS 472.A ND1 GLU 476.A OE1 no hydrogen 2.757 N/A ARG 473.A N GLU 476.A OE2 no hydrogen 2.988 N/A ARG 473.A NH1 LEU 312.A O no hydrogen 3.169 N/A ARG 473.A NH1 GLU 479.A OE1 no hydrogen 3.152 N/A ARG 473.A NH1 GLU 479.A OE2 no hydrogen 2.878 N/A ARG 473.A NH2 GLU 479.A OE1 no hydrogen 2.637 N/A ASP 474.A N ARG 310.A O no hydrogen 3.099 N/A SER 475.A OG LEU 312.A O no hydrogen 3.354 N/A SER 475.A OG GLU 479.A OE2 no hydrogen 2.623 N/A GLU 476.A N ARG 473.A O no hydrogen 3.380 N/A GLU 479.A N SER 475.A O no hydrogen 2.894 N/A GLN 480.A N GLU 476.A O no hydrogen 3.098 N/A LEU 481.A N VAL 477.A O no hydrogen 3.318 N/A MET 482.A N PHE 478.A O no hydrogen 3.064 N/A ASP 483.A N GLU 479.A O no hydrogen 2.856 N/A ARG 484.A N GLN 480.A O no hydrogen 3.238 N/A ARG 484.A NE ALA 618.A O no hydrogen 2.721 N/A ARG 484.A NH1 SER 609.A O no hydrogen 3.384 N/A ARG 484.A NH1 ASP 613.A OD1 no hydrogen 3.501 N/A ARG 484.A NH2 ASP 613.A OD1 no hydrogen 2.860 N/A ARG 484.A NH2 VAL 617.A O no hydrogen 2.931 N/A ARG 484.A NH2 ALA 618.A O no hydrogen 3.549 N/A SER 485.A OG ALA 519.A O no hydrogen 2.604 N/A THR 486.A N MET 482.A O no hydrogen 3.009 N/A THR 486.A OG1 MET 482.A O no hydrogen 3.120 N/A SER 487.A N ASP 483.A O no hydrogen 2.943 N/A SER 487.A OG ARG 484.A O no hydrogen 2.843 N/A ARG 491.A NH1 GLY 520.A O no hydrogen 2.754 N/A VAL 494.A N ASP 522.A O no hydrogen 3.239 N/A PHE 495.A N VAL 545.A O no hydrogen 2.870 N/A LEU 496.A N PRO 524.A O no hydrogen 2.918 N/A ALA 497.A N ASP 547.A O no hydrogen 3.204 N/A CYS 498.A N VAL 526.A O no hydrogen 3.191 N/A CYS 498.A SG LEU 496.A O no hydrogen 3.991 N/A CYS 498.A SG GLN 525.A OE1 no hydrogen 3.733 N/A LEU 499.A N CYS 549.A O no hydrogen 2.927 N/A THR 501.A N ASP 504.A OD2 no hydrogen 2.838 N/A THR 501.A OG1 ASP 504.A OD2 no hydrogen 2.927 N/A ARG 502.A NE GLU 527.A OE1 no hydrogen 3.066 N/A ASP 504.A N THR 501.A O no hydrogen 3.079 N/A ASP 504.A N THR 501.A OG1 no hydrogen 3.324 N/A PHE 505.A N THR 501.A O no hydrogen 3.030 N/A GLY 506.A N ARG 502.A O no hydrogen 3.000 N/A ARG 508.A NH1 SER 550.A O no hydrogen 3.019 N/A ARG 508.A NH1 GLU 582.A OE1 no hydrogen 2.914 N/A ARG 508.A NH2 GLU 582.A OE2 no hydrogen 2.869 N/A GLU 509.A N PHE 505.A O no hydrogen 3.181 N/A GLY 510.A N GLY 506.A O no hydrogen 3.011 N/A PHE 511.A N GLY 507.A O no hydrogen 2.851 N/A SER 512.A N ARG 508.A O no hydrogen 3.007 N/A SER 512.A OG ARG 508.A O no hydrogen 2.564 N/A SER 512.A OG SER 577.A OG no hydrogen 2.642 N/A SER 513.A N GLU 509.A O no hydrogen 3.095 N/A SER 513.A OG GLU 509.A OE2 no hydrogen 2.997 N/A TRP 516.A N SER 512.A O no hydrogen 3.265 N/A TRP 516.A NE1 ASP 547.A OD2 no hydrogen 2.845 N/A HIS 517.A N SER 513.A O no hydrogen 3.181 N/A HIS 517.A NE2 THR 523.A OG1 no hydrogen 2.893 N/A ILE 518.A N PRO 514.A O no hydrogen 3.138 N/A ILE 518.A N VAL 515.A O no hydrogen 3.099 N/A GLY 520.A N HIS 517.A O no hydrogen 3.095 N/A ILE 521.A N TRP 516.A O no hydrogen 3.355 N/A ASP 522.A N PRO 492.A O no hydrogen 3.026 N/A THR 523.A OG1 HIS 517.A NE2 no hydrogen 2.893 N/A GLN 525.A NE2 GLU 509.A OE2 no hydrogen 2.714 N/A VAL 526.A N LEU 496.A O no hydrogen 3.145 N/A GLY 528.A N CYS 498.A O no hydrogen 3.298 N/A THR 530.A N GLU 533.A OE1 no hydrogen 2.657 N/A THR 530.A OG1 GLU 533.A OE1 no hydrogen 2.882 N/A THR 531.A OG1 GLU 561.A OE2 no hydrogen 2.628 N/A GLU 533.A N THR 530.A OG1 no hydrogen 2.696 N/A ILE 534.A N THR 530.A O no hydrogen 2.784 N/A VAL 535.A N THR 531.A O no hydrogen 2.955 N/A GLU 536.A N ALA 532.A O no hydrogen 3.029 N/A ALA 537.A N GLU 533.A O no hydrogen 3.162 N/A PHE 538.A N ILE 534.A O no hydrogen 2.931 N/A LYS 539.A N VAL 535.A O no hydrogen 3.015 N/A LYS 540.A N GLU 536.A O no hydrogen 2.657 N/A SER 541.A N ALA 537.A O no hydrogen 2.770 N/A SER 541.A OG PHE 538.A O no hydrogen 2.754 N/A ALA 543.A N SER 541.A OG no hydrogen 2.780 N/A ALA 546.A N ALA 573.A O no hydrogen 3.402 N/A ASP 547.A N PHE 495.A O no hydrogen 2.847 N/A LEU 548.A N TYR 575.A O no hydrogen 2.772 N/A CYS 549.A N ALA 497.A O no hydrogen 3.137 N/A CYS 549.A SG ASP 547.A O no hydrogen 3.776 N/A CYS 549.A SG ASP 547.A OD1 no hydrogen 3.426 N/A CYS 549.A SG SER 577.A OG no hydrogen 3.715 N/A SER 550.A OG LEU 499.A O no hydrogen 2.685 N/A VAL 554.A N SER 551.A OG no hydrogen 3.300 N/A TYR 555.A N SER 551.A O no hydrogen 3.079 N/A TYR 555.A OH LEU 548.A O no hydrogen 2.724 N/A TYR 555.A OH SER 577.A O no hydrogen 2.699 N/A ALA 556.A N ALA 552.A O no hydrogen 2.837 N/A GLN 557.A N LYS 553.A O no hydrogen 3.267 N/A GLN 558.A N VAL 554.A O no hydrogen 2.793 N/A GLY 559.A N TYR 555.A O no hydrogen 3.025 N/A VAL 562.A N GLN 558.A O no hydrogen 3.101 N/A ALA 563.A N GLY 559.A O no hydrogen 2.870 N/A LYS 564.A N LEU 560.A O no hydrogen 2.841 N/A ALA 565.A N GLU 561.A O no hydrogen 2.822 N/A LEU 566.A N VAL 562.A O no hydrogen 2.729 N/A LYS 567.A N ALA 563.A O no hydrogen 2.773 N/A LYS 567.A NZ ASP 595.A OD1 no hydrogen 3.210 N/A ALA 568.A N LYS 564.A O no hydrogen 2.946 N/A ALA 569.A N ALA 565.A O no hydrogen 3.235 N/A ALA 569.A N LEU 566.A O no hydrogen 3.106 N/A ALA 571.A N LEU 566.A O no hydrogen 3.283 N/A LYS 572.A N GLN 544.A O no hydrogen 2.875 N/A LEU 574.A N ASP 595.A OD1 no hydrogen 2.939 N/A TYR 575.A N ALA 546.A O no hydrogen 2.671 N/A LEU 576.A N GLY 596.A O no hydrogen 3.032 N/A SER 577.A N LEU 548.A O no hydrogen 2.863 N/A SER 577.A OG SER 512.A OG no hydrogen 2.642 N/A SER 577.A OG ASP 547.A OD1 no hydrogen 2.525 N/A SER 577.A OG ASP 547.A OD2 no hydrogen 3.196 N/A ALA 579.A N GLU 582.A OE2 no hydrogen 3.088 N/A GLU 582.A N ALA 579.A O no hydrogen 3.194 N/A PHE 583.A N PHE 580.A O no hydrogen 3.415 N/A GLY 584.A N LYS 581.A O no hydrogen 3.210 N/A ASP 586.A N PHE 583.A O no hydrogen 2.779 N/A ALA 587.A N GLY 584.A O no hydrogen 3.152 N/A ALA 590.A N ASP 586.A O no hydrogen 2.731 N/A GLU 591.A N ALA 587.A O no hydrogen 2.927 N/A LYS 592.A N GLU 589.A O no hydrogen 3.289 N/A LEU 593.A N ALA 590.A O no hydrogen 2.803 N/A ASP 595.A N LEU 574.A O no hydrogen 3.113 N/A ARG 597.A NE GLY 578.A O no hydrogen 2.771 N/A ARG 597.A NH2 GLY 578.A O no hydrogen 2.985 N/A LEU 598.A N LEU 576.A O no hydrogen 2.933 N/A MET 602.A N PHE 599.A O no hydrogen 3.177 N/A VAL 604.A N ALA 435.A O no hydrogen 2.848 N/A ASP 606.A N ASP 603.A OD1 no hydrogen 2.723 N/A THR 607.A OG1 ASP 603.A O no hydrogen 2.879 N/A LEU 608.A N VAL 604.A O no hydrogen 2.661 N/A SER 609.A N VAL 605.A O no hydrogen 2.950 N/A SER 609.A OG VAL 605.A O no hydrogen 3.240 N/A SER 609.A OG ASP 606.A O no hydrogen 3.390 N/A SER 610.A N ASP 606.A O no hydrogen 3.156 N/A THR 611.A N THR 607.A O no hydrogen 3.029 N/A THR 611.A OG1 TYR 575.A OH no hydrogen 2.770 N/A THR 611.A OG1 THR 607.A O no hydrogen 3.309 N/A LEU 612.A N LEU 608.A O no hydrogen 3.115 N/A ASP 613.A N SER 609.A O no hydrogen 2.760 N/A ILE 614.A N SER 610.A O no hydrogen 3.097 N/A LEU 615.A N THR 611.A O no hydrogen 3.191 N/A GLY 616.A N ASP 613.A O no hydrogen 2.765 N/A VAL 617.A N LEU 612.A O no hydrogen 3.223 N/A