Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4od0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N SER 178.A O no hydrogen 2.985 N/A ARG 4.A N GLU 179.A O no hydrogen 2.872 N/A ARG 4.A NE GLU 179.A OE1 no hydrogen 3.297 N/A ARG 4.A NE GLU 179.A OE2 no hydrogen 3.291 N/A ALA 6.A N THR 118.A O no hydrogen 2.953 N/A VAL 7.A N VAL 181.A O no hydrogen 2.656 N/A PHE 8.A N ALA 120.A O no hydrogen 2.861 N/A ASP 9.A N LEU 183.A O no hydrogen 2.978 N/A GLY 12.A N ALA 15.A O no hydrogen 2.798 N/A VAL 13.A N LEU 10.A O no hydrogen 2.864 N/A LEU 14.A N ASP 9.A O no hydrogen 3.201 N/A ALA 15.A N LEU 10.A O no hydrogen 2.986 N/A LEU 16.A N LYS 100.A O no hydrogen 2.850 N/A VAL 19.A N ASP 11.A OD1 no hydrogen 3.130 N/A VAL 19.A N ASP 11.A OD2 no hydrogen 2.749 N/A GLY 21.A N ALA 18.A O no hydrogen 3.141 N/A VAL 22.A N VAL 19.A O no hydrogen 3.147 N/A LEU 23.A N VAL 19.A O no hydrogen 2.980 N/A GLY 24.A N PHE 20.A O no hydrogen 3.265 N/A THR 26.A N VAL 22.A O no hydrogen 3.053 N/A THR 26.A OG1 VAL 22.A O no hydrogen 3.482 N/A GLU 28.A N GLY 24.A O no hydrogen 3.392 N/A ALA 29.A N ARG 25.A O no hydrogen 2.721 N/A LEU 30.A N THR 26.A O no hydrogen 3.014 N/A LEU 30.A N GLU 27.A O no hydrogen 3.106 N/A ALA 31.A N GLU 28.A O no hydrogen 3.207 N/A LEU 32.A N GLU 27.A O no hydrogen 2.863 N/A ARG 34.A NH1 GLU 28.A OE2 no hydrogen 3.473 N/A GLY 35.A N GLU 27.A OE1 no hydrogen 2.390 N/A LEU 36.A N PRO 33.A O no hydrogen 2.832 N/A LEU 37.A N GLU 27.A OE2 no hydrogen 3.134 N/A ASN 38.A ND2 GLN 42.A OE1 no hydrogen 3.349 N/A ASP 39.A N GLY 35.A O no hydrogen 2.671 N/A ALA 40.A N LEU 36.A O no hydrogen 3.071 N/A PHE 41.A N LEU 37.A O no hydrogen 2.919 N/A GLN 42.A N ASN 38.A O no hydrogen 2.947 N/A GLN 42.A NE2 ASN 38.A OD1 no hydrogen 2.733 N/A GLY 45.A N GLN 42.A O no hydrogen 2.853 N/A GLU 47.A N GLY 44.A O no hydrogen 2.875 N/A GLY 48.A N GLY 45.A O no hydrogen 3.250 N/A THR 50.A OG1 PHE 41.A O no hydrogen 2.926 N/A THR 51.A OG1 GLY 45.A O no hydrogen 3.023 N/A ARG 52.A N GLY 48.A O no hydrogen 3.251 N/A LEU 53.A N ALA 49.A O no hydrogen 3.012 N/A MET 54.A N THR 50.A O no hydrogen 3.034 N/A LYS 55.A N THR 51.A O no hydrogen 3.031 N/A LYS 55.A N ARG 52.A O no hydrogen 3.288 N/A LYS 55.A NZ GLU 162.A OE1 no hydrogen 2.949 N/A LYS 55.A NZ GLU 162.A OE2 no hydrogen 3.105 N/A GLY 56.A N LEU 53.A O no hydrogen 3.075 N/A GLU 57.A N ARG 52.A O no hydrogen 2.936 N/A THR 59.A N GLN 62.A OE1 no hydrogen 2.467 N/A THR 59.A OG1 ASP 129.A OD1 no hydrogen 3.271 N/A THR 59.A OG1 ASP 129.A OD2 no hydrogen 2.661 N/A LEU 60.A N LEU 127.A O no hydrogen 3.159 N/A SER 61.A N ASP 129.A OD1 no hydrogen 2.890 N/A SER 61.A OG ASP 129.A OD1 no hydrogen 2.712 N/A GLN 62.A N THR 59.A OG1 no hydrogen 3.059 N/A TRP 63.A N THR 59.A O no hydrogen 2.803 N/A TRP 63.A NE1 THR 50.A OG1 no hydrogen 2.933 N/A ILE 64.A N LEU 60.A O no hydrogen 2.914 N/A MET 67.A N TRP 63.A O no hydrogen 3.012 N/A GLU 68.A N ILE 64.A O no hydrogen 3.048 N/A GLU 69.A N PRO 65.A O no hydrogen 2.751 N/A ASN 70.A N LEU 66.A O no hydrogen 2.911 N/A ASN 70.A ND2 ALA 40.A O no hydrogen 3.004 N/A CYS 71.A N MET 67.A O no hydrogen 2.908 N/A CYS 71.A SG MET 67.A O no hydrogen 3.724 N/A ARG 72.A N GLU 68.A O no hydrogen 3.011 N/A LYS 73.A N GLU 69.A O no hydrogen 3.121 N/A LYS 73.A NZ GLU 69.A OE1 no hydrogen 3.153 N/A CYS 74.A N ASN 70.A O no hydrogen 2.652 N/A SER 75.A N CYS 71.A O no hydrogen 3.033 N/A SER 75.A OG CYS 71.A O no hydrogen 3.131 N/A SER 75.A OG ARG 72.A O no hydrogen 2.812 N/A SER 75.A OG VAL 80.A O no hydrogen 3.526 N/A THR 77.A N LYS 73.A O no hydrogen 3.032 N/A THR 77.A OG1 LYS 73.A O no hydrogen 2.620 N/A ALA 78.A N CYS 74.A O no hydrogen 3.268 N/A LYS 79.A N GLU 76.A O no hydrogen 2.875 N/A LYS 79.A NZ THR 77.A O no hydrogen 2.855 N/A VAL 80.A N SER 75.A O no hydrogen 2.997 N/A ILE 88.A N GLU 68.A OE1 no hydrogen 3.193 N/A LYS 89.A NZ GLU 132.A OE2 no hydrogen 2.500 N/A GLU 90.A N SER 87.A OG no hydrogen 2.579 N/A ILE 91.A N SER 87.A O no hydrogen 3.079 N/A PHE 92.A N ILE 88.A O no hydrogen 3.018 N/A ASP 93.A N LYS 89.A O no hydrogen 2.800 N/A LYS 94.A N GLU 90.A O no hydrogen 3.085 N/A ALA 95.A N ILE 91.A O no hydrogen 3.098 N/A ILE 96.A N PHE 92.A O no hydrogen 3.098 N/A ILE 96.A N ASP 93.A O no hydrogen 3.174 N/A SER 97.A N ASP 93.A O no hydrogen 3.154 N/A SER 97.A OG ASP 93.A O no hydrogen 3.162 N/A SER 97.A OG LYS 94.A O no hydrogen 3.184 N/A ALA 98.A N LYS 94.A O no hydrogen 2.792 N/A ARG 99.A N ALA 95.A O no hydrogen 3.162 N/A ARG 99.A NH1 ASP 11.A OD2 no hydrogen 2.781 N/A LYS 100.A N LEU 16.A O no hydrogen 2.778 N/A ASN 102.A N LEU 14.A O no hydrogen 2.703 N/A ASN 102.A ND2 VAL 13.A O no hydrogen 3.068 N/A ASN 102.A ND2 THR 206.A OG1 no hydrogen 3.259 N/A ARG 103.A NH1 GLU 142.A OE2 no hydrogen 3.221 N/A ARG 103.A NH2 GLU 142.A OE2 no hydrogen 3.353 N/A LEU 106.A N ASN 102.A O no hydrogen 3.160 N/A GLN 107.A N ARG 103.A O no hydrogen 2.874 N/A GLN 107.A NE2 ARG 103.A O no hydrogen 3.040 N/A ALA 108.A N PRO 104.A O no hydrogen 2.893 N/A ALA 109.A N MET 105.A O no hydrogen 2.751 N/A LEU 110.A N LEU 106.A O no hydrogen 2.784 N/A MET 111.A N GLN 107.A O no hydrogen 2.797 N/A LEU 112.A N ALA 108.A O no hydrogen 3.105 N/A ARG 113.A N ALA 109.A O no hydrogen 2.978 N/A ARG 113.A NE ASP 148.A OD2 no hydrogen 3.197 N/A ARG 113.A NH2 ASP 148.A OD2 no hydrogen 2.547 N/A LYS 114.A N LEU 110.A O no hydrogen 2.774 N/A LYS 115.A N MET 111.A O no hydrogen 3.013 N/A GLY 116.A N ARG 113.A O no hydrogen 2.778 N/A PHE 117.A N LEU 112.A O no hydrogen 2.884 N/A THR 118.A N ARG 4.A O no hydrogen 3.093 N/A THR 119.A N ASP 148.A OD1 no hydrogen 2.646 N/A THR 119.A OG1 HIS 146.A O no hydrogen 3.548 N/A ALA 120.A N ALA 6.A O no hydrogen 3.121 N/A ILE 121.A N PHE 149.A O no hydrogen 2.865 N/A LEU 122.A N PHE 8.A O no hydrogen 3.060 N/A THR 123.A N ILE 151.A O no hydrogen 3.214 N/A THR 123.A OG1 ASN 124.A O no hydrogen 3.531 N/A ASN 124.A ND2 LYS 160.A O no hydrogen 3.087 N/A THR 125.A N SER 153.A OG no hydrogen 2.598 N/A ARG 130.A N ASP 128.A OD1 no hydrogen 3.277 N/A ARG 130.A NE ASP 128.A OD1 no hydrogen 2.946 N/A ARG 130.A NE ASP 128.A OD2 no hydrogen 3.233 N/A ARG 130.A NH1 ASP 93.A OD1 no hydrogen 3.175 N/A ARG 130.A NH2 ASP 128.A OD2 no hydrogen 2.797 N/A ARG 133.A N ARG 130.A O no hydrogen 3.147 N/A ARG 133.A NH1 ARG 130.A O no hydrogen 3.039 N/A ALA 137.A N ARG 133.A O no hydrogen 3.253 N/A GLN 138.A N ASP 134.A O no hydrogen 2.982 N/A LEU 139.A N GLY 135.A O no hydrogen 3.088 N/A MET 140.A N LEU 136.A O no hydrogen 2.905 N/A CYS 141.A N ALA 137.A O no hydrogen 2.894 N/A CYS 141.A SG ALA 137.A O no hydrogen 3.470 N/A GLU 142.A N GLN 138.A O no hydrogen 2.966 N/A LEU 143.A N LEU 139.A O no hydrogen 3.039 N/A LYS 144.A N MET 140.A O no hydrogen 3.029 N/A MET 145.A N CYS 141.A O no hydrogen 3.359 N/A HIS 146.A N LEU 143.A O no hydrogen 2.770 N/A HIS 146.A NE2 THR 230.A OG1 no hydrogen 3.343 N/A PHE 147.A N LYS 144.A O no hydrogen 3.042 N/A ASP 148.A N THR 119.A O no hydrogen 2.946 N/A ASP 148.A N THR 119.A OG1 no hydrogen 3.401 N/A ILE 151.A N ILE 121.A O no hydrogen 2.954 N/A SER 153.A N THR 123.A O no hydrogen 2.888 N/A SER 153.A OG MET 54.A O no hydrogen 2.685 N/A SER 153.A OG THR 125.A O no hydrogen 2.762 N/A CYS 154.A SG THR 125.A O no hydrogen 3.048 N/A GLN 155.A N GLU 152.A O no hydrogen 2.851 N/A VAL 156.A N GLU 152.A O no hydrogen 3.029 N/A VAL 156.A N SER 153.A O no hydrogen 3.101 N/A GLY 157.A N SER 153.A O no hydrogen 2.864 N/A VAL 159.A N GLU 162.A OE2 no hydrogen 2.944 N/A LYS 160.A N ASN 124.A OD1 no hydrogen 2.926 N/A LYS 160.A NZ ASP 9.A OD1 no hydrogen 3.280 N/A LYS 160.A NZ LEU 122.A O no hydrogen 3.210 N/A LYS 160.A NZ ASP 184.A OD2 no hydrogen 3.329 N/A GLU 162.A N VAL 159.A O no hydrogen 2.738 N/A ILE 165.A N GLU 162.A O no hydrogen 3.060 N/A TYR 166.A N PRO 163.A O no hydrogen 2.676 N/A TYR 166.A OH ASN 189.A O no hydrogen 2.911 N/A LYS 167.A N PRO 163.A O no hydrogen 3.039 N/A PHE 168.A N GLN 164.A O no hydrogen 2.897 N/A LEU 170.A N TYR 166.A O no hydrogen 2.809 N/A ASP 171.A N LYS 167.A O no hydrogen 2.897 N/A THR 172.A N PHE 168.A O no hydrogen 2.980 N/A THR 172.A OG1 PHE 168.A O no hydrogen 2.620 N/A LEU 173.A N LEU 169.A O no hydrogen 2.911 N/A LYS 174.A N ASP 171.A O no hydrogen 3.350 N/A ALA 175.A N LEU 170.A O no hydrogen 3.497 N/A SER 176.A N GLU 179.A OE1 no hydrogen 3.455 N/A SER 176.A OG GLU 179.A OE1 no hydrogen 3.251 N/A GLU 179.A N SER 176.A O no hydrogen 2.612 N/A VAL 180.A N PRO 177.A O no hydrogen 3.380 N/A VAL 181.A N ALA 5.A O no hydrogen 2.908 N/A PHE 182.A N VAL 199.A O no hydrogen 2.990 N/A LEU 183.A N VAL 7.A O no hydrogen 2.948 N/A ASP 184.A N ILE 201.A O no hydrogen 3.226 N/A ASP 185.A N ASP 9.A OD2 no hydrogen 3.260 N/A ILE 186.A N ASP 184.A OD1 no hydrogen 3.215 N/A ASN 189.A ND2 ASP 184.A OD1 no hydrogen 3.155 N/A LEU 190.A N GLY 187.A O no hydrogen 2.648 N/A LYS 191.A N GLY 187.A O no hydrogen 3.241 N/A ARG 194.A N LEU 190.A O no hydrogen 2.991 N/A ARG 194.A NH1 THR 200.A OG1 no hydrogen 3.086 N/A ASP 195.A N LYS 191.A O no hydrogen 3.069 N/A LEU 196.A N PRO 192.A O no hydrogen 3.402 N/A GLY 197.A N ALA 193.A O no hydrogen 3.250 N/A GLY 197.A N ARG 194.A O no hydrogen 2.540 N/A MET 198.A N ALA 193.A O no hydrogen 3.056 N/A VAL 199.A N VAL 180.A O no hydrogen 3.224 N/A ILE 201.A N PHE 182.A O no hydrogen 3.134 N/A VAL 203.A N ASP 184.A O no hydrogen 2.714 N/A THR 208.A N ASP 205.A OD2 no hydrogen 3.170 N/A THR 208.A OG1 ASP 205.A OD1 no hydrogen 2.563 N/A THR 208.A OG1 ASP 205.A OD2 no hydrogen 2.954 N/A ALA 209.A N ASP 205.A O no hydrogen 3.473 N/A LEU 210.A N THR 206.A O no hydrogen 2.954 N/A LYS 211.A N ASP 207.A O no hydrogen 2.992 N/A GLU 212.A N THR 208.A O no hydrogen 2.874 N/A LEU 213.A N ALA 209.A O no hydrogen 2.879 N/A GLU 214.A N LEU 210.A O no hydrogen 2.730 N/A LYS 215.A N LYS 211.A O no hydrogen 2.929 N/A VAL 216.A N GLU 212.A O no hydrogen 2.957 N/A THR 217.A N LEU 213.A O no hydrogen 3.011 N/A THR 217.A OG1 LEU 213.A O no hydrogen 2.587 N/A THR 217.A OG1 GLU 214.A O no hydrogen 3.277 N/A GLY 218.A N GLU 214.A O no hydrogen 2.757 N/A GLY 218.A N LYS 215.A O no hydrogen 2.988 N/A LEU 221.A N GLU 214.A OE2 no hydrogen 2.750 N/A LEU 222.A N GLU 214.A OE2 no hydrogen 2.645 N/A THR 230.A OG1 HIS 146.A NE2 no hydrogen 3.343 N/A CYS 232.A SG ARG 275.A O no hydrogen 3.550 N/A SER 235.A N ASN 233.A OD1 no hydrogen 3.245 N/A SER 235.A OG ASN 233.A OD1 no hydrogen 3.283 N/A ASP 236.A N ASN 233.A O no hydrogen 2.832 N/A MET 237.A N PRO 234.A O no hydrogen 3.081 N/A HIS 239.A ND1 HIS 251.A NE2 no hydrogen 2.764 N/A HIS 239.A NE2 PRO 234.A O no hydrogen 2.931 N/A GLY 240.A N PHE 252.A O no hydrogen 2.665 N/A TYR 241.A OH GLU 298.A OE1 no hydrogen 2.987 N/A TYR 241.A OH GLU 298.A OE2 no hydrogen 2.722 N/A VAL 242.A N LEU 250.A O no hydrogen 2.911 N/A THR 243.A OG1 LYS 245.A O no hydrogen 3.511 N/A VAL 244.A N VAL 248.A O no hydrogen 3.030 N/A LYS 245.A NZ GLU 307.A OE2 no hydrogen 2.842 N/A LYS 245.A NZ GLU 316.A OE2 no hydrogen 3.046 N/A VAL 248.A N LYS 245.A O no hydrogen 3.051 N/A ARG 249.A N SER 300.A OG no hydrogen 2.871 N/A ARG 249.A NH2 GLU 298.A O no hydrogen 2.727 N/A LEU 250.A N VAL 242.A O no hydrogen 2.851 N/A HIS 251.A N SER 299.A OG no hydrogen 2.857 N/A HIS 251.A ND1 ASP 292.A OD2 no hydrogen 2.690 N/A HIS 251.A NE2 HIS 239.A ND1 no hydrogen 2.764 N/A PHE 252.A N GLY 240.A O no hydrogen 3.038 N/A VAL 253.A N ALA 290.A O no hydrogen 3.038 N/A GLU 254.A N SER 238.A O no hydrogen 2.968 N/A LEU 255.A N VAL 288.A O no hydrogen 3.074 N/A VAL 261.A N ARG 287.A O no hydrogen 2.773 N/A CYS 262.A N VAL 330.A O no hydrogen 2.862 N/A CYS 262.A SG LEU 289.A O no hydrogen 3.991 N/A LEU 263.A N LEU 289.A O no hydrogen 2.935 N/A CYS 264.A N ILE 332.A O no hydrogen 2.983 N/A CYS 264.A SG CYS 262.A O no hydrogen 3.860 N/A CYS 264.A SG ILE 332.A O no hydrogen 4.024 N/A PHE 267.A N ASP 335.A OD1 no hydrogen 2.618 N/A TRP 271.A N ASP 292.A OD1 no hydrogen 3.488 N/A TYR 272.A N SER 270.A OG no hydrogen 3.303 N/A SER 273.A N SER 270.A O no hydrogen 2.747 N/A SER 273.A OG GLU 269.A OE2 no hydrogen 2.626 N/A SER 273.A OG SER 270.A O no hydrogen 3.363 N/A SER 273.A OG TYR 450.A OH no hydrogen 2.905 N/A TRP 274.A N TRP 271.A O no hydrogen 2.971 N/A ARG 275.A N TYR 272.A O no hydrogen 2.869 N/A ARG 275.A NE GLU 446.A OE2 no hydrogen 3.070 N/A ARG 275.A NH1 TYR 272.A O no hydrogen 3.218 N/A ARG 275.A NH2 GLU 446.A OE1 no hydrogen 3.017 N/A GLN 277.A N TRP 274.A O no hydrogen 2.944 N/A ILE 278.A N TRP 274.A O no hydrogen 3.013 N/A LEU 281.A N GLN 277.A O no hydrogen 2.929 N/A ALA 282.A N ILE 278.A O no hydrogen 3.061 N/A GLN 283.A N PRO 279.A O no hydrogen 2.744 N/A ALA 284.A N ALA 280.A O no hydrogen 2.795 N/A GLY 285.A N ALA 282.A O no hydrogen 3.048 N/A TYR 286.A N LEU 281.A O no hydrogen 3.227 N/A TYR 286.A OH ASP 543.A OD1 no hydrogen 2.660 N/A ARG 287.A N PRO 259.A O no hydrogen 3.173 N/A ARG 287.A NE GLU 254.A OE2 no hydrogen 2.865 N/A ARG 287.A NH2 GLU 254.A OE2 no hydrogen 2.819 N/A VAL 288.A N LEU 255.A O no hydrogen 2.936 N/A LEU 289.A N VAL 261.A O no hydrogen 2.703 N/A ALA 290.A N VAL 253.A O no hydrogen 2.764 N/A MET 291.A N LEU 263.A O no hydrogen 3.035 N/A ASP 292.A N HIS 251.A O no hydrogen 2.822 N/A LYS 294.A NZ GLU 307.A O no hydrogen 2.587 N/A LYS 294.A NZ GLU 316.A OE2 no hydrogen 2.805 N/A GLY 295.A N SER 300.A O no hydrogen 2.864 N/A TYR 296.A N MET 293.A O no hydrogen 2.815 N/A GLU 298.A N ASP 292.A OD2 no hydrogen 3.211 N/A SER 299.A N TYR 296.A O no hydrogen 2.985 N/A SER 299.A OG ASP 292.A O no hydrogen 2.421 N/A SER 300.A N ARG 249.A O no hydrogen 2.752 N/A SER 300.A OG ARG 247.A O no hydrogen 3.401 N/A SER 300.A OG ARG 249.A O no hydrogen 3.546 N/A GLU 307.A N GLU 304.A O no hydrogen 3.158 N/A TYR 308.A N ILE 305.A O no hydrogen 3.014 N/A TYR 308.A OH PRO 302.A O no hydrogen 2.520 N/A CYS 309.A N GLU 306.A O no hydrogen 3.204 N/A CYS 309.A SG GLU 306.A O no hydrogen 3.229 N/A MET 310.A N ASN 472.A OD1 no hydrogen 2.940 N/A LEU 313.A N CYS 309.A O no hydrogen 3.028 N/A CYS 314.A N MET 310.A O no hydrogen 2.638 N/A CYS 314.A SG MET 310.A O no hydrogen 3.414 N/A LYS 315.A N GLU 311.A O no hydrogen 2.916 N/A LYS 315.A NZ GLU 311.A OE2 no hydrogen 2.959 N/A GLU 316.A N VAL 312.A O no hydrogen 3.056 N/A MET 317.A N LEU 313.A O no hydrogen 3.274 N/A VAL 318.A N CYS 314.A O no hydrogen 2.963 N/A THR 319.A N LYS 315.A O no hydrogen 2.851 N/A THR 319.A OG1 LYS 315.A O no hydrogen 2.842 N/A PHE 320.A N GLU 316.A O no hydrogen 2.791 N/A LEU 321.A N MET 317.A O no hydrogen 3.053 N/A ASP 322.A N VAL 318.A O no hydrogen 2.907 N/A LYS 323.A N THR 319.A O no hydrogen 2.831 N/A LYS 323.A NZ THR 243.A O no hydrogen 3.524 N/A LEU 324.A N PHE 320.A O no hydrogen 3.198 N/A GLY 325.A N ASP 322.A O no hydrogen 2.908 N/A LEU 326.A N LEU 321.A O no hydrogen 3.008 N/A GLN 328.A NE2 GLU 350.A O no hydrogen 3.354 N/A ALA 329.A N ARG 351.A O no hydrogen 3.089 N/A VAL 330.A N ALA 260.A O no hydrogen 3.023 N/A PHE 331.A N ALA 354.A O no hydrogen 2.801 N/A ILE 332.A N CYS 262.A O no hydrogen 3.115 N/A GLY 333.A N ALA 356.A O no hydrogen 2.937 N/A HIS 334.A N CYS 264.A O no hydrogen 3.064 N/A HIS 334.A NE2 HIS 524.A O no hydrogen 2.756 N/A LEU 340.A N TRP 336.A O no hydrogen 3.323 N/A VAL 341.A N GLY 337.A O no hydrogen 2.895 N/A TRP 342.A N GLY 338.A O no hydrogen 2.970 N/A TRP 342.A NE1 THR 360.A O no hydrogen 3.009 N/A TYR 343.A N MET 339.A O no hydrogen 2.952 N/A TYR 343.A OH ILE 363.A O no hydrogen 3.397 N/A MET 344.A N LEU 340.A O no hydrogen 2.738 N/A MET 344.A N VAL 341.A O no hydrogen 3.071 N/A ALA 345.A N VAL 341.A O no hydrogen 3.095 N/A LEU 346.A N TRP 342.A O no hydrogen 3.045 N/A PHE 347.A N MET 344.A O no hydrogen 3.321 N/A TYR 348.A N MET 344.A O no hydrogen 2.819 N/A ARG 351.A N TYR 348.A O no hydrogen 3.042 N/A ARG 351.A NH1 LEU 326.A O no hydrogen 2.859 N/A ARG 351.A NH1 SER 327.A O no hydrogen 2.903 N/A VAL 352.A N PRO 349.A O no hydrogen 2.790 N/A ARG 353.A N ALA 329.A O no hydrogen 3.087 N/A ARG 353.A NH1 ARG 353.A O no hydrogen 2.917 N/A ARG 353.A NH1 ASP 545.A O no hydrogen 3.244 N/A VAL 355.A N PRO 487.A O no hydrogen 2.821 N/A SER 357.A N LEU 489.A O no hydrogen 3.315 N/A SER 357.A OG THR 360.A O no hydrogen 2.652 N/A LEU 358.A N GLY 333.A O no hydrogen 3.081 N/A ASN 359.A N VAL 491.A O no hydrogen 2.712 N/A ASN 359.A ND2 ASP 496.A OD2 no hydrogen 2.978 N/A ASN 359.A ND2 GLY 523.A O no hydrogen 3.635 N/A THR 360.A N LEU 358.A O no hydrogen 2.846 N/A THR 360.A OG1 ASP 335.A O no hydrogen 2.465 N/A ASN 368.A N ASN 366.A OD1 no hydrogen 2.694 N/A MET 369.A N ASN 366.A OD1 no hydrogen 3.015 N/A SER 370.A OG GLU 373.A OE1 no hydrogen 3.459 N/A SER 374.A OG SER 370.A O no hydrogen 2.668 N/A ILE 375.A N PRO 371.A O no hydrogen 2.985 N/A LYS 376.A N LEU 372.A O no hydrogen 3.268 N/A ALA 377.A N GLU 373.A O no hydrogen 3.040 N/A VAL 380.A N ASN 378.A OD1 no hydrogen 2.861 N/A PHE 381.A N ASN 378.A O no hydrogen 3.054 N/A ASP 382.A N PRO 379.A O no hydrogen 2.954 N/A GLN 384.A N PHE 381.A O no hydrogen 2.922 N/A TYR 386.A N ASP 382.A O no hydrogen 3.155 N/A TYR 386.A OH GLU 396.A OE1 no hydrogen 2.237 N/A PHE 387.A N TYR 383.A O no hydrogen 3.082 N/A PHE 387.A N GLN 384.A O no hydrogen 3.011 N/A GLN 388.A N LEU 385.A O no hydrogen 2.963 N/A GLY 391.A N GLU 394.A OE1 no hydrogen 2.939 N/A GLY 391.A N GLU 394.A OE2 no hydrogen 3.284 N/A VAL 392.A N GLU 389.A O no hydrogen 3.323 N/A GLU 394.A N GLU 394.A OE1 no hydrogen 2.647 N/A ALA 395.A N GLY 391.A O no hydrogen 3.233 N/A LEU 397.A N ALA 393.A O no hydrogen 3.262 N/A GLU 398.A N GLU 394.A O no hydrogen 2.772 N/A GLN 399.A N GLU 396.A O no hydrogen 3.230 N/A ASN 400.A ND2 GLU 434.A OE1 no hydrogen 2.995 N/A ARG 403.A N ASN 400.A OD1 no hydrogen 3.120 N/A ARG 403.A NE PRO 433.A O no hydrogen 3.061 N/A ARG 403.A NH2 SER 432.A O no hydrogen 2.790 N/A THR 404.A N ASN 400.A O no hydrogen 2.933 N/A THR 404.A OG1 LEU 397.A O no hydrogen 2.894 N/A THR 404.A OG1 ASN 400.A O no hydrogen 3.471 N/A PHE 405.A N LEU 401.A O no hydrogen 3.094 N/A LYS 406.A N SER 402.A O no hydrogen 2.755 N/A LYS 406.A NZ GLU 444.A OE1 no hydrogen 3.155 N/A SER 407.A N ARG 403.A O no hydrogen 2.772 N/A SER 407.A OG ARG 403.A O no hydrogen 2.635 N/A LEU 408.A N THR 404.A O no hydrogen 2.927 N/A LEU 408.A N PHE 405.A O no hydrogen 3.019 N/A PHE 409.A N PHE 405.A O no hydrogen 2.899 N/A ARG 410.A N LEU 408.A O no hydrogen 2.912 N/A ARG 410.A NE LYS 406.A O no hydrogen 3.223 N/A ARG 410.A NH1 SER 437.A OG no hydrogen 2.881 N/A ARG 410.A NH2 GLU 414.A O no hydrogen 2.793 N/A ALA 411.A N GLU 414.A OE2 no hydrogen 3.090 N/A GLU 414.A N ALA 411.A O no hydrogen 2.968 N/A LEU 417.A N SER 415.A OG no hydrogen 2.977 N/A LYS 421.A NZ GLU 424.A OE2 no hydrogen 2.640 N/A CYS 423.A N ASP 382.A OD2 no hydrogen 2.969 N/A CYS 423.A SG ASP 382.A O no hydrogen 4.000 N/A CYS 423.A SG ASP 382.A OD1 no hydrogen 3.593 N/A CYS 423.A SG ASP 382.A OD2 no hydrogen 3.770 N/A ALA 425.A N LYS 421.A O no hydrogen 2.801 N/A GLY 426.A N VAL 422.A O no hydrogen 2.710 N/A GLY 427.A N VAL 422.A O no hydrogen 3.081 N/A LEU 428.A N GLU 396.A OE1 no hydrogen 2.887 N/A PHE 429.A N GLU 396.A OE2 no hydrogen 2.661 N/A SER 432.A N PHE 429.A O no hydrogen 2.980 N/A SER 432.A OG PHE 429.A O no hydrogen 3.086 N/A SER 439.A OG GLU 414.A OE2 no hydrogen 2.597 N/A ARG 440.A N GLU 414.A OE1 no hydrogen 3.211 N/A ARG 440.A NH2 ASP 529.A O no hydrogen 3.520 N/A MET 441.A N SER 439.A OG no hydrogen 2.807 N/A THR 443.A OG1 GLU 445.A OE1 no hydrogen 3.147 N/A GLU 446.A N THR 443.A OG1 no hydrogen 3.194 N/A ILE 447.A N THR 443.A O no hydrogen 3.099 N/A GLN 448.A N GLU 444.A O no hydrogen 3.039 N/A GLN 448.A NE2 GLU 444.A OE2 no hydrogen 3.088 N/A PHE 449.A N GLU 445.A O no hydrogen 2.896 N/A TYR 450.A N GLU 446.A O no hydrogen 3.420 N/A TYR 450.A OH SER 273.A OG no hydrogen 2.905 N/A VAL 451.A N ILE 447.A O no hydrogen 2.965 N/A GLN 452.A N GLN 448.A O no hydrogen 2.853 N/A GLN 453.A N PHE 449.A O no hydrogen 3.162 N/A PHE 454.A N TYR 450.A O no hydrogen 2.935 N/A LYS 455.A N VAL 451.A O no hydrogen 3.191 N/A LYS 455.A N GLN 452.A O no hydrogen 3.099 N/A LYS 456.A N GLN 453.A O no hydrogen 2.913 N/A GLY 458.A N PHE 454.A O no hydrogen 2.934 N/A PHE 459.A N GLU 398.A OE2 no hydrogen 3.024 N/A ARG 460.A NE PRO 303.A O no hydrogen 2.967 N/A ARG 460.A NH2 PRO 303.A O no hydrogen 3.082 N/A LEU 463.A N PHE 459.A O no hydrogen 2.754 N/A ASN 464.A N ARG 460.A O no hydrogen 2.977 N/A ASN 464.A N GLY 461.A O no hydrogen 3.104 N/A ASN 464.A ND2 PRO 303.A O no hydrogen 2.759 N/A ASN 464.A ND2 GLU 304.A O no hydrogen 3.204 N/A TRP 465.A N PRO 462.A O no hydrogen 3.124 N/A TRP 465.A NE1 LYS 294.A O no hydrogen 3.005 N/A TYR 466.A N LEU 463.A O no hydrogen 3.072 N/A ARG 467.A N ASN 464.A O no hydrogen 2.751 N/A ARG 467.A NE PHE 387.A O no hydrogen 2.821 N/A ARG 467.A NE GLN 388.A O no hydrogen 3.207 N/A ARG 467.A NH1 GLU 394.A OE2 no hydrogen 2.998 N/A ARG 467.A NH1 ASN 464.A OD1 no hydrogen 3.243 N/A ARG 467.A NH2 PHE 387.A O no hydrogen 2.918 N/A ARG 467.A NH2 GLU 394.A OE1 no hydrogen 3.068 N/A ARG 467.A NH2 GLU 394.A OE2 no hydrogen 3.546 N/A ASN 468.A ND2 ILE 305.A O no hydrogen 2.917 N/A ASN 468.A ND2 ASN 464.A O no hydrogen 3.081 N/A ASN 472.A N ASN 468.A O no hydrogen 2.923 N/A TRP 473.A N MET 469.A O no hydrogen 3.067 N/A TRP 473.A NE1 ASN 366.A O no hydrogen 2.824 N/A LYS 474.A N GLU 470.A O no hydrogen 3.117 N/A TRP 475.A N ARG 471.A O no hydrogen 2.955 N/A ALA 476.A N ASN 472.A O no hydrogen 2.849 N/A CYS 477.A N TRP 473.A O no hydrogen 3.061 N/A CYS 477.A SG TRP 473.A O no hydrogen 3.559 N/A LYS 478.A N TRP 475.A O no hydrogen 2.889 N/A SER 479.A N ALA 476.A O no hydrogen 2.937 N/A SER 479.A OG ALA 476.A O no hydrogen 3.050 N/A LEU 480.A N CYS 477.A O no hydrogen 3.434 N/A ARG 482.A N SER 479.A O no hydrogen 3.144 N/A ILE 484.A N TRP 510.A O no hydrogen 2.824 N/A LEU 489.A N VAL 355.A O no hydrogen 3.163 N/A MET 490.A N LYS 515.A O no hydrogen 2.774 N/A VAL 491.A N SER 357.A O no hydrogen 2.887 N/A THR 492.A N GLY 517.A O no hydrogen 2.922 N/A THR 492.A OG1 GLY 517.A O no hydrogen 3.187 N/A THR 492.A OG1 HIS 518.A ND1 no hydrogen 2.602 N/A GLU 494.A N ILE 519.A O no hydrogen 2.973 N/A LYS 495.A N CYS 522.A O no hydrogen 3.035 N/A LYS 495.A NZ ASP 521.A OD2 no hydrogen 2.852 N/A ASP 496.A N ALA 493.A O no hydrogen 2.905 N/A VAL 498.A N ASP 496.A OD1 no hydrogen 2.858 N/A LEU 499.A N ASP 496.A OD1 no hydrogen 2.916 N/A MET 503.A N VAL 500.A O no hydrogen 3.092 N/A SER 504.A N PRO 501.A O no hydrogen 3.263 N/A SER 504.A OG PRO 501.A O no hydrogen 2.576 N/A GLN 505.A N GLN 502.A O no hydrogen 2.808 N/A MET 507.A N SER 504.A O no hydrogen 2.895 N/A ASP 509.A N HIS 506.A O no hydrogen 2.919 N/A TRP 510.A N MET 507.A O no hydrogen 3.172 N/A ILE 511.A N MET 507.A O no hydrogen 2.849 N/A LEU 514.A N ILE 511.A O no hydrogen 3.204 N/A LYS 515.A N ALA 488.A O no hydrogen 2.979 N/A LYS 515.A NZ ASP 545.A OD1 no hydrogen 3.465 N/A LYS 515.A NZ ASP 545.A OD2 no hydrogen 2.591 N/A ARG 516.A NE GLU 508.A OE2 no hydrogen 2.753 N/A ARG 516.A NH1 SER 504.A OG no hydrogen 3.243 N/A ARG 516.A NH2 SER 504.A OG no hydrogen 3.429 N/A ARG 516.A NH2 GLU 508.A OE2 no hydrogen 2.780 N/A HIS 518.A ND1 THR 492.A OG1 no hydrogen 2.602 N/A ILE 519.A N THR 492.A O no hydrogen 2.908 N/A ASP 521.A N GLU 494.A OE1 no hydrogen 3.074 N/A CYS 522.A SG GLY 523.A O no hydrogen 3.543 N/A GLY 523.A N ASP 529.A OD2 no hydrogen 2.909 N/A HIS 524.A ND1 ASP 496.A OD2 no hydrogen 2.642 N/A THR 526.A OG1 ASN 359.A OD1 no hydrogen 2.595 N/A THR 526.A OG1 HIS 524.A O no hydrogen 3.435 N/A GLN 527.A N GLN 527.A OE1 no hydrogen 2.697 N/A ASP 529.A N TRP 525.A O no hydrogen 3.202 N/A ASP 529.A N THR 526.A O no hydrogen 2.938 N/A LYS 530.A N THR 526.A O no hydrogen 3.059 N/A LYS 530.A NZ ASP 529.A O no hydrogen 2.847 N/A LYS 530.A NZ ASP 529.A OD1 no hydrogen 3.389 N/A VAL 534.A N LYS 530.A O no hydrogen 2.981 N/A ASN 535.A N PRO 531.A O no hydrogen 2.984 N/A ASN 535.A ND2 TYR 276.A O no hydrogen 3.049 N/A GLN 536.A N THR 532.A O no hydrogen 2.963 N/A ILE 537.A N GLU 533.A O no hydrogen 2.877 N/A LEU 538.A N VAL 534.A O no hydrogen 2.978 N/A ILE 539.A N ASN 535.A O no hydrogen 2.791 N/A LYS 540.A N GLN 536.A O no hydrogen 3.184 N/A TRP 541.A N ILE 537.A O no hydrogen 3.197 N/A LEU 542.A N LEU 538.A O no hydrogen 2.896 N/A ASP 543.A N ILE 539.A O no hydrogen 2.987 N/A SER 544.A N LYS 540.A O no hydrogen 3.127 N/A SER 544.A OG LYS 540.A O no hydrogen 2.881 N/A SER 544.A OG TRP 541.A O no hydrogen 2.813 N/A SER 544.A OG ASP 545.A OD2 no hydrogen 2.972 N/A ASP 545.A N TRP 541.A O no hydrogen 2.786 N/A ALA 546.A N LEU 542.A O no hydrogen 2.732 N/A