Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4baa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A N GLU 269.A OE1 no hydrogen 2.763 N/A HIS 2.A ND1 GLU 269.A OE1 no hydrogen 2.665 N/A HIS 2.A NE2 GLU 237.A OE1 no hydrogen 3.143 N/A HIS 2.A NE2 GLU 237.A OE2 no hydrogen 2.600 N/A VAL 3.A N SER 1.A OG no hydrogen 3.373 N/A ASP 5.A N SER 1.A O no hydrogen 3.428 N/A ILE 6.A N HIS 2.A O no hydrogen 2.905 N/A LEU 7.A N VAL 3.A O no hydrogen 3.164 N/A GLY 8.A N LYS 4.A O no hydrogen 2.954 N/A LEU 9.A N ASP 5.A O no hydrogen 3.036 N/A ILE 10.A N ILE 6.A O no hydrogen 2.980 N/A ASN 11.A N LEU 7.A O no hydrogen 2.946 N/A ALA 12.A N GLY 8.A O no hydrogen 3.014 N/A PHE 13.A N LEU 9.A O no hydrogen 3.024 N/A ASN 14.A N ILE 10.A O no hydrogen 3.160 N/A GLU 15.A N ASN 11.A O no hydrogen 2.892 N/A VAL 16.A N ALA 12.A O no hydrogen 3.076 N/A ILE 19.A N LYS 42.A O no hydrogen 2.820 N/A VAL 21.A N ALA 44.A O no hydrogen 2.873 N/A THR 24.A N ASP 22.A OD1 no hydrogen 2.853 N/A THR 25.A N ASP 22.A OD1 no hydrogen 2.687 N/A THR 25.A OG1 ASP 22.A OD1 no hydrogen 3.124 N/A THR 25.A OG1 ASP 22.A OD2 no hydrogen 2.687 N/A THR 28.A N HIS 31.A ND1 no hydrogen 2.939 N/A VAL 29.A N GLU 326.A OE2 no hydrogen 3.145 N/A HIS 31.A N THR 28.A OG1 no hydrogen 3.421 N/A VAL 32.A N THR 28.A O no hydrogen 3.119 N/A ALA 33.A N VAL 29.A O no hydrogen 2.994 N/A ALA 34.A N ALA 30.A O no hydrogen 2.897 N/A LEU 35.A N HIS 31.A O no hydrogen 3.076 N/A ALA 36.A N VAL 32.A O no hydrogen 3.112 N/A ARG 37.A N ALA 33.A O no hydrogen 2.980 N/A ARG 37.A NH1 ASP 228.A OD1 no hydrogen 2.730 N/A ARG 37.A NH2 ASP 228.A OD1 no hydrogen 3.133 N/A ARG 37.A NH2 ASP 228.A OD2 no hydrogen 2.669 N/A ARG 38.A N ALA 34.A O no hydrogen 2.880 N/A ARG 38.A NH1 PHE 13.A O no hydrogen 2.710 N/A ARG 38.A NH1 VAL 16.A O no hydrogen 2.976 N/A ARG 38.A NH2 VAL 16.A O no hydrogen 3.147 N/A VAL 41.A N ARG 38.A O no hydrogen 3.279 N/A LYS 42.A N LYS 17.A O no hydrogen 3.265 N/A LYS 42.A NZ ASN 145.A O no hydrogen 2.796 N/A VAL 43.A N ASN 145.A OD1 no hydrogen 2.817 N/A ALA 44.A N ILE 19.A O no hydrogen 2.875 N/A LEU 45.A N GLU 141.A OE2 no hydrogen 2.751 N/A GLU 46.A N VAL 21.A O no hydrogen 3.087 N/A CYS 50.A SG GLU 46.A O no hydrogen 3.274 N/A ARG 51.A N ALA 47.A O no hydrogen 3.252 N/A ARG 51.A NH1 GLU 55.A OE2 no hydrogen 2.919 N/A ARG 53.A NH2 GLN 49.A O no hydrogen 2.751 N/A VAL 54.A N CYS 50.A O no hydrogen 3.093 N/A GLU 55.A N ARG 51.A O no hydrogen 3.113 N/A THR 56.A N ALA 52.A O no hydrogen 3.220 N/A THR 56.A OG1 ALA 52.A O no hydrogen 2.668 N/A CYS 57.A N ARG 53.A O no hydrogen 3.178 N/A CYS 57.A SG GLY 128.A O no hydrogen 3.367 N/A SER 58.A N VAL 54.A O no hydrogen 2.793 N/A SER 59.A N GLU 55.A O no hydrogen 2.964 N/A TRP 60.A N THR 56.A O no hydrogen 3.038 N/A TRP 60.A NE1 ASP 343.A OD1 no hydrogen 2.792 N/A VAL 61.A N CYS 57.A O no hydrogen 3.144 N/A GLN 62.A N SER 58.A O no hydrogen 3.248 N/A ARG 63.A N SER 59.A O no hydrogen 2.912 N/A ARG 63.A NE SER 59.A OG no hydrogen 3.090 N/A LYS 64.A N TRP 60.A O no hydrogen 2.975 N/A ALA 65.A N VAL 61.A O no hydrogen 3.014 N/A GLU 66.A N GLN 62.A O no hydrogen 3.188 N/A ASP 67.A N ARG 63.A O no hydrogen 3.139 N/A GLY 68.A N LYS 64.A O no hydrogen 3.112 N/A ALA 69.A N LYS 64.A O no hydrogen 2.922 N/A ILE 71.A N ALA 69.A O no hydrogen 2.857 N/A ILE 71.A N THR 75.A OG1 no hydrogen 2.999 N/A TYR 72.A N HIS 347.A NE2 no hydrogen 3.303 N/A GLY 73.A N THR 76.A OG1 no hydrogen 3.198 N/A VAL 74.A N ILE 71.A O no hydrogen 3.325 N/A THR 75.A N ILE 71.A O no hydrogen 3.076 N/A THR 75.A OG1 ALA 69.A O no hydrogen 2.671 N/A THR 75.A OG1 ILE 71.A O no hydrogen 3.161 N/A THR 76.A OG1 GLY 77.A O no hydrogen 3.068 N/A GLY 77.A N SER 84.A O no hydrogen 2.856 N/A GLY 79.A N TYR 72.A OH no hydrogen 2.780 N/A ALA 80.A N GLU 435.A OE2 no hydrogen 3.115 N/A CYS 81.A N PHE 78.A O no hydrogen 2.972 N/A CYS 81.A SG GLN 436.A OE1 no hydrogen 3.877 N/A SER 84.A N CYS 81.A O no hydrogen 3.193 N/A SER 84.A OG CYS 81.A O no hydrogen 3.552 N/A ARG 85.A NE ASP 70.A OD1 no hydrogen 2.693 N/A ARG 85.A NH1 SER 83.A O no hydrogen 2.909 N/A ARG 85.A NH2 ASP 70.A OD1 no hydrogen 3.380 N/A ARG 85.A NH2 ASP 70.A OD2 no hydrogen 2.732 N/A THR 86.A N THR 75.A O no hydrogen 2.927 N/A SER 90.A OG LEU 203.A O no hydrogen 2.706 N/A LEU 92.A N ARG 88.A O no hydrogen 3.207 N/A GLN 93.A NE2 GLY 73.A O no hydrogen 2.766 N/A GLU 94.A N SER 90.A O no hydrogen 3.437 N/A SER 95.A N GLU 91.A O no hydrogen 2.937 N/A SER 95.A OG GLU 91.A O no hydrogen 3.365 N/A SER 95.A OG LEU 92.A O no hydrogen 2.775 N/A ARG 98.A N GLU 94.A O no hydrogen 3.136 N/A ARG 98.A NH1 GLU 91.A OE2 no hydrogen 2.901 N/A ARG 98.A NH2 GLU 91.A OE2 no hydrogen 2.955 N/A CYS 99.A N SER 95.A O no hydrogen 3.022 N/A LEU 100.A N LEU 96.A O no hydrogen 3.024 N/A LEU 101.A N ILE 97.A O no hydrogen 2.945 N/A GLY 103.A N TYR 166.A OH no hydrogen 3.097 N/A LEU 109.A N VAL 152.A O no hydrogen 2.936 N/A THR 114.A N PRO 110.A O no hydrogen 2.998 N/A THR 114.A OG1 PRO 110.A O no hydrogen 2.900 N/A ARG 115.A N ALA 111.A O no hydrogen 2.794 N/A ARG 115.A NH1 LEU 35.A O no hydrogen 2.858 N/A ARG 115.A NH2 LEU 144.A O no hydrogen 3.054 N/A SER 116.A N THR 112.A O no hydrogen 3.000 N/A SER 116.A OG THR 112.A O no hydrogen 2.736 N/A ALA 117.A N ALA 113.A O no hydrogen 2.819 N/A MET 118.A N THR 114.A O no hydrogen 2.983 N/A LEU 119.A N ARG 115.A O no hydrogen 3.049 N/A LEU 120.A N SER 116.A O no hydrogen 3.044 N/A ARG 121.A N ALA 117.A O no hydrogen 2.973 N/A ARG 121.A NE ALA 210.A O no hydrogen 3.119 N/A ARG 121.A NE LEU 211.A O no hydrogen 3.254 N/A ARG 121.A NH1 ASN 333.A O no hydrogen 3.032 N/A ARG 121.A NH2 ALA 210.A O no hydrogen 2.758 N/A ARG 121.A NH2 ASN 333.A O no hydrogen 2.968 N/A LEU 122.A N MET 118.A O no hydrogen 3.018 N/A ASN 123.A N LEU 119.A O no hydrogen 2.951 N/A ASN 123.A ND2 VAL 329.A O no hydrogen 2.749 N/A SER 124.A N LEU 120.A O no hydrogen 3.088 N/A SER 124.A OG LEU 120.A O no hydrogen 3.428 N/A SER 124.A OG SER 331.A O no hydrogen 2.933 N/A PHE 125.A N ARG 121.A O no hydrogen 3.174 N/A THR 126.A OG1 ASN 123.A O no hydrogen 2.550 N/A TYR 127.A N SER 124.A O no hydrogen 3.410 N/A GLY 128.A N PHE 125.A O no hydrogen 3.136 N/A CYS 129.A SG TYR 127.A O no hydrogen 3.842 N/A SER 130.A OG ASP 334.A OD2 no hydrogen 3.123 N/A ARG 133.A N GLU 207.A OE2 no hydrogen 3.223 N/A ARG 133.A NE GLU 207.A OE1 no hydrogen 3.433 N/A ARG 133.A NE GLU 207.A OE2 no hydrogen 2.726 N/A ARG 133.A NH2 GLU 207.A OE1 no hydrogen 2.964 N/A TRP 134.A NE1 GLU 138.A OE2 no hydrogen 2.878 N/A VAL 136.A N ARG 133.A O no hydrogen 3.098 N/A GLU 138.A N TRP 134.A O no hydrogen 3.011 N/A ALA 139.A N GLU 135.A O no hydrogen 3.106 N/A LEU 140.A N VAL 136.A O no hydrogen 3.112 N/A GLU 141.A N MET 137.A O no hydrogen 3.123 N/A LYS 142.A N GLU 138.A O no hydrogen 2.955 N/A LEU 143.A N ALA 139.A O no hydrogen 2.842 N/A LEU 144.A N LEU 140.A O no hydrogen 3.042 N/A ASN 145.A N GLU 141.A O no hydrogen 3.017 N/A ASN 145.A ND2 VAL 43.A O no hydrogen 3.094 N/A SER 146.A OG LYS 142.A O no hydrogen 2.717 N/A ASN 147.A N LEU 144.A O no hydrogen 3.424 N/A VAL 148.A N LEU 143.A O no hydrogen 2.856 N/A SER 149.A N ARG 180.A O no hydrogen 3.355 N/A LYS 151.A N ILE 178.A O no hydrogen 2.759 N/A LYS 151.A NZ GLU 108.A OE1 no hydrogen 3.179 N/A LYS 151.A NZ GLU 108.A OE2 no hydrogen 3.150 N/A LYS 151.A NZ GLU 186.A OE1 no hydrogen 3.348 N/A LYS 151.A NZ GLU 186.A OE2 no hydrogen 3.059 N/A SER 157.A OG SER 159.A OG no hydrogen 3.105 N/A SER 157.A OG ASP 160.A OD1 no hydrogen 2.687 N/A SER 159.A N SER 157.A OG no hydrogen 2.979 N/A SER 159.A OG SER 157.A OG no hydrogen 3.105 N/A SER 159.A OG ASP 160.A OD1 no hydrogen 2.697 N/A ASP 160.A N GLY 214.A O no hydrogen 2.961 N/A LEU 164.A N ASP 160.A O no hydrogen 3.018 N/A ALA 165.A N LEU 161.A O no hydrogen 3.077 N/A ALA 165.A N ILE 162.A O no hydrogen 3.220 N/A ALA 168.A N LEU 164.A O no hydrogen 3.042 N/A GLY 169.A N ALA 165.A O no hydrogen 2.757 N/A LEU 170.A N TYR 166.A O no hydrogen 3.139 N/A LEU 171.A N ILE 167.A O no hydrogen 3.216 N/A ILE 172.A N ALA 168.A O no hydrogen 3.064 N/A GLY 173.A N LEU 170.A O no hydrogen 3.057 N/A LYS 174.A N GLY 169.A O no hydrogen 2.881 N/A VAL 177.A N LYS 174.A O no hydrogen 3.326 N/A ALA 179.A N VAL 187.A O no hydrogen 2.846 N/A ARG 180.A N SER 149.A O no hydrogen 2.739 N/A ARG 180.A NH2 GLU 108.A OE1 no hydrogen 2.742 N/A ILE 181.A N VAL 185.A O no hydrogen 2.853 N/A GLY 182.A N ASN 147.A O no hydrogen 3.192 N/A VAL 187.A N ALA 179.A O no hydrogen 3.117 N/A ALA 189.A N VAL 177.A O no hydrogen 2.790 N/A ALA 192.A N PRO 188.A O no hydrogen 3.111 N/A LEU 193.A N ALA 189.A O no hydrogen 3.155 N/A SER 194.A N PRO 190.A O no hydrogen 3.283 N/A ARG 195.A N GLU 191.A O no hydrogen 3.063 N/A ARG 195.A NH2 GLU 191.A OE2 no hydrogen 3.163 N/A VAL 196.A N LEU 193.A O no hydrogen 3.337 N/A GLY 197.A N SER 194.A O no hydrogen 3.262 N/A LEU 198.A N LEU 193.A O no hydrogen 2.677 N/A PHE 201.A N LEU 171.A O no hydrogen 2.980 N/A GLN 204.A N GLU 207.A OE1 no hydrogen 2.708 N/A GLN 204.A NE2 LYS 202.A O no hydrogen 2.765 N/A LYS 206.A NZ SER 130.A O no hydrogen 3.169 N/A LYS 206.A NZ ASP 334.A OD2 no hydrogen 3.295 N/A LYS 206.A NZ PRO 336.A O no hydrogen 3.347 N/A GLU 207.A N GLN 204.A O no hydrogen 3.222 N/A LEU 209.A N GLN 93.A OE1 no hydrogen 2.949 N/A ALA 210.A N LYS 206.A O no hydrogen 2.778 N/A LEU 211.A N GLU 207.A O no hydrogen 3.081 N/A LEU 211.A N GLY 208.A O no hydrogen 3.223 N/A VAL 212.A N GLY 208.A O no hydrogen 3.286 N/A VAL 212.A N LEU 209.A O no hydrogen 3.269 N/A ASN 213.A N LEU 209.A O no hydrogen 2.883 N/A THR 215.A N ASN 333.A OD1 no hydrogen 2.938 N/A THR 215.A OG1 THR 219.A OG1 no hydrogen 3.204 N/A THR 215.A OG1 GLU 328.A OE2 no hydrogen 2.697 N/A ALA 218.A N ASP 160.A OD2 no hydrogen 2.872 N/A THR 219.A N THR 215.A O no hydrogen 2.992 N/A THR 219.A OG1 THR 215.A O no hydrogen 2.716 N/A THR 219.A OG1 THR 215.A OG1 no hydrogen 3.204 N/A ALA 220.A N SER 216.A O no hydrogen 2.920 N/A VAL 221.A N PHE 217.A O no hydrogen 3.208 N/A ALA 222.A N ALA 218.A O no hydrogen 3.090 N/A SER 223.A N THR 219.A O no hydrogen 2.886 N/A SER 223.A N ALA 220.A O no hydrogen 3.110 N/A SER 223.A OG THR 219.A O no hydrogen 2.923 N/A THR 224.A N ALA 220.A O no hydrogen 3.319 N/A THR 224.A OG1 ALA 220.A O no hydrogen 3.388 N/A THR 224.A OG1 VAL 221.A O no hydrogen 2.925 N/A VAL 225.A N VAL 221.A O no hydrogen 2.825 N/A MET 226.A N ALA 222.A O no hydrogen 2.778 N/A TYR 227.A N SER 223.A O no hydrogen 2.976 N/A ASP 228.A N THR 224.A O no hydrogen 3.063 N/A ALA 229.A N VAL 225.A O no hydrogen 2.772 N/A ASN 230.A N MET 226.A O no hydrogen 3.133 N/A ASN 230.A ND2 MET 226.A O no hydrogen 2.672 N/A ASN 230.A ND2 THR 322.A OG1 no hydrogen 2.871 N/A VAL 231.A N TYR 227.A O no hydrogen 3.074 N/A LEU 232.A N ASP 228.A O no hydrogen 2.842 N/A LEU 233.A N ALA 229.A O no hydrogen 2.792 N/A LEU 234.A N ASN 230.A O no hydrogen 3.114 N/A LEU 235.A N VAL 231.A O no hydrogen 3.053 N/A VAL 236.A N LEU 232.A O no hydrogen 2.958 N/A GLU 237.A N LEU 233.A O no hydrogen 2.880 N/A THR 238.A N LEU 234.A O no hydrogen 2.972 N/A THR 238.A OG1 LEU 234.A O no hydrogen 2.723 N/A LEU 239.A N LEU 235.A O no hydrogen 3.035 N/A CYS 240.A N VAL 236.A O no hydrogen 3.140 N/A CYS 240.A N GLU 237.A O no hydrogen 3.295 N/A CYS 240.A SG VAL 236.A O no hydrogen 3.259 N/A GLY 241.A N THR 238.A O no hydrogen 2.846 N/A PHE 243.A N LEU 239.A O no hydrogen 3.070 N/A CYS 244.A N CYS 240.A O no hydrogen 3.130 N/A CYS 244.A SG GLN 284.A OE1 no hydrogen 3.359 N/A GLU 245.A N GLY 241.A O no hydrogen 3.308 N/A VAL 246.A N MET 242.A O no hydrogen 3.185 N/A ILE 247.A N PHE 243.A O no hydrogen 2.941 N/A GLY 249.A N CYS 244.A O no hydrogen 2.850 N/A ARG 250.A N ASP 300.A OD2 no hydrogen 2.696 N/A ARG 250.A NE ASP 300.A OD1 no hydrogen 2.910 N/A ARG 250.A NH1 PRO 297.A O no hydrogen 3.053 N/A ARG 250.A NH2 PRO 297.A O no hydrogen 3.195 N/A ARG 250.A NH2 ASP 300.A OD1 no hydrogen 2.947 N/A PHE 253.A N ARG 250.A O no hydrogen 3.395 N/A ALA 254.A N GLU 251.A O no hydrogen 3.125 N/A HIS 255.A N GLU 252.A O no hydrogen 3.179 N/A LEU 257.A N HIS 255.A ND1 no hydrogen 3.138 N/A ILE 258.A N HIS 255.A O no hydrogen 3.194 N/A HIS 259.A NE2 PHE 253.A O no hydrogen 2.715 N/A LYS 260.A N PRO 256.A O no hydrogen 2.901 N/A VAL 261.A N LEU 257.A O no hydrogen 3.068 N/A LYS 262.A N HIS 259.A O no hydrogen 3.328 N/A HIS 264.A N LYS 262.A O no hydrogen 2.810 N/A GLY 266.A N GLN 316.A OE1 no hydrogen 2.976 N/A GLN 267.A N HIS 264.A O no hydrogen 2.765 N/A GLN 267.A NE2 HIS 259.A ND1 no hydrogen 3.011 N/A ILE 268.A N HIS 264.A O no hydrogen 2.954 N/A GLU 269.A N PRO 265.A O no hydrogen 3.193 N/A SER 270.A N GLY 266.A O no hydrogen 3.179 N/A SER 270.A OG GLY 266.A O no hydrogen 2.953 N/A SER 270.A OG GLN 267.A O no hydrogen 2.985 N/A SER 270.A OG PRO 308.A O no hydrogen 3.551 N/A ALA 271.A N GLN 267.A O no hydrogen 3.123 N/A GLU 272.A N ILE 268.A O no hydrogen 2.941 N/A LEU 273.A N GLU 269.A O no hydrogen 3.359 N/A LEU 274.A N SER 270.A O no hydrogen 3.080 N/A GLU 275.A N ALA 271.A O no hydrogen 2.791 N/A TRP 276.A N GLU 272.A O no hydrogen 3.181 N/A LEU 277.A N LEU 273.A O no hydrogen 2.876 N/A LEU 278.A N GLU 275.A O no hydrogen 3.297 N/A ARG 279.A NE GLU 275.A OE2 no hydrogen 2.818 N/A ARG 279.A NH2 GLU 275.A OE1 no hydrogen 2.997 N/A ARG 279.A NH2 GLU 275.A OE2 no hydrogen 3.327 N/A SER 281.A N LEU 278.A O no hydrogen 3.408 N/A SER 281.A OG GLU 245.A OE2 no hydrogen 2.275 N/A GLN 284.A NE2 GLY 249.A O no hydrogen 2.693 N/A GLN 284.A NE2 GLU 251.A OE1 no hydrogen 2.676 N/A GLU 285.A N SER 281.A O no hydrogen 3.345 N/A LEU 286.A N PRO 282.A O no hydrogen 3.300 N/A SER 287.A N PHE 283.A O no hydrogen 2.876 N/A SER 287.A OG GLY 249.A O no hydrogen 2.905 N/A ARG 288.A N GLN 284.A O no hydrogen 3.144 N/A GLU 289.A N GLU 285.A O no hydrogen 3.174 N/A TYR 290.A N LEU 286.A O no hydrogen 2.889 N/A TYR 291.A N SER 287.A O no hydrogen 3.056 N/A TYR 291.A OH PHE 248.A O no hydrogen 2.775 N/A SER 292.A N ARG 288.A O no hydrogen 3.151 N/A SER 292.A OG ARG 288.A O no hydrogen 3.522 N/A SER 292.A OG GLU 289.A O no hydrogen 2.591 N/A LYS 296.A NZ TYR 290.A O no hydrogen 2.592 N/A LYS 296.A NZ ILE 293.A O no hydrogen 2.838 N/A LEU 304.A N ARG 301.A O no hydrogen 3.185 N/A ARG 305.A N ARG 301.A O no hydrogen 3.264 N/A ARG 305.A NE ASP 300.A O no hydrogen 2.659 N/A ARG 305.A NH2 ASP 300.A O no hydrogen 3.169 N/A SER 306.A N TYR 302.A O no hydrogen 2.789 N/A SER 307.A N LEU 304.A O no hydrogen 3.022 N/A SER 307.A OG LEU 304.A O no hydrogen 2.648 N/A GLN 309.A N GLN 309.A OE1 no hydrogen 2.741 N/A TRP 310.A N SER 306.A O no hydrogen 2.944 N/A TRP 310.A NE1 GLY 369.A O no hydrogen 2.860 N/A LEU 311.A N SER 307.A O no hydrogen 2.789 N/A ALA 312.A N PRO 308.A O no hydrogen 3.207 N/A VAL 315.A N LEU 311.A O no hydrogen 2.760 N/A GLN 316.A N ALA 312.A O no hydrogen 3.227 N/A THR 317.A N PRO 313.A O no hydrogen 3.027 N/A THR 317.A OG1 PRO 313.A O no hydrogen 2.709 N/A ILE 318.A N LEU 314.A O no hydrogen 3.205 N/A ARG 319.A N VAL 315.A O no hydrogen 2.912 N/A ARG 319.A NH1 ASN 230.A OD1 no hydrogen 2.643 N/A ASP 320.A N GLN 316.A O no hydrogen 2.829 N/A ALA 321.A N THR 317.A O no hydrogen 2.958 N/A THR 322.A N ILE 318.A O no hydrogen 3.158 N/A THR 322.A OG1 ILE 318.A O no hydrogen 2.692 N/A THR 323.A N ARG 319.A O no hydrogen 3.449 N/A THR 323.A OG1 ARG 319.A O no hydrogen 3.424 N/A THR 324.A N ASP 320.A O no hydrogen 3.207 N/A THR 324.A OG1 ASP 320.A O no hydrogen 3.385 N/A VAL 325.A N ALA 321.A O no hydrogen 3.044 N/A GLU 326.A N THR 322.A O no hydrogen 3.073 N/A THR 327.A N THR 323.A O no hydrogen 2.882 N/A THR 327.A OG1 THR 323.A O no hydrogen 2.960 N/A GLU 328.A N THR 324.A O no hydrogen 3.123 N/A VAL 329.A N VAL 325.A O no hydrogen 2.827 N/A ASN 330.A N GLU 326.A O no hydrogen 2.873 N/A SER 331.A OG GLU 328.A O no hydrogen 2.633 N/A ASN 333.A ND2 SER 331.A OG no hydrogen 3.322 N/A ILE 337.A N LEU 346.A O no hydrogen 2.798 N/A ILE 338.A N CYS 129.A O no hydrogen 3.045 N/A ASP 339.A N ARG 344.A O no hydrogen 2.888 N/A HIS 340.A NE2 GLY 128.A O no hydrogen 3.066 N/A ASN 342.A ND2 ASP 339.A OD1 no hydrogen 3.465 N/A ASN 342.A ND2 ASP 339.A OD2 no hydrogen 2.733 N/A ASP 343.A N HIS 340.A O no hydrogen 3.367 N/A ARG 344.A N ASP 339.A O no hydrogen 3.054 N/A LEU 346.A N ILE 337.A O no hydrogen 2.732 N/A GLY 348.A N ASN 335.A OD1 no hydrogen 2.719 N/A ASN 350.A ND2 ALA 332.A O no hydrogen 3.280 N/A GLN 352.A N ALA 349.A O no hydrogen 3.010 N/A GLN 352.A NE2 ILE 441.A O no hydrogen 3.356 N/A GLY 353.A N SER 159.A O no hydrogen 3.260 N/A GLY 357.A N GLY 353.A O no hydrogen 2.872 N/A PHE 358.A N SER 354.A O no hydrogen 2.962 N/A TYR 359.A N ALA 355.A O no hydrogen 3.417 N/A MET 360.A N VAL 356.A O no hydrogen 2.822 N/A ASP 361.A N GLY 357.A O no hydrogen 3.270 N/A TYR 362.A N PHE 358.A O no hydrogen 3.248 N/A VAL 363.A N TYR 359.A O no hydrogen 2.929 N/A ARG 364.A N MET 360.A O no hydrogen 3.259 N/A ARG 364.A NE LEU 423.A O no hydrogen 2.653 N/A ARG 364.A NH1 SER 448.A OG no hydrogen 3.056 N/A ARG 364.A NH1 THR 452.A OG1 no hydrogen 2.930 N/A ARG 364.A NH2 ASP 361.A OD1 no hydrogen 2.856 N/A ARG 364.A NH2 ASN 425.A O no hydrogen 2.742 N/A ILE 365.A N ASP 361.A O no hydrogen 3.476 N/A ALA 366.A N TYR 362.A O no hydrogen 3.076 N/A VAL 367.A N VAL 363.A O no hydrogen 2.716 N/A ALA 368.A N ARG 364.A O no hydrogen 2.952 N/A GLY 369.A N ILE 365.A O no hydrogen 2.955 N/A LEU 370.A N ALA 366.A O no hydrogen 2.875 N/A GLY 371.A N VAL 367.A O no hydrogen 2.979 N/A LYS 372.A N ALA 368.A O no hydrogen 2.981 N/A LEU 373.A N GLY 369.A O no hydrogen 3.257 N/A LEU 374.A N LEU 370.A O no hydrogen 3.114 N/A PHE 375.A N GLY 371.A O no hydrogen 2.928 N/A ALA 376.A N LYS 372.A O no hydrogen 2.945 N/A GLN 377.A N LEU 373.A O no hydrogen 3.015 N/A GLN 377.A NE2 ALA 303.A O no hydrogen 2.905 N/A PHE 378.A N LEU 374.A O no hydrogen 2.865 N/A THR 379.A N PHE 375.A O no hydrogen 2.842 N/A THR 379.A OG1 PHE 375.A O no hydrogen 2.618 N/A GLU 380.A N ALA 376.A O no hydrogen 3.129 N/A LEU 381.A N GLN 377.A O no hydrogen 3.099 N/A MET 382.A N PHE 378.A O no hydrogen 3.134 N/A MET 382.A N THR 379.A O no hydrogen 3.314 N/A ILE 383.A N GLU 380.A O no hydrogen 3.298 N/A GLU 384.A N GLU 384.A OE1 no hydrogen 2.759 N/A TYR 386.A N ILE 383.A O no hydrogen 2.913 N/A SER 387.A OG ILE 383.A O no hydrogen 3.197 N/A SER 387.A OG LEU 390.A O no hydrogen 3.044 N/A ASN 388.A ND2 ILE 247.A O no hydrogen 2.703 N/A ASN 393.A N MET 382.A O no hydrogen 2.951 N/A LEU 394.A N PRO 391.A O no hydrogen 3.039 N/A SER 395.A N GLY 392.A O no hydrogen 3.218 N/A SER 395.A OG GLY 392.A O no hydrogen 3.226 N/A SER 395.A OG ASP 403.A O no hydrogen 3.207 N/A GLY 397.A N ASP 403.A OD2 no hydrogen 2.995 N/A LEU 400.A N GLU 522.A OE2 no hydrogen 3.176 N/A SER 401.A N ASP 399.A OD1 no hydrogen 3.393 N/A SER 401.A OG ASP 399.A OD1 no hydrogen 2.638 N/A SER 401.A OG ASP 399.A OD2 no hydrogen 3.303 N/A GLY 405.A N ASP 403.A OD1 no hydrogen 2.920 N/A LEU 406.A N ASN 393.A O no hydrogen 2.781 N/A LYS 407.A N TYR 404.A O no hydrogen 3.257 N/A ASP 410.A N LEU 406.A O no hydrogen 2.855 N/A ILE 411.A N LYS 407.A O no hydrogen 2.951 N/A ALA 412.A N GLY 408.A O no hydrogen 3.040 N/A MET 413.A N LEU 409.A O no hydrogen 2.972 N/A ALA 415.A N ILE 411.A O no hydrogen 3.303 N/A TYR 416.A N ALA 412.A O no hydrogen 2.816 N/A SER 417.A N MET 413.A O no hydrogen 3.008 N/A SER 418.A N ALA 414.A O no hydrogen 2.899 N/A SER 418.A OG ALA 414.A O no hydrogen 2.708 N/A GLU 419.A N ALA 415.A O no hydrogen 3.246 N/A LEU 420.A N TYR 416.A O no hydrogen 2.934 N/A GLN 421.A N SER 417.A O no hydrogen 2.877 N/A GLN 421.A NE2 ALA 368.A O no hydrogen 2.953 N/A GLN 421.A NE2 SER 417.A O no hydrogen 3.655 N/A TYR 422.A N SER 418.A O no hydrogen 3.383 N/A LEU 423.A N GLU 419.A O no hydrogen 3.001 N/A ALA 424.A N LEU 420.A O no hydrogen 3.240 N/A ALA 424.A N GLN 421.A O no hydrogen 3.237 N/A ASN 425.A N TYR 422.A O no hydrogen 3.388 N/A VAL 427.A N ASP 361.A OD1 no hydrogen 3.097 N/A VAL 427.A N ASP 361.A OD2 no hydrogen 3.041 N/A THR 428.A N ASP 361.A OD2 no hydrogen 2.974 N/A THR 428.A OG1 ASP 361.A OD2 no hydrogen 2.753 N/A HIS 430.A N VAL 427.A O no hydrogen 2.995 N/A HIS 432.A ND1 HIS 430.A O no hydrogen 2.866 N/A SER 433.A OG HIS 437.A ND1 no hydrogen 2.748 N/A ALA 434.A N GLN 439.A O no hydrogen 3.067 N/A HIS 437.A ND1 SER 433.A OG no hydrogen 2.748 N/A ASN 438.A N GLU 435.A O no hydrogen 3.016 N/A ASN 438.A ND2 GLU 435.A OE1 no hydrogen 3.004 N/A GLN 439.A N ALA 434.A O no hydrogen 2.804 N/A ASN 442.A ND2 HIS 432.A O no hydrogen 2.899 N/A ASN 442.A ND2 GLN 439.A O no hydrogen 3.102 N/A SER 443.A OG SER 159.A O no hydrogen 2.695 N/A LEU 444.A N VAL 158.A O no hydrogen 2.798 N/A ALA 445.A N SER 443.A OG no hydrogen 3.241 N/A LEU 446.A N SER 159.A OG no hydrogen 3.043 N/A SER 448.A N LEU 444.A O no hydrogen 3.044 N/A SER 448.A OG GLY 357.A O no hydrogen 3.482 N/A SER 448.A OG ASP 361.A OD1 no hydrogen 2.693 N/A ALA 449.A N ALA 445.A O no hydrogen 2.812 N/A ARG 450.A N LEU 446.A O no hydrogen 2.859 N/A LYS 451.A N ILE 447.A O no hydrogen 3.144 N/A THR 452.A N SER 448.A O no hydrogen 2.973 N/A THR 452.A OG1 MET 360.A O no hydrogen 2.684 N/A THR 452.A OG1 SER 448.A O no hydrogen 3.090 N/A GLU 453.A N ALA 449.A O no hydrogen 2.909 N/A GLU 454.A N ARG 450.A O no hydrogen 3.031 N/A ALA 455.A N LYS 451.A O no hydrogen 2.900 N/A LEU 456.A N THR 452.A O no hydrogen 3.030 N/A ASP 457.A N GLU 453.A O no hydrogen 3.059 N/A ILE 458.A N GLU 454.A O no hydrogen 3.241 N/A LEU 459.A N ALA 455.A O no hydrogen 2.886 N/A LYS 460.A N LEU 456.A O no hydrogen 2.889 N/A LEU 461.A N ASP 457.A O no hydrogen 3.200 N/A MET 462.A N ILE 458.A O no hydrogen 3.120 N/A ILE 463.A N LEU 459.A O no hydrogen 2.910 N/A ALA 464.A N LYS 460.A O no hydrogen 2.998 N/A SER 465.A N LEU 461.A O no hydrogen 3.019 N/A SER 465.A OG LEU 461.A O no hydrogen 3.084 N/A HIS 466.A N MET 462.A O no hydrogen 2.953 N/A HIS 466.A NE2 GLN 377.A OE1 no hydrogen 2.996 N/A LEU 467.A N ILE 463.A O no hydrogen 2.880 N/A THR 468.A N ALA 464.A O no hydrogen 3.197 N/A THR 468.A OG1 ALA 464.A O no hydrogen 2.672 N/A ALA 469.A N SER 465.A O no hydrogen 3.008 N/A MET 470.A N HIS 466.A O no hydrogen 2.948 N/A CYS 471.A N LEU 467.A O no hydrogen 3.001 N/A CYS 471.A SG LEU 467.A O no hydrogen 3.361 N/A GLN 472.A N THR 468.A O no hydrogen 2.957 N/A GLN 472.A NE2 LEU 394.A O no hydrogen 2.943 N/A GLN 472.A NE2 MET 599.A O no hydrogen 3.146 N/A ALA 473.A N ALA 469.A O no hydrogen 2.789 N/A VAL 474.A N MET 470.A O no hydrogen 2.927 N/A ASP 475.A N CYS 471.A O no hydrogen 3.374 N/A LEU 476.A N GLN 472.A O no hydrogen 3.095 N/A ARG 477.A N ALA 473.A O no hydrogen 2.884 N/A ARG 477.A NE VAL 246.A O no hydrogen 2.746 N/A ARG 477.A NH1 ASN 388.A O no hydrogen 3.177 N/A ARG 477.A NH1 GLU 480.A OE1 no hydrogen 2.899 N/A ARG 477.A NH2 VAL 246.A O no hydrogen 3.094 N/A ARG 477.A NH2 ASN 388.A O no hydrogen 3.206 N/A GLN 478.A N VAL 474.A O no hydrogen 2.932 N/A GLN 478.A NE2 TYR 575.A OH no hydrogen 2.604 N/A LEU 479.A N ASP 475.A O no hydrogen 2.898 N/A GLU 480.A N LEU 476.A O no hydrogen 2.995 N/A GLU 481.A N ARG 477.A O no hydrogen 3.166 N/A ALA 482.A N GLN 478.A O no hydrogen 3.281 N/A LEU 483.A N LEU 479.A O no hydrogen 2.835 N/A VAL 484.A N GLU 480.A O no hydrogen 2.986 N/A LYS 485.A N GLU 481.A O no hydrogen 3.309 N/A VAL 486.A N ALA 482.A O no hydrogen 3.292 N/A VAL 487.A N LEU 483.A O no hydrogen 2.978 N/A GLU 488.A N VAL 484.A O no hydrogen 2.756 N/A ASN 489.A N LYS 485.A O no hydrogen 2.919 N/A VAL 490.A N VAL 486.A O no hydrogen 2.921 N/A VAL 491.A N VAL 487.A O no hydrogen 3.079 N/A SER 492.A N GLU 488.A O no hydrogen 3.132 N/A THR 493.A N ASN 489.A O no hydrogen 2.871 N/A THR 493.A OG1 ASN 489.A O no hydrogen 3.045 N/A THR 493.A OG1 VAL 490.A O no hydrogen 2.995 N/A LEU 494.A N VAL 490.A O no hydrogen 2.908 N/A ALA 495.A N VAL 491.A O no hydrogen 3.011 N/A GLU 497.A N THR 493.A O no hydrogen 3.015 N/A CYS 498.A N LEU 494.A O no hydrogen 2.953 N/A CYS 498.A SG LEU 494.A O no hydrogen 3.300 N/A GLY 499.A N ASP 496.A O no hydrogen 3.156 N/A LEU 500.A N ALA 495.A O no hydrogen 2.995 N/A THR 504.A OG1 THR 542.A OG1 no hydrogen 2.735 N/A LYS 505.A N PRO 501.A O no hydrogen 2.936 N/A LYS 505.A NZ SER 492.A OG no hydrogen 2.845 N/A ALA 506.A N ASN 502.A O no hydrogen 3.275 N/A ARG 507.A N ASP 503.A O no hydrogen 3.411 N/A ARG 507.A NE ASP 503.A OD1 no hydrogen 3.428 N/A ARG 507.A NE ASP 503.A OD2 no hydrogen 3.151 N/A ARG 507.A NH2 ASP 503.A OD1 no hydrogen 3.345 N/A ARG 507.A NH2 ASP 503.A OD2 no hydrogen 3.465 N/A LEU 508.A N THR 504.A O no hydrogen 3.223 N/A LEU 509.A N LYS 505.A O no hydrogen 3.076 N/A TYR 510.A N ALA 506.A O no hydrogen 3.090 N/A TYR 510.A OH ASP 294.A OD1 no hydrogen 2.799 N/A VAL 511.A N ARG 507.A O no hydrogen 3.295 N/A ALA 512.A N LEU 508.A O no hydrogen 3.252 N/A LYS 513.A N LEU 509.A O no hydrogen 3.183 N/A ALA 514.A N TYR 510.A O no hydrogen 2.859 N/A VAL 515.A N VAL 511.A O no hydrogen 3.060 N/A TYR 518.A OH LEU 476.A O no hydrogen 2.642 N/A THR 519.A N PRO 516.A O no hydrogen 3.184 N/A THR 519.A OG1 PRO 516.A O no hydrogen 2.616 N/A TYR 520.A N VAL 517.A O no hydrogen 3.240 N/A SER 523.A N TYR 520.A O no hydrogen 3.135 N/A CYS 525.A SG LEU 560.A O no hydrogen 3.382 N/A ASP 526.A N SER 523.A O no hydrogen 2.972 N/A THR 528.A N ASP 526.A OD1 no hydrogen 2.967 N/A THR 528.A OG1 ASP 526.A OD1 no hydrogen 2.616 N/A LEU 529.A N ASP 526.A O no hydrogen 3.093 N/A LEU 533.A N LEU 529.A O no hydrogen 3.198 N/A GLY 534.A N PRO 530.A O no hydrogen 3.073 N/A LEU 535.A N LEU 531.A O no hydrogen 2.936 N/A LYS 536.A N LEU 532.A O no hydrogen 2.857 N/A GLN 537.A N LEU 533.A O no hydrogen 2.985 N/A SER 538.A N GLY 534.A O no hydrogen 2.998 N/A SER 538.A OG GLY 534.A O no hydrogen 3.418 N/A CYS 539.A N LEU 535.A O no hydrogen 2.844 N/A CYS 539.A SG LEU 535.A O no hydrogen 3.205 N/A PHE 540.A N LYS 536.A O no hydrogen 3.136 N/A ASP 541.A N GLN 537.A O no hydrogen 3.082 N/A THR 542.A N SER 538.A O no hydrogen 2.935 N/A THR 542.A OG1 ASP 503.A OD2 no hydrogen 3.188 N/A THR 542.A OG1 THR 504.A OG1 no hydrogen 2.735 N/A LEU 544.A N PHE 540.A O no hydrogen 3.329 N/A ALA 545.A N ASP 541.A O no hydrogen 3.231 N/A LEU 546.A N THR 542.A O no hydrogen 3.087 N/A LEU 546.A N ILE 543.A O no hydrogen 3.281 N/A HIS 547.A N LEU 544.A O no hydrogen 3.334 N/A ARG 552.A N THR 548.A O no hydrogen 2.974 N/A ARG 552.A NH1 CYS 498.A O no hydrogen 3.054 N/A LEU 553.A N LEU 549.A O no hydrogen 3.037 N/A ALA 554.A N VAL 550.A O no hydrogen 2.826 N/A GLU 555.A N ASP 551.A O no hydrogen 3.129 N/A PHE 556.A N ARG 552.A O no hydrogen 3.288 N/A GLU 557.A N LEU 553.A O no hydrogen 3.078 N/A LYS 558.A N ALA 554.A O no hydrogen 3.187 N/A ARG 559.A N GLU 555.A O no hydrogen 2.858 N/A LEU 560.A N PHE 556.A O no hydrogen 3.084 N/A SER 561.A OG LYS 558.A O no hydrogen 2.772 N/A ASP 562.A N ARG 559.A O no hydrogen 3.367 N/A ARG 563.A N LEU 560.A O no hydrogen 3.338 N/A LEU 564.A N LEU 560.A O no hydrogen 3.016 N/A MET 568.A N LEU 564.A O no hydrogen 2.957 N/A THR 569.A N GLU 565.A O no hydrogen 3.076 N/A THR 569.A OG1 GLU 565.A O no hydrogen 2.802 N/A ALA 570.A N ASN 566.A O no hydrogen 3.034 N/A VAL 571.A N GLU 567.A O no hydrogen 3.315 N/A ARG 572.A N MET 568.A O no hydrogen 3.270 N/A ARG 572.A NH1 GLU 576.A OE2 no hydrogen 2.869 N/A VAL 573.A N THR 569.A O no hydrogen 2.775 N/A LEU 574.A N ALA 570.A O no hydrogen 3.127 N/A TYR 575.A N VAL 571.A O no hydrogen 3.313 N/A TYR 575.A OH ASP 475.A OD1 no hydrogen 2.724 N/A GLU 576.A N ARG 572.A O no hydrogen 3.123 N/A ARG 577.A NE PRO 282.A O no hydrogen 3.175 N/A ARG 577.A NH1 GLU 481.A OE2 no hydrogen 2.512 N/A ARG 577.A NH2 PRO 282.A O no hydrogen 3.052 N/A ILE 578.A N GLN 478.A OE1 no hydrogen 2.989 N/A SER 581.A N ILE 578.A O no hydrogen 2.989 N/A SER 581.A OG GLU 245.A OE1 no hydrogen 2.659 N/A SER 581.A OG GLU 245.A OE2 no hydrogen 3.208 N/A PHE 583.A N SER 581.A OG no hydrogen 3.256 N/A LEU 584.A N SER 581.A O no hydrogen 3.276 N/A PHE 586.A N PHE 583.A O no hydrogen 3.107 N/A TYR 587.A N PHE 583.A O no hydrogen 3.172 N/A TYR 587.A OH ASP 475.A OD1 no hydrogen 2.582 N/A ARG 588.A N LEU 584.A O no hydrogen 2.716 N/A PHE 589.A N PRO 585.A O no hydrogen 2.885 N/A VAL 590.A N PHE 586.A O no hydrogen 2.871 N/A ARG 591.A N TYR 587.A O no hydrogen 2.873 N/A ARG 591.A NE ASP 475.A OD2 no hydrogen 2.812 N/A ARG 591.A NH1 THR 596.A OG1 no hydrogen 3.243 N/A ARG 591.A NH2 ASP 475.A OD2 no hydrogen 3.082 N/A GLU 592.A N ARG 588.A O no hydrogen 3.060 N/A GLU 593.A N ARG 588.A O no hydrogen 3.451 N/A LEU 594.A N PHE 589.A O no hydrogen 3.032 N/A ASP 595.A N GLU 592.A O no hydrogen 3.151 N/A THR 596.A N ARG 591.A O no hydrogen 2.959 N/A THR 596.A OG1 VAL 590.A O no hydrogen 2.600 N/A MET 599.A N GLN 472.A OE1 no hydrogen 2.902 N/A ARG 602.A NE GLU 576.A OE1 no hydrogen 2.789 N/A ARG 602.A NH1 GLY 397.A O no hydrogen 3.095 N/A ARG 602.A NH2 GLY 397.A O no hydrogen 2.779 N/A ARG 602.A NH2 GLU 576.A OE2 no hydrogen 3.011 N/A ARG 603.A NE ASP 610.A OD2 no hydrogen 3.228 N/A ARG 603.A NH2 ASP 610.A OD1 no hydrogen 2.752 N/A ARG 603.A NH2 ASP 610.A OD2 no hydrogen 3.483 N/A GLN 605.A N GLN 605.A OE1 no hydrogen 2.971 N/A THR 606.A N GLU 609.A OE1 no hydrogen 2.793 N/A THR 606.A OG1 GLU 609.A OE1 no hydrogen 2.975 N/A GLU 609.A N THR 606.A OG1 no hydrogen 3.341 N/A ASP 610.A N THR 606.A O no hydrogen 3.224 N/A VAL 611.A N PRO 607.A O no hydrogen 2.906 N/A GLN 612.A N GLN 608.A O no hydrogen 2.851 N/A GLN 612.A NE2 GLN 612.A O no hydrogen 3.685 N/A GLN 612.A NE2 ASP 616.A OD1 no hydrogen 2.918 N/A LYS 613.A NZ LEU 594.A O no hydrogen 3.277 N/A LYS 613.A NZ ASP 595.A O no hydrogen 3.291 N/A PHE 615.A N VAL 611.A O no hydrogen 2.846 N/A ASP 616.A N GLN 612.A O no hydrogen 2.862 N/A ALA 617.A N LYS 613.A O no hydrogen 3.290 N/A ILE 618.A N VAL 614.A O no hydrogen 3.130 N/A ILE 618.A N PHE 615.A O no hydrogen 2.945 N/A ALA 619.A N PHE 615.A O no hydrogen 2.776 N/A ASP 620.A N ASP 616.A O no hydrogen 3.005 N/A ARG 622.A N ASP 620.A OD1 no hydrogen 3.007 N/A ARG 622.A NH1 ASP 620.A OD2 no hydrogen 2.819 N/A ILE 623.A N ALA 617.A O no hydrogen 2.910 N/A THR 624.A N GLY 621.A O no hydrogen 3.208 N/A THR 624.A OG1 GLY 621.A O no hydrogen 2.641 N/A VAL 625.A N ARG 622.A O no hydrogen 3.346 N/A LEU 627.A N ILE 623.A O no hydrogen 3.311 N/A LEU 628.A N THR 624.A O no hydrogen 2.829 N/A HIS 629.A N VAL 625.A O no hydrogen 2.981 N/A CYS 630.A N PRO 626.A O no hydrogen 2.978 N/A CYS 630.A SG LYS 582.A O no hydrogen 3.309 N/A LEU 631.A N LEU 627.A O no hydrogen 3.111 N/A GLN 632.A N HIS 629.A O no hydrogen 3.332 N/A PHE 634.A N LEU 631.A O no hydrogen 3.192 N/A