Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4fxy_P.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N SER 1.A OG no hydrogen 3.295 N/A ARG 8.A N ALA 5.A O no hydrogen 3.333 N/A ARG 8.A NE THR 4.A O no hydrogen 3.078 N/A ARG 8.A NH1 ARG 428.A O no hydrogen 3.315 N/A ARG 8.A NH2 THR 4.A O no hydrogen 3.082 N/A ARG 8.A NH2 VAL 394.A O no hydrogen 3.000 N/A ASN 9.A ND2 GLN 397.A OE1 no hydrogen 3.032 N/A LEU 11.A N ASN 9.A OD1 no hydrogen 2.943 N/A TRP 13.A N HIS 375.A NE2 no hydrogen 3.000 N/A TRP 13.A NE1 TYR 399.A OH no hydrogen 3.346 N/A SER 16.A N GLN 19.A OE1 no hydrogen 2.744 N/A SER 16.A OG GLN 19.A OE1 no hydrogen 3.042 N/A GLN 19.A N SER 16.A OG no hydrogen 3.158 N/A ILE 20.A N SER 16.A O no hydrogen 2.869 N/A LYS 21.A N PRO 17.A O no hydrogen 3.136 N/A THR 22.A N GLU 18.A O no hydrogen 3.127 N/A THR 22.A OG1 GLU 18.A O no hydrogen 2.452 N/A ARG 23.A N GLN 19.A O no hydrogen 2.967 N/A THR 24.A N ILE 20.A O no hydrogen 3.113 N/A THR 24.A OG1 ILE 20.A O no hydrogen 2.318 N/A GLU 25.A N LYS 21.A O no hydrogen 3.241 N/A GLN 26.A N THR 22.A O no hydrogen 3.007 N/A LEU 27.A N ARG 23.A O no hydrogen 3.089 N/A ILE 28.A N THR 24.A O no hydrogen 3.256 N/A ALA 29.A N GLU 25.A O no hydrogen 3.251 N/A GLN 30.A N GLN 26.A O no hydrogen 3.130 N/A THR 31.A N LEU 27.A O no hydrogen 2.928 N/A THR 31.A OG1 LEU 27.A O no hydrogen 2.567 N/A LYS 32.A N ILE 28.A O no hydrogen 3.037 N/A GLN 33.A N ALA 29.A O no hydrogen 3.387 N/A TYR 35.A N THR 31.A O no hydrogen 3.334 N/A ASP 36.A N LYS 32.A O no hydrogen 2.811 N/A THR 37.A N GLN 33.A O no hydrogen 2.739 N/A THR 37.A OG1 GLN 33.A O no hydrogen 3.006 N/A VAL 38.A N VAL 34.A O no hydrogen 2.994 N/A GLY 39.A N TYR 35.A O no hydrogen 2.958 N/A ILE 41.A N VAL 38.A O no hydrogen 3.060 N/A GLU 45.A N ALA 42.A O no hydrogen 2.724 N/A THR 47.A N ASN 50.A OD1 no hydrogen 2.509 N/A THR 47.A OG1 ASN 50.A OD1 no hydrogen 2.517 N/A TYR 48.A OH GLN 53.A OE1 no hydrogen 3.301 N/A ASN 50.A N THR 47.A OG1 no hydrogen 2.662 N/A ASN 50.A ND2 GLU 45.A O no hydrogen 3.577 N/A GLN 53.A N TYR 48.A O no hydrogen 3.048 N/A GLN 53.A NE2 ASP 57.A OD1 no hydrogen 2.910 N/A LEU 55.A N CYS 51.A O no hydrogen 3.285 N/A ALA 56.A N LEU 52.A O no hydrogen 3.231 N/A ASP 57.A N GLN 53.A O no hydrogen 2.928 N/A ILE 58.A N VAL 54.A O no hydrogen 3.267 N/A GLU 59.A N LEU 55.A O no hydrogen 3.149 N/A VAL 60.A N ALA 56.A O no hydrogen 3.182 N/A THR 61.A N ASP 57.A O no hydrogen 3.284 N/A THR 61.A OG1 ASP 57.A O no hydrogen 2.870 N/A TYR 62.A N ILE 58.A O no hydrogen 2.819 N/A TYR 62.A OH ASP 96.A OD2 no hydrogen 3.369 N/A ILE 63.A N GLU 59.A O no hydrogen 3.118 N/A VAL 64.A N VAL 60.A O no hydrogen 3.211 N/A GLU 65.A N THR 61.A O no hydrogen 3.374 N/A ARG 66.A N TYR 62.A O no hydrogen 2.930 N/A ARG 66.A NH1 ASP 70.A OD2 no hydrogen 3.537 N/A ARG 66.A NH1 ASP 89.A OD1 no hydrogen 2.683 N/A ARG 66.A NH2 ASP 96.A OD2 no hydrogen 2.401 N/A THR 67.A N ILE 63.A O no hydrogen 3.259 N/A THR 67.A OG1 ILE 63.A O no hydrogen 2.849 N/A THR 67.A OG1 LEU 417.A O no hydrogen 3.158 N/A LEU 69.A N ARG 66.A O no hydrogen 2.817 N/A ASP 70.A N ARG 66.A O no hydrogen 2.889 N/A GLN 73.A N SER 85.A OG no hydrogen 2.954 N/A GLN 73.A NE2 ASP 70.A O no hydrogen 2.770 N/A GLN 73.A NE2 ASP 89.A OD2 no hydrogen 3.306 N/A HIS 74.A N PHE 71.A O no hydrogen 3.020 N/A VAL 75.A N PRO 72.A O no hydrogen 3.439 N/A SER 76.A N PRO 72.A O no hydrogen 3.108 N/A ASP 78.A N SER 76.A OG no hydrogen 3.218 N/A VAL 81.A N ASP 78.A O no hydrogen 3.090 N/A ARG 82.A N ASP 78.A O no hydrogen 3.017 N/A ARG 82.A NH1 SER 76.A O no hydrogen 3.197 N/A ALA 83.A N ARG 79.A O no hydrogen 3.013 N/A ALA 84.A N GLU 80.A O no hydrogen 3.380 N/A SER 85.A N VAL 81.A O no hydrogen 3.093 N/A SER 85.A OG LEU 69.A O no hydrogen 2.630 N/A THR 86.A N ARG 82.A O no hydrogen 3.111 N/A THR 86.A OG1 GLN 73.A OE1 no hydrogen 3.482 N/A THR 86.A OG1 ARG 82.A O no hydrogen 2.613 N/A GLU 87.A N ALA 83.A O no hydrogen 3.121 N/A ALA 88.A N ALA 84.A O no hydrogen 2.849 N/A ASP 89.A N SER 85.A O no hydrogen 3.107 N/A LYS 90.A N THR 86.A O no hydrogen 3.072 N/A LYS 91.A N GLU 87.A O no hydrogen 2.914 N/A LEU 92.A N ALA 88.A O no hydrogen 2.736 N/A SER 93.A N ASP 89.A O no hydrogen 2.948 N/A SER 93.A OG ASP 89.A O no hydrogen 2.705 N/A SER 93.A OG ASP 89.A OD1 no hydrogen 3.549 N/A ARG 94.A N LYS 90.A O no hydrogen 3.036 N/A PHE 95.A N LYS 91.A O no hydrogen 3.355 N/A ASP 96.A N LEU 92.A O no hydrogen 3.114 N/A ASP 96.A N SER 93.A O no hydrogen 3.228 N/A ILE 97.A N SER 93.A O no hydrogen 3.173 N/A GLU 98.A N ARG 94.A O no hydrogen 3.346 N/A MET 99.A N PHE 95.A O no hydrogen 2.994 N/A SER 100.A N ASP 96.A O no hydrogen 2.799 N/A SER 100.A OG ILE 97.A O no hydrogen 2.531 N/A MET 101.A N GLU 98.A O no hydrogen 3.379 N/A ARG 102.A N MET 99.A O no hydrogen 3.249 N/A ARG 102.A NE ASP 104.A OD1 no hydrogen 3.211 N/A ARG 102.A NE ASP 104.A OD2 no hydrogen 3.357 N/A ARG 102.A NH2 ASP 36.A OD1 no hydrogen 2.387 N/A ARG 102.A NH2 ASP 104.A OD2 no hydrogen 2.974 N/A ASP 104.A N GLU 103.A OE1 no hydrogen 3.302 N/A PHE 106.A N ARG 102.A O no hydrogen 3.278 N/A GLN 107.A N GLU 103.A O no hydrogen 2.937 N/A ARG 108.A NE ILE 41.A O no hydrogen 2.674 N/A ARG 108.A NH1 ASP 104.A O no hydrogen 3.381 N/A ARG 108.A NH2 ILE 41.A O no hydrogen 3.031 N/A VAL 110.A N PHE 106.A O no hydrogen 3.293 N/A HIS 111.A N GLN 107.A O no hydrogen 3.408 N/A LEU 112.A N ARG 108.A O no hydrogen 3.264 N/A GLN 113.A N ILE 109.A O no hydrogen 3.143 N/A GLU 114.A N VAL 110.A O no hydrogen 3.035 N/A THR 115.A N HIS 111.A O no hydrogen 3.102 N/A THR 115.A OG1 HIS 111.A O no hydrogen 3.499 N/A THR 115.A OG1 LEU 112.A O no hydrogen 3.567 N/A CYS 116.A N LEU 112.A O no hydrogen 3.149 N/A CYS 116.A SG LEU 112.A O no hydrogen 3.398 N/A LYS 120.A N ASP 117.A O no hydrogen 3.513 N/A ARG 126.A N LYS 122.A O no hydrogen 2.892 N/A ARG 126.A NE LEU 118.A O no hydrogen 2.504 N/A ARG 126.A NH2 ILE 121.A O no hydrogen 2.833 N/A ARG 127.A N PRO 123.A O no hydrogen 3.086 N/A ARG 127.A NE GLY 637.A O no hydrogen 3.149 N/A ARG 127.A NH1 ASP 640.A OD1 no hydrogen 3.021 N/A ARG 127.A NH2 GLY 637.A O no hydrogen 2.624 N/A ARG 127.A NH2 ASP 640.A OD1 no hydrogen 3.467 N/A TYR 128.A N GLU 124.A O no hydrogen 2.921 N/A TYR 128.A OH GLU 59.A OE2 no hydrogen 2.254 N/A LEU 129.A N ALA 125.A O no hydrogen 3.227 N/A GLU 130.A N ARG 126.A O no hydrogen 2.984 N/A LYS 131.A N ARG 127.A O no hydrogen 3.063 N/A SER 132.A N TYR 128.A O no hydrogen 3.276 N/A SER 132.A N LEU 129.A O no hydrogen 3.243 N/A SER 132.A OG TYR 128.A O no hydrogen 2.558 N/A ILE 133.A N LEU 129.A O no hydrogen 3.170 N/A LYS 134.A N GLU 130.A O no hydrogen 3.075 N/A MET 135.A N LYS 131.A O no hydrogen 3.014 N/A GLY 136.A N SER 132.A O no hydrogen 3.236 N/A LYS 137.A N ILE 133.A O no hydrogen 3.126 N/A ARG 138.A N LYS 134.A O no hydrogen 3.138 N/A ARG 138.A N MET 135.A O no hydrogen 3.230 N/A ARG 138.A NH1 PHE 265.A O no hydrogen 2.716 N/A ARG 138.A NH1 GLU 268.A OE1 no hydrogen 3.180 N/A ARG 138.A NH2 PHE 265.A O no hydrogen 2.806 N/A ASN 139.A ND2 MET 135.A O no hydrogen 3.334 N/A LEU 141.A N GLY 136.A O no hydrogen 2.795 N/A LEU 143.A N GLY 140.A O no hydrogen 2.898 N/A ALA 146.A N SER 144.A OG no hydrogen 3.334 N/A ARG 148.A N SER 144.A O no hydrogen 3.435 N/A ARG 148.A NE LEU 143.A O no hydrogen 3.180 N/A ARG 148.A NE SER 144.A O no hydrogen 3.420 N/A ARG 148.A NH1 GLU 103.A OE2 no hydrogen 2.930 N/A ILE 151.A N ILE 147.A O no hydrogen 2.500 N/A LYS 152.A N ARG 148.A O no hydrogen 2.841 N/A SER 153.A N ASN 149.A O no hydrogen 3.360 N/A MET 154.A N GLU 150.A O no hydrogen 2.842 N/A LYS 155.A N ILE 151.A O no hydrogen 2.955 N/A LYS 155.A NZ ASN 139.A OD1 no hydrogen 3.159 N/A LYS 156.A N LYS 152.A O no hydrogen 3.240 N/A ARG 157.A N MET 154.A O no hydrogen 3.360 N/A ARG 157.A NE GLU 160.A OE2 no hydrogen 3.389 N/A MET 158.A N MET 154.A O no hydrogen 3.242 N/A SER 159.A N LYS 155.A O no hydrogen 3.137 N/A GLU 160.A N LYS 156.A O no hydrogen 3.332 N/A LEU 161.A N ARG 157.A O no hydrogen 2.861 N/A CYS 162.A N MET 158.A O no hydrogen 2.919 N/A CYS 162.A SG MET 158.A O no hydrogen 3.312 N/A ILE 163.A N SER 159.A O no hydrogen 3.002 N/A ASP 164.A N GLU 160.A O no hydrogen 2.981 N/A PHE 165.A N LEU 161.A O no hydrogen 2.889 N/A ASN 166.A ND2 ALA 589.A O no hydrogen 3.365 N/A LYS 167.A N ILE 163.A O no hydrogen 2.914 N/A LYS 167.A NZ ASN 168.A OD1 no hydrogen 3.491 N/A ASN 168.A N ASP 164.A O no hydrogen 2.937 N/A ASN 168.A ND2 ASN 239.A OD1 no hydrogen 3.093 N/A ASN 170.A N ASN 166.A O no hydrogen 2.867 N/A GLU 171.A N LYS 167.A O no hydrogen 3.038 N/A THR 174.A N ASP 172.A OD2 no hydrogen 3.334 N/A THR 174.A OG1 ASP 172.A OD1 no hydrogen 3.147 N/A THR 174.A OG1 ASP 172.A OD2 no hydrogen 2.942 N/A SER 175.A OG ASP 173.A O no hydrogen 3.421 N/A LEU 176.A N VAL 204.A O no hydrogen 3.132 N/A PHE 178.A N TYR 202.A O no hydrogen 2.926 N/A SER 179.A N GLU 182.A OE1 no hydrogen 3.081 N/A GLU 182.A N SER 179.A OG no hydrogen 3.272 N/A PHE 190.A N PRO 187.A O no hydrogen 3.197 N/A ILE 191.A N PRO 187.A O no hydrogen 3.179 N/A ASP 192.A N ASP 188.A O no hydrogen 2.949 N/A SER 193.A OG PHE 190.A O no hydrogen 2.338 N/A LEU 194.A N ILE 191.A O no hydrogen 3.258 N/A LYS 196.A NZ ASP 200.A O no hydrogen 3.397 N/A THR 197.A N LYS 201.A O no hydrogen 3.066 N/A GLU 199.A N THR 197.A OG1 no hydrogen 3.335 N/A ASP 200.A N THR 197.A O no hydrogen 3.145 N/A LYS 201.A N THR 197.A OG1 no hydrogen 3.385 N/A TYR 202.A N PHE 178.A O no hydrogen 2.662 N/A LYS 203.A N GLU 195.A O no hydrogen 2.992 N/A VAL 204.A N LEU 176.A O no hydrogen 2.928 N/A THR 205.A N HIS 210.A ND1 no hydrogen 2.985 N/A THR 205.A OG1 HIS 210.A ND1 no hydrogen 2.739 N/A LYS 207.A NZ LEU 169.A O no hydrogen 3.540 N/A LYS 207.A NZ ASP 172.A O no hydrogen 3.192 N/A HIS 210.A N LYS 207.A O no hydrogen 2.991 N/A TYR 211.A N LYS 207.A O no hydrogen 2.894 N/A PHE 212.A N TYR 208.A O no hydrogen 3.379 N/A MET 215.A N TYR 211.A O no hydrogen 3.135 N/A LYS 216.A N PHE 212.A O no hydrogen 3.151 N/A LYS 216.A N PRO 213.A O no hydrogen 3.157 N/A CYS 218.A N VAL 214.A O no hydrogen 3.097 N/A CYS 218.A SG GLU 182.A O no hydrogen 3.618 N/A CYS 218.A SG GLY 184.A O no hydrogen 3.731 N/A CYS 218.A SG VAL 220.A O no hydrogen 3.866 N/A CYS 219.A N GLY 184.A O no hydrogen 3.245 N/A THR 223.A N VAL 220.A O no hydrogen 3.233 N/A THR 223.A OG1 GLU 182.A O no hydrogen 2.559 N/A ARG 224.A N VAL 220.A O no hydrogen 3.335 N/A ARG 224.A NE TRP 322.A O no hydrogen 2.760 N/A ARG 224.A NH1 CYS 218.A O no hydrogen 2.812 N/A ARG 224.A NH2 ASP 323.A OD1 no hydrogen 2.444 N/A ARG 225.A N PRO 221.A O no hydrogen 2.931 N/A ARG 225.A NE GLU 222.A OE1 no hydrogen 2.943 N/A ARG 225.A NE GLU 222.A OE2 no hydrogen 3.450 N/A ARG 225.A NH2 GLU 222.A OE1 no hydrogen 2.815 N/A LYS 226.A N GLU 222.A O no hydrogen 3.127 N/A MET 227.A N THR 223.A O no hydrogen 3.097 N/A GLU 228.A N ARG 224.A O no hydrogen 3.087 N/A MET 229.A N ARG 225.A O no hydrogen 3.217 N/A ALA 230.A N LYS 226.A O no hydrogen 3.147 N/A PHE 231.A N MET 227.A O no hydrogen 2.948 N/A HIS 232.A N GLU 228.A O no hydrogen 3.053 N/A HIS 232.A ND1 GLU 228.A OE2 no hydrogen 2.542 N/A THR 233.A OG1 MET 229.A O no hydrogen 2.389 N/A THR 233.A OG1 ALA 230.A O no hydrogen 3.442 N/A ARG 234.A NE PHE 231.A O no hydrogen 2.759 N/A ARG 234.A NH2 PHE 231.A O no hydrogen 3.487 N/A CYS 235.A SG GLU 238.A OE1 no hydrogen 3.622 N/A LYS 236.A N THR 233.A O no hydrogen 3.286 N/A LYS 236.A NZ GLY 578.A O no hydrogen 3.401 N/A GLU 238.A N GLU 238.A OE2 no hydrogen 3.198 N/A ASN 239.A N CYS 235.A O no hydrogen 3.055 N/A ASN 239.A ND2 PHE 165.A O no hydrogen 3.160 N/A ASN 239.A ND2 ALA 583.A O no hydrogen 3.135 N/A THR 240.A OG1 LYS 236.A O no hydrogen 2.231 N/A LEU 243.A N ASN 239.A O no hydrogen 3.215 N/A GLN 244.A N THR 240.A O no hydrogen 3.013 N/A GLN 245.A N ILE 242.A O no hydrogen 3.067 N/A GLN 245.A NE2 ALA 241.A O no hydrogen 2.862 N/A LEU 246.A N ILE 242.A O no hydrogen 2.782 N/A LEU 247.A N LEU 243.A O no hydrogen 3.172 N/A LEU 249.A N GLN 245.A O no hydrogen 3.129 N/A ARG 250.A N LEU 246.A O no hydrogen 3.105 N/A ARG 250.A NH1 LEU 588.A O no hydrogen 2.973 N/A ARG 250.A NH2 LEU 588.A O no hydrogen 3.027 N/A ALA 251.A N LEU 247.A O no hydrogen 3.304 N/A GLN 252.A N PRO 248.A O no hydrogen 3.103 N/A VAL 253.A N LEU 249.A O no hydrogen 3.084 N/A ALA 254.A N ARG 250.A O no hydrogen 3.344 N/A LYS 255.A N ALA 251.A O no hydrogen 3.305 N/A LEU 256.A N GLN 252.A O no hydrogen 3.163 N/A LEU 257.A N VAL 253.A O no hydrogen 3.087 N/A GLY 258.A N LYS 255.A O no hydrogen 3.252 N/A TYR 259.A N ALA 254.A O no hydrogen 2.663 N/A TYR 259.A OH GLU 268.A OE1 no hydrogen 3.125 N/A TYR 259.A OH GLU 268.A OE2 no hydrogen 3.289 N/A THR 261.A OG1 ASP 264.A OD2 no hydrogen 2.867 N/A HIS 262.A NE2 ASP 593.A OD2 no hydrogen 2.829 N/A ALA 263.A N HIS 552.A O no hydrogen 3.044 N/A ASP 264.A N THR 261.A OG1 no hydrogen 3.126 N/A PHE 265.A N THR 261.A O no hydrogen 3.323 N/A VAL 266.A N HIS 262.A O no hydrogen 3.045 N/A LEU 267.A N ALA 263.A O no hydrogen 2.957 N/A LEU 269.A N VAL 266.A O no hydrogen 3.392 N/A ASN 270.A N LEU 267.A O no hydrogen 2.969 N/A THR 271.A N ASP 486.A OD1 no hydrogen 3.201 N/A THR 271.A N ASP 486.A OD2 no hydrogen 2.865 N/A THR 271.A OG1 ASP 486.A OD1 no hydrogen 3.107 N/A THR 271.A OG1 ASP 486.A OD2 no hydrogen 2.784 N/A SER 274.A N ALA 272.A O no hydrogen 2.479 N/A VAL 278.A N SER 274.A O no hydrogen 3.385 N/A ALA 279.A N THR 275.A O no hydrogen 2.806 N/A ALA 280.A N SER 276.A O no hydrogen 2.998 N/A PHE 281.A N ARG 277.A O no hydrogen 3.130 N/A LEU 282.A N VAL 278.A O no hydrogen 2.889 N/A ASP 283.A N ALA 279.A O no hydrogen 2.845 N/A ASP 284.A N ALA 280.A O no hydrogen 2.818 N/A SER 286.A OG LEU 282.A O no hydrogen 2.683 N/A SER 286.A OG ASP 283.A O no hydrogen 3.462 N/A GLN 287.A N ASP 283.A O no hydrogen 3.399 N/A LEU 289.A N LEU 285.A O no hydrogen 2.950 N/A GLY 293.A N LEU 289.A O no hydrogen 3.062 N/A GLU 294.A N LYS 290.A O no hydrogen 2.812 N/A ALA 295.A N PRO 291.A O no hydrogen 2.847 N/A GLU 296.A N LEU 292.A O no hydrogen 3.088 N/A ARG 297.A N GLY 293.A O no hydrogen 3.006 N/A GLU 298.A N GLU 294.A O no hydrogen 3.248 N/A PHE 299.A N ALA 295.A O no hydrogen 3.115 N/A ILE 300.A N GLU 296.A O no hydrogen 3.014 N/A LEU 301.A N ARG 297.A O no hydrogen 3.067 N/A SER 302.A N GLU 298.A O no hydrogen 3.405 N/A SER 302.A OG PHE 299.A O no hydrogen 3.046 N/A LEU 303.A N PHE 299.A O no hydrogen 3.158 N/A LYS 304.A N ILE 300.A O no hydrogen 3.142 N/A LYS 304.A N LEU 301.A O no hydrogen 3.064 N/A LYS 304.A NZ ASP 316.A OD1 no hydrogen 2.713 N/A LYS 304.A NZ ASP 316.A OD2 no hydrogen 3.092 N/A LYS 304.A NZ LYS 318.A O no hydrogen 3.096 N/A LYS 304.A NZ ASP 323.A OD2 no hydrogen 3.209 N/A LYS 305.A N LEU 301.A O no hydrogen 3.005 N/A LYS 306.A N SER 302.A O no hydrogen 3.184 N/A GLU 307.A N LEU 303.A O no hydrogen 2.881 N/A CYS 308.A N LYS 304.A O no hydrogen 2.940 N/A CYS 308.A SG LYS 304.A O no hydrogen 3.263 N/A CYS 308.A SG GLU 314.A O no hydrogen 3.398 N/A GLU 309.A N LYS 305.A O no hydrogen 3.258 N/A GLU 310.A N LYS 306.A O no hydrogen 3.128 N/A ARG 311.A N GLU 307.A O no hydrogen 2.863 N/A ARG 311.A NE GLU 307.A OE2 no hydrogen 2.894 N/A GLY 312.A N CYS 308.A O no hydrogen 3.260 N/A PHE 313.A N CYS 308.A O no hydrogen 2.694 N/A LYS 318.A N ASP 316.A OD1 no hydrogen 2.769 N/A ASN 320.A ND2 ASP 316.A OD2 no hydrogen 2.948 N/A ASN 320.A ND2 ASP 323.A OD2 no hydrogen 3.044 N/A ASP 323.A N ASN 320.A O no hydrogen 3.248 N/A TYR 326.A OH GLU 307.A OE2 no hydrogen 2.753 N/A TYR 327.A N ASP 323.A O no hydrogen 3.462 N/A MET 328.A N LEU 324.A O no hydrogen 3.098 N/A THR 329.A N HIS 325.A O no hydrogen 3.302 N/A THR 329.A OG1 HIS 325.A O no hydrogen 2.359 N/A GLN 330.A N TYR 326.A O no hydrogen 3.102 N/A THR 331.A N TYR 327.A O no hydrogen 3.099 N/A THR 331.A OG1 TYR 327.A O no hydrogen 2.716 N/A GLU 332.A N MET 328.A O no hydrogen 3.049 N/A GLU 333.A N GLN 330.A O no hydrogen 2.806 N/A LYS 335.A N THR 331.A O no hydrogen 3.174 N/A SER 337.A OG SER 337.A O no hydrogen 2.219 N/A LEU 343.A N ASP 339.A O no hydrogen 3.319 N/A TYR 346.A N LEU 343.A O no hydrogen 3.103 N/A TYR 346.A OH HIS 516.A NE2 no hydrogen 3.315 N/A PHE 347.A N LYS 344.A O no hydrogen 3.431 N/A VAL 352.A N PRO 348.A O no hydrogen 3.066 N/A THR 353.A N ILE 349.A O no hydrogen 3.260 N/A THR 353.A OG1 ILE 349.A O no hydrogen 2.544 N/A THR 353.A OG1 TYR 458.A OH no hydrogen 3.214 N/A GLU 354.A N GLU 350.A O no hydrogen 3.054 N/A GLY 355.A N VAL 351.A O no hydrogen 3.142 N/A LEU 356.A N VAL 352.A O no hydrogen 3.057 N/A LEU 356.A N THR 353.A O no hydrogen 3.323 N/A LEU 357.A N THR 353.A O no hydrogen 3.045 N/A ILE 359.A N GLY 355.A O no hydrogen 3.403 N/A TYR 360.A N LEU 356.A O no hydrogen 3.387 N/A GLN 361.A N LEU 357.A O no hydrogen 3.375 N/A GLN 361.A NE2 LEU 357.A O no hydrogen 2.965 N/A GLU 362.A N SER 358.A O no hydrogen 3.170 N/A LEU 363.A N ILE 359.A O no hydrogen 2.844 N/A LEU 364.A N TYR 360.A O no hydrogen 2.946 N/A GLY 365.A N GLN 361.A O no hydrogen 3.112 N/A LEU 366.A N GLN 361.A O no hydrogen 3.001 N/A SER 367.A N LYS 387.A O no hydrogen 2.819 N/A GLU 369.A N THR 385.A O no hydrogen 3.051 N/A VAL 371.A N LEU 383.A O no hydrogen 2.553 N/A ALA 374.A N PRO 372.A O no hydrogen 2.815 N/A TRP 377.A NE1 ASP 401.A OD2 no hydrogen 2.763 N/A SER 380.A N ASN 378.A OD1 no hydrogen 3.138 N/A SER 380.A OG ASN 378.A OD1 no hydrogen 2.259 N/A VAL 381.A N ASN 378.A O no hydrogen 3.329 N/A TYR 384.A N PHE 398.A O no hydrogen 3.017 N/A THR 385.A N GLU 369.A O no hydrogen 2.753 N/A VAL 386.A N GLY 396.A O no hydrogen 2.762 N/A LYS 387.A N SER 367.A O no hydrogen 2.934 N/A ASP 388.A N GLU 393.A O no hydrogen 2.909 N/A LYS 389.A N GLY 365.A O no hydrogen 2.900 N/A LYS 389.A NZ GLN 361.A O no hydrogen 3.439 N/A THR 391.A N ASP 388.A OD2 no hydrogen 2.611 N/A THR 391.A OG1 ASP 388.A OD2 no hydrogen 2.642 N/A GLY 392.A N ASP 388.A O no hydrogen 2.819 N/A GLU 393.A N THR 391.A OG1 no hydrogen 3.057 N/A VAL 394.A N SER 2.A O no hydrogen 3.095 N/A LEU 395.A N VAL 386.A O no hydrogen 2.950 N/A GLN 397.A N SER 431.A O no hydrogen 2.798 N/A GLN 397.A NE2 THR 385.A OG1 no hydrogen 3.388 N/A PHE 398.A N TYR 384.A O no hydrogen 3.137 N/A TYR 399.A N ALA 433.A O no hydrogen 2.995 N/A LEU 400.A N SER 382.A O no hydrogen 3.250 N/A ASP 401.A N LEU 435.A O no hydrogen 2.658 N/A ARG 405.A NE VAL 75.A O no hydrogen 3.182 N/A ARG 405.A NH1 ASP 401.A OD1 no hydrogen 3.107 N/A ARG 405.A NH2 VAL 75.A O no hydrogen 2.501 N/A ARG 405.A NH2 ASP 401.A OD2 no hydrogen 3.123 N/A LYS 408.A NZ ASP 401.A O no hydrogen 3.400 N/A LYS 408.A NZ ASP 401.A OD1 no hydrogen 3.254 N/A LYS 408.A NZ TYR 403.A O no hydrogen 2.865 N/A LYS 408.A NZ VAL 437.A O no hydrogen 2.309 N/A TYR 409.A N HIS 74.A O no hydrogen 2.916 N/A ASN 410.A N ASN 410.A OD1 no hydrogen 2.431 N/A ALA 413.A N VAL 436.A O no hydrogen 3.004 N/A PHE 415.A N ALA 434.A O no hydrogen 2.862 N/A LEU 417.A N VAL 432.A O no hydrogen 2.601 N/A GLN 418.A N VAL 432.A O no hydrogen 3.045 N/A GLN 418.A NE2 ARG 8.A O no hydrogen 3.311 N/A GLN 418.A NE2 MET 430.A O no hydrogen 2.759 N/A CYS 421.A SG LEU 422.A O no hydrogen 3.556 N/A LEU 423.A N SER 427.A O no hydrogen 2.508 N/A GLY 426.A N LEU 423.A O no hydrogen 3.033 N/A SER 427.A N ASP 425.A OD1 no hydrogen 3.322 N/A SER 427.A OG ARG 428.A O no hydrogen 3.319 N/A ARG 428.A NH1 THR 473.A O no hydrogen 3.549 N/A ARG 428.A NH2 THR 473.A O no hydrogen 2.935 N/A MET 429.A N CYS 421.A O no hydrogen 2.847 N/A SER 431.A N LEU 395.A O no hydrogen 3.047 N/A SER 431.A OG GLN 418.A O no hydrogen 3.542 N/A SER 431.A OG GLN 468.A O no hydrogen 2.749 N/A VAL 432.A N GLN 418.A O no hydrogen 3.041 N/A ALA 433.A N GLN 397.A O no hydrogen 2.857 N/A ALA 434.A N PHE 415.A O no hydrogen 2.721 N/A LEU 435.A N TYR 399.A O no hydrogen 2.894 N/A VAL 436.A N ALA 413.A O no hydrogen 2.893 N/A VAL 437.A N ASP 401.A O no hydrogen 2.806 N/A ASN 438.A ND2 TYR 409.A O no hydrogen 2.554 N/A PHE 439.A N LEU 402.A O no hydrogen 2.877 N/A GLN 441.A NE2 PRO 442.A O no hydrogen 3.668 N/A LEU 450.A N PHE 347.A O no hydrogen 2.815 N/A ARG 451.A N GLU 454.A OE2 no hydrogen 3.140 N/A ARG 451.A NE ASP 453.A OD1 no hydrogen 3.263 N/A ARG 451.A NE ASP 453.A OD2 no hydrogen 3.163 N/A ARG 451.A NH2 ASP 453.A OD2 no hydrogen 2.768 N/A HIS 452.A NE2 VAL 499.A O no hydrogen 2.930 N/A GLU 454.A N ARG 451.A O no hydrogen 2.944 N/A VAL 455.A N ARG 451.A O no hydrogen 3.192 N/A ARG 456.A N HIS 452.A O no hydrogen 3.061 N/A THR 457.A OG1 ASP 453.A O no hydrogen 3.218 N/A TYR 458.A N GLU 454.A O no hydrogen 2.996 N/A TYR 458.A OH THR 353.A OG1 no hydrogen 3.214 N/A PHE 459.A N VAL 455.A O no hydrogen 3.070 N/A HIS 460.A N ARG 456.A O no hydrogen 3.057 N/A HIS 460.A ND1 GLU 496.A OE1 no hydrogen 2.344 N/A HIS 460.A NE2 GLU 489.A OE1 no hydrogen 2.995 N/A GLU 461.A N THR 457.A O no hydrogen 2.960 N/A MET 466.A N PHE 462.A O no hydrogen 2.966 N/A HIS 467.A N GLY 463.A O no hydrogen 3.028 N/A GLN 468.A N HIS 464.A O no hydrogen 2.870 N/A GLN 468.A NE2 GLN 418.A O no hydrogen 2.916 N/A ILE 469.A N VAL 465.A O no hydrogen 2.984 N/A CYS 470.A N MET 466.A O no hydrogen 2.954 N/A GLN 472.A N LYS 634.A O no hydrogen 2.714 N/A GLN 472.A NE2 GLU 393.A OE1 no hydrogen 3.106 N/A THR 473.A N GLY 420.A O no hydrogen 3.329 N/A THR 473.A OG1 PHE 475.A O no hydrogen 2.780 N/A THR 473.A OG1 SER 479.A OG no hydrogen 2.658 N/A ASP 474.A N GLU 124.A OE1 no hydrogen 3.055 N/A ASP 474.A N GLU 124.A OE2 no hydrogen 2.923 N/A PHE 475.A N GLU 124.A OE2 no hydrogen 2.748 N/A ARG 477.A NE GLU 59.A OE1 no hydrogen 3.121 N/A ARG 477.A NH1 SER 132.A OG no hydrogen 2.518 N/A ARG 477.A NH2 GLU 59.A OE2 no hydrogen 3.506 N/A PHE 478.A N PHE 475.A O no hydrogen 3.303 N/A SER 479.A N ALA 476.A O no hydrogen 3.293 N/A SER 479.A OG THR 473.A OG1 no hydrogen 2.658 N/A ASN 482.A ND2 ALA 476.A O no hydrogen 3.493 N/A ASN 482.A ND2 ARG 477.A O no hydrogen 3.697 N/A VAL 483.A N THR 481.A O no hydrogen 2.691 N/A GLU 484.A N GLU 484.A OE2 no hydrogen 2.572 N/A PHE 487.A N GLU 484.A O no hydrogen 3.018 N/A VAL 490.A N PHE 487.A O no hydrogen 3.178 N/A SER 492.A OG GLU 489.A O no hydrogen 2.792 N/A SER 492.A OG GLU 489.A OE1 no hydrogen 2.989 N/A GLN 493.A N GLU 489.A O no hydrogen 3.046 N/A GLN 493.A NE2 GLU 489.A O no hydrogen 3.540 N/A GLN 493.A NE2 TYR 599.A O no hydrogen 3.193 N/A MET 494.A N VAL 490.A O no hydrogen 3.108 N/A GLU 496.A N GLN 493.A O no hydrogen 3.277 N/A ASN 497.A N MET 494.A O no hydrogen 3.422 N/A ASN 497.A ND2 MET 494.A O no hydrogen 3.130 N/A TRP 498.A N LEU 495.A O no hydrogen 3.410 N/A VAL 499.A N GLU 496.A O no hydrogen 3.234 N/A TRP 500.A N ASN 497.A O no hydrogen 3.355 N/A ASP 501.A N TRP 498.A O no hydrogen 3.222 N/A SER 504.A N ASP 501.A OD2 no hydrogen 3.009 N/A SER 504.A OG ASP 501.A OD2 no hydrogen 3.016 N/A LEU 505.A N ASP 501.A O no hydrogen 3.066 N/A ARG 506.A N ASP 503.A O no hydrogen 3.323 N/A ARG 506.A NH2 ASP 520.A OD1 no hydrogen 2.995 N/A LYS 507.A N SER 504.A O no hydrogen 3.066 N/A LEU 508.A N LEU 505.A O no hydrogen 3.204 N/A SER 509.A N LEU 505.A O no hydrogen 2.893 N/A SER 509.A OG LEU 505.A O no hydrogen 3.428 N/A LYS 510.A N TYR 346.A O no hydrogen 2.866 N/A HIS 511.A N HIS 516.A O no hydrogen 3.351 N/A LYS 513.A N HIS 511.A ND1 no hydrogen 3.261 N/A LYS 513.A NZ TYR 512.A OH no hydrogen 2.938 N/A GLY 515.A N ASP 514.A OD1 no hydrogen 2.392 N/A HIS 516.A N ASP 514.A OD1 no hydrogen 2.813 N/A HIS 516.A ND1 ASP 514.A OD1 no hydrogen 2.564 N/A GLU 521.A N THR 519.A OG1 no hydrogen 3.137 N/A LEU 523.A N THR 519.A O no hydrogen 3.163 N/A GLU 524.A N ASP 520.A O no hydrogen 3.215 N/A LYS 525.A N GLU 521.A O no hydrogen 3.005 N/A LYS 525.A NZ SER 337.A O no hydrogen 2.773 N/A LYS 525.A NZ SER 337.A OG no hydrogen 3.345 N/A LEU 526.A N LEU 522.A O no hydrogen 3.076 N/A VAL 527.A N LEU 523.A O no hydrogen 3.333 N/A ALA 528.A N GLU 524.A O no hydrogen 3.282 N/A SER 529.A N LEU 526.A O no hydrogen 2.827 N/A SER 529.A OG LYS 525.A O no hydrogen 3.515 N/A SER 529.A OG LEU 526.A O no hydrogen 2.313 N/A ARG 530.A NH1 ASN 497.A OD1 no hydrogen 3.226 N/A ARG 530.A NH2 ASN 497.A OD1 no hydrogen 2.538 N/A THR 534.A OG1 LEU 531.A O no hydrogen 2.926 N/A GLY 535.A N GLU 296.A OE1 no hydrogen 3.156 N/A LEU 536.A N GLU 296.A OE2 no hydrogen 2.865 N/A LEU 537.A N ASN 533.A O no hydrogen 3.035 N/A LEU 537.A N THR 534.A O no hydrogen 3.195 N/A THR 538.A N THR 534.A O no hydrogen 2.736 N/A THR 538.A N GLY 535.A O no hydrogen 3.221 N/A THR 538.A OG1 THR 534.A O no hydrogen 2.413 N/A LEU 539.A N GLY 535.A O no hydrogen 2.770 N/A GLN 541.A N THR 538.A O no hydrogen 3.334 N/A ILE 542.A N THR 538.A O no hydrogen 3.260 N/A VAL 543.A N LEU 539.A O no hydrogen 3.146 N/A LEU 544.A N ARG 540.A O no hydrogen 3.459 N/A SER 545.A N GLN 541.A O no hydrogen 3.008 N/A SER 545.A OG GLN 541.A O no hydrogen 3.072 N/A LYS 546.A N ILE 542.A O no hydrogen 2.648 N/A LYS 546.A NZ ASP 283.A OD1 no hydrogen 3.532 N/A VAL 547.A N VAL 543.A O no hydrogen 2.923 N/A ASP 548.A N LEU 544.A O no hydrogen 2.996 N/A GLN 549.A N SER 545.A O no hydrogen 2.967 N/A SER 550.A N LYS 546.A O no hydrogen 3.011 N/A SER 550.A N VAL 547.A O no hydrogen 3.206 N/A SER 550.A OG GLU 562.A OE1 no hydrogen 2.598 N/A LEU 551.A N VAL 547.A O no hydrogen 3.151 N/A HIS 552.A ND1 ASP 548.A O no hydrogen 2.685 N/A THR 553.A N SER 550.A O no hydrogen 3.123 N/A THR 553.A OG1 GLN 549.A O no hydrogen 2.707 N/A ASN 554.A N SER 550.A O no hydrogen 2.956 N/A THR 556.A N ASN 554.A OD1 no hydrogen 3.215 N/A THR 556.A OG1 ASN 554.A OD1 no hydrogen 2.503 N/A GLU 562.A N ASP 558.A O no hydrogen 3.179 N/A TYR 563.A N ALA 559.A O no hydrogen 3.118 N/A ALA 564.A N ALA 560.A O no hydrogen 3.041 N/A LYS 565.A N SER 561.A O no hydrogen 3.206 N/A LYS 565.A NZ TYR 566.A OH no hydrogen 3.448 N/A TYR 566.A N GLU 562.A O no hydrogen 2.996 N/A CYS 567.A N TYR 563.A O no hydrogen 3.054 N/A CYS 567.A SG TYR 563.A O no hydrogen 3.177 N/A THR 568.A N ALA 564.A O no hydrogen 3.373 N/A THR 568.A OG1 ALA 564.A O no hydrogen 2.674 N/A GLU 569.A N LYS 565.A O no hydrogen 3.213 N/A ILE 570.A N TYR 566.A O no hydrogen 2.846 N/A LEU 571.A N TYR 566.A O no hydrogen 3.461 N/A THR 576.A OG1 GLU 228.A OE1 no hydrogen 2.873 N/A THR 579.A N THR 576.A O no hydrogen 3.148 N/A THR 579.A OG1 THR 576.A O no hydrogen 2.397 N/A ASN 580.A N HIS 232.A O no hydrogen 2.635 N/A ALA 583.A N ASN 580.A O no hydrogen 3.127 N/A THR 584.A N MET 581.A O no hydrogen 2.836 N/A THR 584.A OG1 MET 581.A O no hydrogen 2.597 N/A PHE 585.A N PRO 582.A O no hydrogen 3.387 N/A GLY 590.A N HIS 587.A O no hydrogen 3.247 N/A GLY 594.A N ASP 548.A OD1 no hydrogen 2.575 N/A TYR 596.A N ASP 548.A OD2 no hydrogen 2.994 N/A TYR 596.A OH GLN 541.A OE1 no hydrogen 3.103 N/A TYR 597.A OH ASP 486.A OD2 no hydrogen 2.765 N/A GLY 598.A N GLN 595.A O no hydrogen 3.230 N/A LEU 600.A N TYR 597.A O no hydrogen 3.172 N/A TRP 601.A N TYR 597.A O no hydrogen 3.009 N/A TRP 601.A NE1 THR 271.A OG1 no hydrogen 3.082 N/A SER 602.A OG ASP 486.A O no hydrogen 2.637 N/A SER 602.A OG GLY 598.A O no hydrogen 3.389 N/A SER 606.A N SER 602.A O no hydrogen 3.313 N/A SER 606.A OG SER 602.A O no hydrogen 2.984 N/A SER 606.A OG GLU 603.A O no hydrogen 2.924 N/A MET 607.A N GLU 603.A O no hydrogen 2.863 N/A ASP 608.A N VAL 604.A O no hydrogen 3.069 N/A MET 609.A N PHE 605.A O no hydrogen 3.094 N/A PHE 610.A N SER 606.A O no hydrogen 3.153 N/A HIS 611.A N MET 607.A O no hydrogen 3.090 N/A SER 612.A N ASP 608.A O no hydrogen 3.004 N/A SER 612.A OG ASP 608.A O no hydrogen 2.365 N/A SER 612.A OG ASP 608.A OD1 no hydrogen 2.956 N/A PHE 614.A N PHE 610.A O no hydrogen 3.025 N/A LYS 615.A N PHE 610.A O no hydrogen 2.551 N/A ASN 621.A N GLY 618.A O no hydrogen 3.187 N/A GLU 623.A N ASN 621.A OD1 no hydrogen 3.332 N/A VAL 624.A N ASN 621.A OD1 no hydrogen 3.329 N/A GLY 625.A N ASN 621.A O no hydrogen 3.006 N/A LYS 627.A N GLU 623.A O no hydrogen 3.354 N/A TYR 628.A N VAL 624.A O no hydrogen 2.879 N/A ARG 629.A N GLY 625.A O no hydrogen 3.210 N/A ARG 629.A NH1 LEU 364.A O no hydrogen 2.857 N/A ARG 629.A NH1 GLY 365.A O no hydrogen 3.439 N/A ARG 629.A NH1 ASP 388.A OD1 no hydrogen 3.177 N/A ARG 629.A NH2 ASP 388.A OD1 no hydrogen 3.225 N/A ASN 630.A N MET 626.A O no hydrogen 2.903 N/A LEU 631.A N LYS 627.A O no hydrogen 3.177 N/A LYS 634.A N ARG 629.A O no hydrogen 2.949 N/A GLY 636.A N LEU 633.A O no hydrogen 3.394 N/A GLY 637.A N PHE 478.A O no hydrogen 2.773 N/A SER 638.A N PRO 635.A O no hydrogen 3.062 N/A SER 638.A OG PRO 635.A O no hydrogen 2.262 N/A GLY 641.A N GLU 484.A OE1 no hydrogen 2.923 N/A ASP 643.A N ASP 640.A O no hydrogen 3.249 N/A MET 644.A N ASP 640.A O no hydrogen 3.066 N/A LEU 645.A N GLY 641.A O no hydrogen 3.101 N/A GLN 646.A N MET 642.A O no hydrogen 3.233 N/A GLN 646.A NE2 MET 642.A O no hydrogen 3.033 N/A ASN 647.A N ASP 643.A O no hydrogen 2.936 N/A PHE 648.A N LEU 645.A O no hydrogen 3.095 N/A LEU 649.A N LEU 645.A O no hydrogen 3.008 N/A ARG 651.A NH1 ASP 608.A OD2 no hydrogen 2.932 N/A ARG 651.A NH1 GLU 652.A O no hydrogen 3.361 N/A ARG 651.A NH2 ASP 608.A OD1 no hydrogen 3.334 N/A ASN 654.A N ASP 608.A OD2 no hydrogen 3.332 N/A LEU 659.A N GLN 655.A O no hydrogen 2.858 N/A MET 660.A N LYS 656.A O no hydrogen 3.022 N/A SER 661.A N ALA 657.A O no hydrogen 2.893 N/A ARG 662.A N PHE 658.A O no hydrogen 3.317 N/A ARG 662.A NH1 GLU 603.A OE2 no hydrogen 2.864 N/A ARG 662.A NH1 SER 661.A OG no hydrogen 3.427 N/A ARG 662.A NH2 GLU 603.A OE1 no hydrogen 3.485 N/A LEU 664.A N LEU 659.A O no hydrogen 2.573 N/A