Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gyx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N THR 524.A O no hydrogen 3.156 N/A SER 4.A OG THR 524.A O no hydrogen 3.424 N/A LYS 5.A N ILE 2.A O no hydrogen 2.934 N/A GLU 6.A N PRO 3.A O no hydrogen 3.005 N/A ILE 17.A N ASN 215.A O no hydrogen 3.126 N/A VAL 19.A N VAL 217.A O no hydrogen 2.766 N/A HIS 21.A N ILE 219.A O no hydrogen 2.829 N/A VAL 23.A N LYS 221.A O no hydrogen 3.061 N/A ASP 24.A N LYS 53.A O no hydrogen 2.858 N/A LEU 25.A N LYS 53.A O no hydrogen 2.945 N/A LEU 26.A N ALA 224.A O no hydrogen 3.137 N/A MET 27.A N LEU 55.A O no hydrogen 2.728 N/A VAL 28.A N VAL 226.A O no hydrogen 2.889 N/A GLY 29.A N VAL 57.A O no hydrogen 2.717 N/A ASN 34.A ND2 VAL 28.A O no hydrogen 2.771 N/A ASN 34.A ND2 GLY 29.A O no hydrogen 2.628 N/A CYS 35.A N GLY 31.A O no hydrogen 3.368 N/A CYS 35.A SG GLY 30.A O no hydrogen 3.525 N/A GLY 36.A N GLY 33.A O no hydrogen 3.248 N/A ALA 37.A N GLY 33.A O no hydrogen 3.120 N/A ALA 38.A N ASN 34.A O no hydrogen 2.740 N/A GLU 40.A N GLY 36.A O no hydrogen 3.208 N/A ALA 41.A N ALA 37.A O no hydrogen 2.892 N/A VAL 42.A N ALA 38.A O no hydrogen 3.156 N/A TRP 44.A N GLU 40.A O no hydrogen 3.379 N/A TRP 44.A NE1 GLU 40.A OE1 no hydrogen 2.789 N/A ALA 45.A N ALA 41.A O no hydrogen 2.847 N/A ASP 46.A N VAL 42.A O no hydrogen 2.684 N/A TYR 48.A N TRP 44.A O no hydrogen 2.993 N/A ALA 49.A N ALA 45.A O no hydrogen 2.744 N/A GLU 51.A N GLU 51.A OE1 no hydrogen 2.783 N/A ALA 52.A N ALA 49.A O no hydrogen 3.148 N/A LYS 53.A N ASP 24.A OD1 no hydrogen 2.607 N/A LYS 53.A NZ SER 22.A O no hydrogen 3.341 N/A LYS 53.A NZ SER 22.A OG no hydrogen 3.246 N/A LEU 55.A N LEU 25.A O no hydrogen 2.827 N/A LEU 56.A N ARG 184.A O no hydrogen 2.743 N/A VAL 57.A N MET 27.A O no hydrogen 2.775 N/A ASP 58.A N ILE 186.A O no hydrogen 3.449 N/A LYS 59.A NZ GLU 594.A OE1 no hydrogen 3.099 N/A ALA 60.A N ASP 58.A OD1 no hydrogen 2.917 N/A LEU 62.A N GLU 187.A OE2 no hydrogen 2.718 N/A ARG 64.A N SER 61.A O no hydrogen 3.248 N/A ARG 64.A NH1 GLU 166.A OE1 no hydrogen 2.767 N/A ARG 64.A NH2 ALA 69.A O no hydrogen 2.809 N/A ARG 64.A NH2 GLU 166.A O no hydrogen 3.100 N/A SER 65.A N SER 61.A O no hydrogen 3.043 N/A SER 65.A OG GLY 30.A O no hydrogen 3.525 N/A SER 65.A OG ASP 58.A OD1 no hydrogen 3.204 N/A ALA 69.A N GLY 66.A O no hydrogen 3.230 N/A GLY 71.A N VAL 68.A O no hydrogen 2.988 N/A LEU 72.A N GLY 165.A O no hydrogen 2.630 N/A SER 73.A OG ASP 379.A OD2 no hydrogen 3.036 N/A ILE 75.A N ILE 161.A O no hydrogen 2.835 N/A THR 77.A OG1 HIS 467.A O no hydrogen 3.325 N/A THR 77.A OG1 LYS 468.A O no hydrogen 3.130 N/A TYR 78.A N TRP 159.A O no hydrogen 3.054 N/A TYR 78.A OH HIS 116.A NE2 no hydrogen 2.876 N/A LEU 79.A N ASP 112.A OD1 no hydrogen 2.938 N/A GLY 80.A N ASP 112.A OD2 no hydrogen 2.811 N/A ASN 82.A N LEU 79.A O no hydrogen 3.313 N/A ASN 82.A ND2 LEU 79.A O no hydrogen 3.007 N/A ASN 83.A ND2 ASP 86.A OD1 no hydrogen 2.780 N/A ASP 86.A N ASN 83.A O no hydrogen 3.232 N/A TYR 87.A OH HIS 467.A O no hydrogen 2.565 N/A VAL 88.A N ALA 84.A O no hydrogen 3.374 N/A ARG 89.A N ASP 85.A O no hydrogen 2.944 N/A ARG 89.A NE ASP 86.A OD2 no hydrogen 3.017 N/A ARG 89.A NH1 ASP 86.A OD2 no hydrogen 2.720 N/A ARG 89.A NH2 PRO 661.A O no hydrogen 3.252 N/A MET 90.A N ASP 86.A O no hydrogen 3.020 N/A VAL 91.A N TYR 87.A O no hydrogen 3.195 N/A ARG 92.A N VAL 88.A O no hydrogen 2.982 N/A ARG 92.A NH1 GLU 101.A OE2 no hydrogen 3.295 N/A ARG 92.A NH1 ILE 660.A O no hydrogen 2.721 N/A ARG 92.A NH2 ILE 660.A O no hydrogen 3.011 N/A ARG 92.A NH2 PRO 661.A O no hydrogen 2.935 N/A THR 93.A N ARG 89.A O no hydrogen 3.237 N/A THR 93.A OG1 ARG 89.A O no hydrogen 3.129 N/A ASP 94.A N MET 90.A O no hydrogen 3.177 N/A LEU 95.A N VAL 91.A O no hydrogen 3.113 N/A MET 96.A N THR 93.A O no hydrogen 3.246 N/A GLY 97.A N ARG 92.A O no hydrogen 2.714 N/A ARG 100.A N ALA 464.A O no hydrogen 2.712 N/A LEU 103.A N ARG 100.A O no hydrogen 3.227 N/A LEU 103.A N ASP 102.A OD1 no hydrogen 2.819 N/A ILE 104.A N ARG 100.A O no hydrogen 3.334 N/A TYR 105.A N GLU 101.A O no hydrogen 2.927 N/A ASP 106.A N ASP 102.A O no hydrogen 2.949 N/A LEU 107.A N LEU 103.A O no hydrogen 2.999 N/A GLY 108.A N ILE 104.A O no hydrogen 2.954 N/A GLY 108.A N TYR 105.A O no hydrogen 2.870 N/A ARG 109.A N TYR 105.A O no hydrogen 3.125 N/A ARG 109.A NH1 HIS 110.A NE2 no hydrogen 3.541 N/A ARG 109.A NH2 GLU 429.A OE2 no hydrogen 3.447 N/A SER 114.A N VAL 111.A O no hydrogen 3.072 N/A VAL 115.A N VAL 111.A O no hydrogen 3.469 N/A HIS 116.A N ASP 112.A O no hydrogen 2.891 N/A LEU 117.A N ASP 113.A O no hydrogen 3.157 N/A PHE 118.A N SER 114.A O no hydrogen 2.864 N/A GLU 119.A N VAL 115.A O no hydrogen 3.178 N/A GLU 120.A N HIS 116.A O no hydrogen 3.377 N/A TRP 121.A N LEU 117.A O no hydrogen 2.972 N/A TRP 121.A N PHE 118.A O no hydrogen 3.014 N/A GLY 122.A N PHE 118.A O no hydrogen 3.162 N/A GLY 122.A N GLU 119.A O no hydrogen 2.954 N/A LEU 123.A N PHE 118.A O no hydrogen 3.207 N/A TRP 126.A N MET 162.A O no hydrogen 3.125 N/A TRP 126.A NE1 ASN 164.A OD1 no hydrogen 2.824 N/A ILE 127.A N LEU 135.A O no hydrogen 3.040 N/A LYS 128.A N LYS 152.A O no hydrogen 3.372 N/A LYS 128.A NZ GLY 132.A O no hydrogen 2.949 N/A LYS 128.A NZ ASN 134.A OD1 no hydrogen 2.750 N/A ASP 129.A N HIS 133.A O no hydrogen 3.160 N/A GLU 130.A N ASP 129.A OD2 no hydrogen 2.647 N/A HIS 131.A N ASP 129.A OD2 no hydrogen 3.060 N/A HIS 133.A N ASP 129.A OD2 no hydrogen 2.888 N/A ASN 134.A ND2 GLU 375.A OE1 no hydrogen 2.997 N/A ASN 134.A ND2 GLU 375.A OE2 no hydrogen 3.443 N/A LEU 135.A N ILE 127.A O no hydrogen 3.142 N/A GLN 139.A N ASP 136.A OD2 no hydrogen 3.214 N/A ALA 140.A N ASP 136.A O no hydrogen 2.802 N/A LYS 141.A N GLY 137.A O no hydrogen 3.082 N/A ALA 142.A N ALA 138.A O no hydrogen 3.145 N/A ALA 143.A N GLN 139.A O no hydrogen 2.797 N/A GLY 144.A N ALA 140.A O no hydrogen 3.015 N/A GLY 144.A N LYS 141.A O no hydrogen 3.038 N/A LYS 145.A N ALA 140.A O no hydrogen 2.755 N/A SER 146.A N ASP 151.A OD2 no hydrogen 2.807 N/A LEU 147.A N GLU 119.A OE1 no hydrogen 3.237 N/A LEU 147.A N GLU 119.A OE2 no hydrogen 2.972 N/A ARG 148.A N GLU 119.A OE2 no hydrogen 3.250 N/A ARG 148.A NH1 HIS 116.A O no hydrogen 3.183 N/A ASN 149.A N SER 146.A O no hydrogen 3.034 N/A ASN 149.A N SER 146.A OG no hydrogen 2.990 N/A GLY 150.A N LEU 147.A O no hydrogen 2.911 N/A LYS 152.A NZ GLY 80.A O no hydrogen 2.737 N/A VAL 154.A N TRP 126.A O no hydrogen 3.370 N/A ARG 155.A NE GLN 160.A O no hydrogen 3.062 N/A GLN 160.A N GLY 157.A O no hydrogen 3.058 N/A ILE 161.A N ILE 75.A O no hydrogen 2.741 N/A ILE 163.A N SER 73.A O no hydrogen 2.964 N/A ASN 164.A N PRO 124.A O no hydrogen 2.914 N/A SER 167.A OG GLU 166.A OE2 no hydrogen 2.778 N/A TYR 168.A OH SER 470.A OG no hydrogen 2.875 N/A LYS 169.A NZ GLY 30.A O no hydrogen 2.691 N/A LYS 169.A NZ LEU 62.A O no hydrogen 3.091 N/A LYS 169.A NZ SER 65.A O no hydrogen 2.728 N/A ILE 171.A N SER 167.A O no hydrogen 2.955 N/A VAL 172.A N TYR 168.A O no hydrogen 3.169 N/A ALA 173.A N LYS 169.A O no hydrogen 2.732 N/A GLU 174.A N VAL 170.A O no hydrogen 3.005 N/A ALA 175.A N ILE 171.A O no hydrogen 3.475 N/A ALA 176.A N VAL 172.A O no hydrogen 3.138 N/A LYS 177.A N ALA 173.A O no hydrogen 2.903 N/A ASN 178.A N GLU 174.A O no hydrogen 2.876 N/A ALA 179.A N ALA 175.A O no hydrogen 3.182 N/A LEU 180.A N ALA 176.A O no hydrogen 3.079 N/A GLY 181.A N LYS 177.A O no hydrogen 2.407 N/A ASP 183.A N GLY 181.A O no hydrogen 2.647 N/A ARG 184.A N GLY 181.A O no hydrogen 3.101 N/A ARG 184.A NH1 LEU 180.A O no hydrogen 3.187 N/A ILE 186.A N LEU 56.A O no hydrogen 3.071 N/A ARG 188.A N ALA 60.A O no hydrogen 3.160 N/A ILE 189.A N ASP 58.A O no hydrogen 2.894 N/A PHE 190.A N PHE 210.A O no hydrogen 2.887 N/A VAL 192.A N VAL 208.A O no hydrogen 2.705 N/A LYS 193.A N VAL 208.A O no hydrogen 3.303 N/A LEU 195.A N GLY 206.A O no hydrogen 2.878 N/A ASP 197.A N ARG 203.A O no hydrogen 2.541 N/A LYS 198.A N GLU 497.A O no hydrogen 2.844 N/A ASN 199.A N ASP 197.A OD2 no hydrogen 3.100 N/A ASN 199.A ND2 GLU 497.A OE1 no hydrogen 3.219 N/A THR 200.A N ASP 197.A OD2 no hydrogen 3.112 N/A THR 200.A OG1 ASP 197.A OD2 no hydrogen 3.429 N/A ASN 202.A ND2 THR 451.A O no hydrogen 2.692 N/A ARG 203.A NH1 ASN 223.A O no hydrogen 3.156 N/A ARG 203.A NH1 ASN 223.A OD1 no hydrogen 2.797 N/A ARG 203.A NH2 ASN 223.A O no hydrogen 3.218 N/A ILE 204.A N GLU 453.A O no hydrogen 3.081 N/A ALA 205.A N LEU 195.A O no hydrogen 2.864 N/A GLY 206.A N LEU 195.A O no hydrogen 2.759 N/A ALA 207.A N PHE 220.A O no hydrogen 2.917 N/A GLY 209.A N HIS 218.A O no hydrogen 3.006 N/A PHE 210.A N PHE 190.A O no hydrogen 2.791 N/A ASN 211.A N GLU 216.A O no hydrogen 3.094 N/A ASN 211.A ND2 GLU 216.A OE2 no hydrogen 3.223 N/A LEU 212.A N ARG 188.A O no hydrogen 3.038 N/A ARG 213.A N ASN 211.A OD1 no hydrogen 2.719 N/A ARG 213.A NH1 LEU 212.A O no hydrogen 3.130 N/A ASN 215.A ND2 TYR 510.A OH no hydrogen 2.637 N/A HIS 218.A N GLY 209.A O no hydrogen 2.877 N/A ILE 219.A N VAL 19.A O no hydrogen 3.189 N/A PHE 220.A N ALA 207.A O no hydrogen 2.812 N/A LYS 221.A N HIS 21.A O no hydrogen 2.772 N/A ALA 222.A N ALA 205.A O no hydrogen 2.876 N/A ASN 223.A N ASP 24.A O no hydrogen 3.240 N/A ASN 223.A ND2 HIS 491.A O no hydrogen 2.949 N/A ALA 224.A N ASP 24.A O no hydrogen 3.246 N/A MET 225.A N GLY 454.A O no hydrogen 3.302 N/A VAL 226.A N LEU 26.A O no hydrogen 3.218 N/A VAL 227.A N TRP 456.A O no hydrogen 2.953 N/A ALA 228.A N VAL 28.A O no hydrogen 3.061 N/A CYS 229.A N THR 258.A OG1 no hydrogen 2.594 N/A CYS 229.A SG VAL 28.A O no hydrogen 3.520 N/A GLY 231.A N ASN 254.A OD1 no hydrogen 3.152 N/A ALA 232.A N LEU 412.A O no hydrogen 2.658 N/A VAL 233.A N ASN 254.A O no hydrogen 2.896 N/A TYR 236.A OH GLY 550.A O no hydrogen 2.917 N/A ARG 237.A NH2 ASP 547.A OD2 no hydrogen 3.480 N/A ARG 239.A NE PRO 407.A O no hydrogen 2.990 N/A ARG 239.A NH2 PRO 407.A O no hydrogen 3.467 N/A GLY 246.A N GLU 243.A O no hydrogen 3.302 N/A ARG 247.A N GLY 244.A O no hydrogen 3.019 N/A ARG 247.A NE GLY 284.A O no hydrogen 3.179 N/A TRP 249.A N TYR 411.A OH no hydrogen 2.747 N/A TYR 250.A OH ASP 460.A OD2 no hydrogen 2.728 N/A ASN 254.A N PRO 251.A O no hydrogen 3.099 N/A GLY 256.A N GLY 231.A O no hydrogen 3.155 N/A SER 257.A OG HIS 597.A ND1 no hydrogen 2.753 N/A THR 258.A OG1 GLY 230.A O no hydrogen 3.159 N/A TYR 259.A OH CYS 420.A O no hydrogen 2.888 N/A TYR 259.A OH ASP 460.A O no hydrogen 2.708 N/A THR 260.A N GLY 256.A O no hydrogen 3.217 N/A THR 260.A OG1 GLY 256.A O no hydrogen 3.354 N/A THR 260.A OG1 SER 257.A O no hydrogen 3.431 N/A MET 261.A N SER 257.A O no hydrogen 2.747 N/A CYS 262.A SG THR 258.A O no hydrogen 3.293 N/A ALA 263.A N TYR 259.A O no hydrogen 3.086 N/A GLN 264.A N THR 260.A O no hydrogen 2.777 N/A VAL 265.A N CYS 262.A O no hydrogen 3.107 N/A GLY 266.A N ALA 263.A O no hydrogen 3.254 N/A ALA 267.A N CYS 262.A O no hydrogen 3.135 N/A GLU 268.A N THR 451.A OG1 no hydrogen 3.023 N/A MET 269.A N SER 640.A O no hydrogen 2.751 N/A THR 270.A N GLY 421.A O no hydrogen 2.797 N/A THR 270.A OG1 ASN 639.A OD1 no hydrogen 3.018 N/A MET 271.A N VAL 638.A O no hydrogen 3.125 N/A GLU 273.A N GLU 273.A OE1 no hydrogen 2.759 N/A ASN 274.A N MET 271.A O no hydrogen 2.869 N/A ARG 275.A NE HIS 605.A NE2 no hydrogen 3.368 N/A ARG 275.A NH1 GLY 551.A O no hydrogen 2.787 N/A ARG 275.A NH1 PHE 620.A O no hydrogen 3.252 N/A ARG 275.A NH2 GLY 550.A O no hydrogen 2.839 N/A ARG 275.A NH2 HIS 605.A NE2 no hydrogen 3.179 N/A PHE 276.A N TYR 411.A O no hydrogen 2.985 N/A ARG 280.A N MET 406.A O no hydrogen 3.312 N/A PHE 281.A N GLY 286.A O no hydrogen 3.313 N/A LYS 282.A N GLU 404.A O no hydrogen 2.765 N/A LYS 282.A NZ ASP 283.A OD2 no hydrogen 3.232 N/A GLY 284.A N LYS 282.A O no hydrogen 2.706 N/A TYR 285.A N PHE 281.A O no hydrogen 2.819 N/A GLY 286.A N GLN 387.A OE1 no hydrogen 2.862 N/A PHE 292.A N VAL 288.A O no hydrogen 3.427 N/A PHE 292.A N GLY 289.A O no hydrogen 3.088 N/A LEU 293.A N GLY 289.A O no hydrogen 3.077 N/A LEU 294.A N ALA 290.A O no hydrogen 2.817 N/A THR 300.A N TYR 350.A O no hydrogen 2.769 N/A THR 300.A OG1 TYR 350.A O no hydrogen 2.950 N/A ASN 301.A N GLU 305.A O no hydrogen 3.383 N/A ASN 301.A ND2 GLU 305.A OE1 no hydrogen 3.356 N/A CYS 302.A N ARG 346.A O no hydrogen 3.236 N/A CYS 302.A SG ARG 346.A O no hydrogen 3.460 N/A LYS 303.A N ASN 301.A OD1 no hydrogen 2.917 N/A GLY 304.A N ASN 301.A O no hydrogen 3.147 N/A GLU 305.A N ASN 301.A OD1 no hydrogen 3.322 N/A CYS 308.A N ASP 306.A OD1 no hydrogen 3.192 N/A THR 310.A N ASP 306.A O no hydrogen 3.116 N/A THR 310.A OG1 ASP 306.A O no hydrogen 3.240 N/A ASN 311.A N TYR 307.A O no hydrogen 2.887 N/A ARG 312.A N ALA 309.A O no hydrogen 3.396 N/A MET 314.A N ASN 311.A O no hydrogen 3.258 N/A LEU 315.A N ARG 312.A O no hydrogen 2.916 N/A LYS 316.A N ALA 313.A O no hydrogen 3.030 N/A TYR 318.A N LEU 315.A O no hydrogen 3.060 N/A GLU 319.A N LEU 315.A O no hydrogen 2.983 N/A GLU 320.A N LYS 316.A O no hydrogen 3.147 N/A GLY 322.A N GLU 319.A O no hydrogen 3.023 N/A TYR 323.A N TYR 318.A O no hydrogen 2.804 N/A TYR 323.A OH ASP 631.A OD2 no hydrogen 2.671 N/A LYS 325.A NZ GLU 319.A O no hydrogen 3.323 N/A THR 331.A OG1 ASP 94.A OD1 no hydrogen 3.168 N/A THR 331.A OG1 ASP 94.A OD2 no hydrogen 3.197 N/A CYS 332.A SG PRO 618.A O no hydrogen 3.521 N/A ARG 334.A N PRO 330.A O no hydrogen 3.026 N/A ARG 334.A N THR 331.A O no hydrogen 3.198 N/A ARG 334.A NE ILE 329.A O no hydrogen 3.312 N/A ASN 335.A N THR 331.A O no hydrogen 3.365 N/A ASN 335.A ND2 THR 331.A O no hydrogen 3.380 N/A ASN 335.A ND2 CYS 332.A O no hydrogen 2.695 N/A HIS 336.A N LEU 333.A O no hydrogen 3.304 N/A HIS 336.A ND1 TYR 622.A OH no hydrogen 2.896 N/A MET 342.A N MET 338.A O no hydrogen 3.294 N/A MET 342.A N LEU 339.A O no hydrogen 3.081 N/A ARG 343.A N LEU 339.A O no hydrogen 2.853 N/A GLU 344.A N ARG 340.A O no hydrogen 3.292 N/A GLY 345.A N MET 342.A O no hydrogen 2.796 N/A ARG 346.A N GLU 341.A O no hydrogen 2.878 N/A ARG 346.A NE GLU 341.A OE1 no hydrogen 2.625 N/A ARG 346.A NH1 GLU 341.A OE1 no hydrogen 2.683 N/A ARG 346.A NH1 GLU 344.A OE2 no hydrogen 3.544 N/A ARG 346.A NH2 GLU 344.A OE2 no hydrogen 3.338 N/A TYR 350.A N THR 300.A O no hydrogen 2.758 N/A MET 351.A N SER 403.A O no hydrogen 2.779 N/A THR 353.A OG1 PRO 398.A O no hydrogen 2.887 N/A THR 355.A N ASP 352.A OD2 no hydrogen 3.308 N/A THR 355.A OG1 ASP 352.A OD1 no hydrogen 2.510 N/A LEU 357.A N THR 353.A O no hydrogen 2.957 N/A GLN 358.A N LYS 354.A O no hydrogen 3.406 N/A THR 359.A N THR 355.A O no hydrogen 3.322 N/A THR 359.A OG1 THR 355.A O no hydrogen 3.223 N/A THR 359.A OG1 ALA 356.A O no hydrogen 3.056 N/A SER 360.A N ALA 356.A O no hydrogen 3.453 N/A SER 360.A OG ALA 356.A O no hydrogen 3.424 N/A SER 360.A OG LEU 357.A O no hydrogen 3.300 N/A PHE 361.A N LEU 357.A O no hydrogen 2.903 N/A ALA 362.A N THR 359.A O no hydrogen 3.375 N/A THR 363.A OG1 SER 360.A O no hydrogen 3.282 N/A GLN 368.A N SER 365.A OG no hydrogen 3.405 N/A LYS 370.A N PRO 366.A O no hydrogen 3.344 N/A GLU 373.A N GLN 369.A O no hydrogen 3.240 N/A ALA 374.A N LYS 370.A O no hydrogen 3.056 N/A GLU 375.A N HIS 371.A O no hydrogen 3.085 N/A ALA 376.A N LEU 372.A O no hydrogen 3.424 N/A TRP 377.A N GLU 373.A O no hydrogen 3.051 N/A ASP 379.A N ALA 376.A O no hydrogen 3.278 N/A PHE 380.A N TRP 377.A O no hydrogen 2.916 N/A LEU 381.A N TRP 377.A O no hydrogen 3.079 N/A ASP 382.A N GLU 378.A O no hydrogen 2.816 N/A MET 383.A N PHE 380.A O no hydrogen 2.990 N/A CYS 384.A N PHE 380.A O no hydrogen 2.580 N/A CYS 384.A SG GLY 284.A O no hydrogen 3.657 N/A VAL 385.A N GLN 70.A OE1 no hydrogen 3.204 N/A ASN 389.A N VAL 385.A O no hydrogen 3.006 N/A LEU 390.A N GLY 386.A O no hydrogen 3.145 N/A TRP 391.A N GLN 387.A O no hydrogen 3.012 N/A ALA 392.A N ALA 388.A O no hydrogen 2.933 N/A ALA 393.A N ASN 389.A O no hydrogen 2.867 N/A THR 394.A N LEU 390.A O no hydrogen 2.737 N/A THR 394.A OG1 LEU 390.A O no hydrogen 2.740 N/A CYS 396.A N TRP 391.A O no hydrogen 2.962 N/A CYS 396.A SG THR 394.A O no hydrogen 3.378 N/A CYS 396.A SG THR 394.A OG1 no hydrogen 3.213 N/A GLU 400.A N ALA 397.A O no hydrogen 2.895 N/A SER 403.A N MET 351.A O no hydrogen 3.142 N/A ILE 405.A N ILE 349.A O no hydrogen 2.846 N/A MET 406.A N ARG 280.A O no hydrogen 3.103 N/A THR 408.A N PRO 278.A O no hydrogen 2.973 N/A THR 408.A OG1 PRO 278.A O no hydrogen 2.914 N/A GLU 409.A N GLU 409.A OE1 no hydrogen 2.878 N/A TYR 411.A N PHE 276.A O no hydrogen 2.984 N/A TYR 411.A OH GLU 409.A OE2 no hydrogen 2.639 N/A LEU 412.A N ALA 232.A O no hydrogen 2.961 N/A GLY 414.A N ASP 460.A OD1 no hydrogen 3.064 N/A SER 415.A N ASP 460.A OD1 no hydrogen 2.822 N/A SER 415.A OG TYR 250.A OH no hydrogen 3.404 N/A SER 415.A OG ASP 460.A OD1 no hydrogen 2.790 N/A SER 417.A OG ASP 94.A OD2 no hydrogen 3.396 N/A CYS 420.A SG ASN 274.A O no hydrogen 3.403 N/A CYS 420.A SG LEU 413.A O no hydrogen 3.576 N/A GLY 421.A N THR 270.A O no hydrogen 3.025 N/A ILE 422.A N GLY 461.A O no hydrogen 2.762 N/A TRP 423.A N GLU 268.A O no hydrogen 2.859 N/A SER 425.A OG GLY 426.A O no hydrogen 3.421 N/A GLY 426.A N TYR 436.A O no hydrogen 2.743 N/A VAL 432.A N GLU 429.A O no hydrogen 3.420 N/A TYR 436.A N PRO 433.A O no hydrogen 3.351 N/A TYR 436.A OH TYR 657.A O no hydrogen 3.388 N/A LYS 437.A N GLU 434.A O no hydrogen 3.146 N/A LYS 437.A NZ ASP 428.A OD2 no hydrogen 2.691 N/A LYS 437.A NZ GLU 429.A O no hydrogen 2.944 N/A VAL 438.A N SER 425.A OG no hydrogen 2.820 N/A ARG 439.A NE GLY 443.A O no hydrogen 3.201 N/A ARG 439.A NH1 GLU 434.A OE1 no hydrogen 2.758 N/A ALA 440.A N LYS 444.A O no hydrogen 2.947 N/A ALA 441.A N GLU 453.A OE1 no hydrogen 2.674 N/A GLY 443.A N ALA 440.A O no hydrogen 2.792 N/A LYS 444.A N ASN 442.A OD1 no hydrogen 3.181 N/A LYS 444.A NZ ASP 490.A OD1 no hydrogen 2.911 N/A TYR 446.A OH ASP 490.A OD1 no hydrogen 2.705 N/A ASN 447.A N GLN 483.A OE1 no hydrogen 3.377 N/A ASN 447.A ND2 SER 425.A O no hydrogen 2.744 N/A ARG 448.A N SER 425.A O no hydrogen 2.781 N/A ARG 448.A NH2 LEU 103.A O no hydrogen 3.093 N/A ARG 448.A NH2 ASP 106.A OD2 no hydrogen 3.408 N/A THR 450.A N LEU 455.A O no hydrogen 2.904 N/A THR 450.A OG1 VAL 452.A O no hydrogen 2.976 N/A THR 450.A OG1 LEU 455.A O no hydrogen 2.934 N/A GLU 453.A N ASN 202.A O no hydrogen 2.938 N/A LEU 455.A N VAL 452.A O no hydrogen 3.330 N/A TRP 456.A N MET 225.A O no hydrogen 2.732 N/A TRP 456.A NE1 ASN 447.A O no hydrogen 2.848 N/A THR 457.A OG1 VAL 227.A O no hydrogen 2.683 N/A ALA 459.A N GLU 476.A OE2 no hydrogen 2.751 N/A GLY 463.A N ILE 422.A O no hydrogen 3.115 N/A ALA 464.A N CYS 419.A O no hydrogen 2.539 N/A SER 465.A OG GLY 463.A O no hydrogen 3.277 N/A HIS 467.A N HIS 416.A O no hydrogen 2.966 N/A LYS 468.A N SER 415.A O no hydrogen 2.744 N/A LYS 468.A NZ SER 465.A O no hydrogen 2.688 N/A LYS 468.A NZ SER 465.A OG no hydrogen 2.737 N/A PHE 469.A N SER 415.A O no hydrogen 3.090 N/A SER 470.A OG TYR 168.A OH no hydrogen 2.875 N/A SER 471.A OG THR 77.A O no hydrogen 3.485 N/A GLY 472.A N LYS 468.A O no hydrogen 2.919 N/A SER 473.A N PHE 469.A O no hydrogen 2.917 N/A SER 473.A OG PHE 469.A O no hydrogen 2.673 N/A ALA 475.A N SER 471.A O no hydrogen 2.901 N/A GLU 476.A N GLY 472.A O no hydrogen 2.793 N/A GLY 477.A N SER 473.A O no hydrogen 3.305 N/A ARG 478.A N HIS 474.A O no hydrogen 3.017 N/A ARG 478.A NE GLU 40.A OE2 no hydrogen 2.805 N/A ARG 478.A NH1 ASP 113.A OD1 no hydrogen 2.986 N/A ARG 478.A NH2 GLU 40.A OE2 no hydrogen 2.816 N/A ILE 479.A N ALA 475.A O no hydrogen 2.978 N/A VAL 480.A N GLU 476.A O no hydrogen 3.011 N/A GLY 481.A N GLY 477.A O no hydrogen 2.691 N/A LYS 482.A N ARG 478.A O no hydrogen 3.360 N/A GLN 483.A N ILE 479.A O no hydrogen 3.469 N/A MET 484.A N VAL 480.A O no hydrogen 2.941 N/A ARG 486.A N LYS 482.A O no hydrogen 2.928 N/A ARG 486.A NH2 VAL 445.A O no hydrogen 3.373 N/A ARG 486.A NH2 GLN 483.A OE1 no hydrogen 2.624 N/A TRP 487.A N GLN 483.A O no hydrogen 2.864 N/A TRP 487.A NE1 ASN 223.A OD1 no hydrogen 2.970 N/A TYR 488.A N MET 484.A O no hydrogen 2.972 N/A TYR 488.A OH GLU 51.A OE2 no hydrogen 2.946 N/A LEU 489.A N VAL 485.A O no hydrogen 3.280 N/A ASP 490.A N ARG 486.A O no hydrogen 3.279 N/A ASP 490.A N TRP 487.A O no hydrogen 3.122 N/A HIS 491.A N TRP 487.A O no hydrogen 2.964 N/A HIS 491.A N TYR 488.A O no hydrogen 3.064 N/A HIS 491.A ND1 TRP 487.A O no hydrogen 2.906 N/A LYS 492.A NZ TYR 488.A OH no hydrogen 3.256 N/A GLU 497.A N ASP 197.A OD1 no hydrogen 2.946 N/A THR 501.A N GLU 504.A OE2 no hydrogen 3.091 N/A LEU 505.A N THR 501.A O no hydrogen 3.094 N/A LYS 506.A N ALA 502.A O no hydrogen 3.077 N/A LYS 506.A NZ GLU 15.A OE2 no hydrogen 3.059 N/A LYS 506.A NZ TYR 514.A OH no hydrogen 2.815 N/A THR 507.A N GLU 503.A O no hydrogen 2.930 N/A THR 507.A OG1 GLU 503.A O no hydrogen 3.378 N/A THR 507.A OG1 GLU 504.A O no hydrogen 3.191 N/A LEU 508.A N GLU 504.A O no hydrogen 3.280 N/A LEU 508.A N LEU 505.A O no hydrogen 3.191 N/A ILE 509.A N LEU 505.A O no hydrogen 3.078 N/A TYR 510.A N LYS 506.A O no hydrogen 3.171 N/A ARG 511.A N LEU 508.A O no hydrogen 3.260 N/A TYR 514.A N TYR 510.A O no hydrogen 3.090 N/A TYR 514.A OH GLU 15.A OE2 no hydrogen 2.355 N/A ASN 515.A N ARG 511.A O no hydrogen 2.765 N/A ASN 515.A ND2 LEU 579.A O no hydrogen 2.850 N/A ASN 515.A ND2 LEU 581.A O no hydrogen 2.937 N/A TYR 516.A N PRO 512.A O no hydrogen 3.156 N/A GLU 517.A N TYR 513.A O no hydrogen 2.947 N/A LYS 518.A N TYR 514.A O no hydrogen 2.845 N/A GLY 519.A N ASN 515.A O no hydrogen 3.224 N/A GLY 519.A N TYR 516.A O no hydrogen 3.348 N/A ALA 522.A N GLY 519.A O no hydrogen 3.245 N/A SER 523.A N LYS 520.A O no hydrogen 3.487 N/A SER 523.A OG CYS 525.A O no hydrogen 2.864 N/A SER 523.A OG VAL 528.A O no hydrogen 2.651 N/A CYS 525.A N SER 523.A OG no hydrogen 3.092 N/A ASN 529.A ND2 GLY 519.A O no hydrogen 3.064 N/A GLU 531.A N ASN 529.A OD1 no hydrogen 2.819 N/A TYR 532.A OH PRO 526.A O no hydrogen 2.720 N/A ILE 533.A N LYS 580.A O no hydrogen 2.804 N/A LYS 536.A N SER 534.A OG no hydrogen 3.257 N/A PHE 538.A N SER 534.A O no hydrogen 2.957 N/A MET 539.A N PRO 535.A O no hydrogen 2.870 N/A MET 540.A N LYS 536.A O no hydrogen 3.260 N/A ARG 541.A N ASN 537.A O no hydrogen 2.936 N/A ARG 541.A NH1 ASP 577.A OD2 no hydrogen 2.784 N/A ARG 541.A NH2 ASP 577.A OD2 no hydrogen 3.082 N/A LEU 542.A N PHE 538.A O no hydrogen 3.043 N/A ILE 543.A N MET 539.A O no hydrogen 3.241 N/A LYS 544.A N MET 540.A O no hydrogen 3.048 N/A LYS 544.A NZ GLU 548.A OE1 no hydrogen 3.329 N/A LYS 544.A NZ GLU 548.A OE2 no hydrogen 3.084 N/A CYS 545.A N ARG 541.A O no hydrogen 3.241 N/A CYS 545.A SG GLY 567.A O no hydrogen 3.658 N/A THR 546.A N LEU 542.A O no hydrogen 2.909 N/A THR 546.A OG1 VAL 235.A O no hydrogen 2.655 N/A THR 546.A OG1 LEU 542.A O no hydrogen 3.536 N/A THR 546.A OG1 ILE 543.A O no hydrogen 2.988 N/A ASP 547.A N ILE 543.A O no hydrogen 3.083 N/A GLU 548.A N LYS 544.A O no hydrogen 3.097 N/A TYR 549.A N CYS 545.A O no hydrogen 3.074 N/A GLY 550.A N THR 546.A O no hydrogen 2.708 N/A GLY 552.A N ASP 547.A O no hydrogen 3.070 N/A GLY 554.A N ASP 547.A OD1 no hydrogen 3.124 N/A THR 555.A OG1 ASN 558.A O no hydrogen 3.356 N/A TYR 556.A N VAL 553.A O no hydrogen 2.932 N/A TYR 557.A N GLY 552.A O no hydrogen 2.891 N/A TYR 557.A OH THR 408.A O no hydrogen 2.613 N/A ASN 558.A N THR 555.A O no hydrogen 3.141 N/A THR 559.A N TYR 622.A O no hydrogen 2.959 N/A THR 559.A OG1 TYR 549.A O no hydrogen 3.113 N/A THR 559.A OG1 SER 560.A O no hydrogen 3.522 N/A LYS 561.A N ASP 625.A OD2 no hydrogen 3.093 N/A LYS 561.A NZ ASP 565.A OD1 no hydrogen 3.439 N/A LEU 563.A N SER 560.A OG no hydrogen 3.290 N/A LEU 564.A N SER 560.A O no hydrogen 2.984 N/A ASP 565.A N LYS 561.A O no hydrogen 3.009 N/A THR 566.A N ALA 562.A O no hydrogen 3.232 N/A THR 566.A OG1 ALA 562.A O no hydrogen 3.162 N/A GLY 567.A N LEU 563.A O no hydrogen 3.045 N/A PHE 568.A N LEU 564.A O no hydrogen 2.776 N/A TRP 569.A N ASP 565.A O no hydrogen 3.116 N/A LEU 570.A N THR 566.A O no hydrogen 3.285 N/A MET 571.A N GLY 567.A O no hydrogen 2.836 N/A GLU 572.A N PHE 568.A O no hydrogen 3.087 N/A MET 573.A N LEU 570.A O no hydrogen 3.122 N/A LEU 574.A N LEU 570.A O no hydrogen 2.986 N/A GLU 575.A N MET 571.A O no hydrogen 2.894 N/A ASP 577.A N MET 573.A O no hydrogen 2.882 N/A SER 578.A N LEU 574.A O no hydrogen 2.988 N/A SER 578.A OG GLU 575.A O no hydrogen 2.416 N/A LEU 579.A N GLU 576.A O no hydrogen 3.174 N/A LYS 580.A N ASP 577.A O no hydrogen 2.885 N/A LEU 581.A N SER 578.A O no hydrogen 3.240 N/A ALA 582.A N ILE 533.A O no hydrogen 3.077 N/A ALA 583.A N PRO 512.A O no hydrogen 3.052 N/A ARG 584.A N GLU 588.A OE1 no hydrogen 3.313 N/A ARG 584.A NE TYR 516.A OH no hydrogen 3.386 N/A ARG 584.A NH2 GLU 6.A O no hydrogen 2.865 N/A GLU 588.A N ASP 585.A OD2 no hydrogen 2.714 N/A LEU 589.A N ASP 585.A O no hydrogen 3.127 N/A LEU 590.A N LEU 586.A O no hydrogen 3.030 N/A ARG 591.A N HIS 587.A O no hydrogen 3.259 N/A CYS 592.A N GLU 588.A O no hydrogen 2.834 N/A CYS 592.A SG ALA 582.A O no hydrogen 3.325 N/A CYS 592.A SG GLU 588.A O no hydrogen 3.388 N/A TRP 593.A N LEU 589.A O no hydrogen 3.311 N/A TRP 593.A NE1 ILE 509.A O no hydrogen 2.869 N/A GLU 594.A N LEU 590.A O no hydrogen 3.011 N/A ASN 595.A N ARG 591.A O no hydrogen 2.904 N/A TYR 596.A OH GLU 575.A OE1 no hydrogen 3.183 N/A HIS 597.A N TRP 593.A O no hydrogen 3.079 N/A HIS 597.A ND1 SER 257.A OG no hydrogen 2.753 N/A HIS 597.A NE2 VAL 192.A O no hydrogen 3.047 N/A ARG 598.A N GLU 594.A O no hydrogen 2.808 N/A ARG 598.A NE VAL 233.A O no hydrogen 2.962 N/A LEU 599.A N ASN 595.A O no hydrogen 2.990 N/A TRP 600.A N TYR 596.A O no hydrogen 3.347 N/A THR 601.A N HIS 597.A O no hydrogen 3.308 N/A THR 601.A OG1 GLY 256.A O no hydrogen 2.951 N/A THR 601.A OG1 HIS 597.A O no hydrogen 3.453 N/A VAL 602.A N ARG 598.A O no hydrogen 3.310 N/A ARG 603.A N LEU 599.A O no hydrogen 2.933 N/A LEU 604.A N TRP 600.A O no hydrogen 3.120 N/A HIS 605.A N THR 601.A O no hydrogen 2.750 N/A HIS 605.A ND1 MET 272.A O no hydrogen 2.471 N/A MET 606.A N VAL 602.A O no hydrogen 3.180 N/A GLN 607.A N ARG 603.A O no hydrogen 2.865 N/A HIS 608.A N LEU 604.A O no hydrogen 3.002 N/A HIS 608.A ND1 GLU 273.A OE1 no hydrogen 2.757 N/A HIS 608.A NE2 SER 640.A OG no hydrogen 3.010 N/A ILE 609.A N HIS 605.A O no hydrogen 3.202 N/A ALA 610.A N MET 606.A O no hydrogen 2.803 N/A PHE 611.A N GLN 607.A O no hydrogen 3.261 N/A ARG 612.A N HIS 608.A O no hydrogen 3.029 N/A ARG 612.A NE GLU 273.A OE2 no hydrogen 2.761 N/A ARG 612.A NH1 GLU 614.A OE1 no hydrogen 3.008 N/A ARG 612.A NH1 TRP 634.A O no hydrogen 3.063 N/A ARG 612.A NH2 GLU 273.A OE2 no hydrogen 2.762 N/A ARG 612.A NH2 CYS 636.A O no hydrogen 2.891 N/A SER 615.A N GLY 628.A O no hydrogen 3.490 N/A SER 615.A OG PHE 626.A O no hydrogen 2.657 N/A SER 615.A OG LEU 627.A O no hydrogen 3.208 N/A ARG 616.A NE GLU 614.A OE1 no hydrogen 2.825 N/A ARG 616.A NH1 MET 96.A O no hydrogen 3.305 N/A ARG 616.A NH1 TYR 323.A OH no hydrogen 2.877 N/A ARG 616.A NH2 GLU 614.A OE1 no hydrogen 3.243 N/A ARG 616.A NH2 GLU 614.A OE2 no hydrogen 2.810 N/A ARG 616.A NH2 ASP 631.A OD1 no hydrogen 3.165 N/A PHE 620.A N TYR 617.A O no hydrogen 2.905 N/A TYR 621.A N TYR 617.A O no hydrogen 3.064 N/A TYR 622.A N TYR 557.A O no hydrogen 2.973 N/A TYR 622.A OH HIS 336.A ND1 no hydrogen 2.896 N/A ARG 623.A N SER 615.A OG no hydrogen 2.816 N/A ARG 623.A NE ASP 625.A OD1 no hydrogen 2.882 N/A ARG 623.A NH1 ILE 609.A O no hydrogen 2.666 N/A ARG 623.A NH1 ALA 610.A O no hydrogen 2.806 N/A ARG 623.A NH2 ASP 625.A OD2 no hydrogen 3.250 N/A ALA 624.A N THR 559.A O no hydrogen 2.732 N/A PHE 626.A N ARG 623.A O no hydrogen 3.037 N/A ASP 630.A N GLU 614.A OE2 no hydrogen 2.735 N/A SER 632.A N ASP 630.A OD2 no hydrogen 3.357 N/A SER 632.A OG ASP 630.A OD2 no hydrogen 3.100 N/A LYS 633.A N ASP 630.A OD1 no hydrogen 3.047 N/A TRP 634.A N ASP 630.A O no hydrogen 3.229 N/A CYS 636.A SG PHE 637.A O no hydrogen 3.675 N/A PHE 637.A N LYS 654.A O no hydrogen 2.701 N/A ASN 639.A N PHE 652.A O no hydrogen 2.858 N/A ASN 639.A ND2 GLU 268.A OE1 no hydrogen 2.789 N/A SER 640.A N MET 269.A O no hydrogen 3.067 N/A SER 640.A OG HIS 608.A NE2 no hydrogen 3.010 N/A LYS 641.A N LYS 650.A O no hydrogen 3.145 N/A LYS 641.A NZ GLU 268.A OE2 no hydrogen 3.089 N/A ASP 643.A N GLU 648.A O no hydrogen 2.704 N/A LYS 646.A N ASP 643.A OD1 no hydrogen 2.907 N/A GLU 648.A N ASP 643.A O no hydrogen 3.329 N/A LYS 650.A N LYS 641.A O no hydrogen 3.095 N/A PHE 652.A N ASN 639.A O no hydrogen 2.801 N/A LYS 653.A NZ LYS 633.A O no hydrogen 2.792 N/A LYS 654.A N PHE 637.A O no hydrogen 2.774 N/A LYS 654.A NZ GLU 268.A OE1 no hydrogen 3.090 N/A TYR 656.A OH GLU 101.A OE2 no hydrogen 2.604 N/A TYR 657.A N TYR 436.A OH no hydrogen 2.774 N/A TYR 657.A OH ASP 435.A OD1 no hydrogen 2.704 N/A GLN 658.A NE2 ILE 660.A O no hydrogen 3.358 N/A ILE 659.A N GLU 101.A OE1 no hydrogen 3.351 N/A ILE 659.A N GLU 101.A OE2 no hydrogen 3.383 N/A ILE 660.A N GLU 101.A OE1 no hydrogen 2.999 N/A