Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7pg6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 7.A N HIS 12.A O no hydrogen 3.164 N/A TRP 9.A N PHE 93.A O no hydrogen 3.230 N/A GLY 10.A N SER 4.A O no hydrogen 3.209 N/A HIS 12.A NE2 GLN 688.A OE1 no hydrogen 2.851 N/A MET 14.A N GLU 7.A OE1 no hydrogen 2.639 N/A ARG 17.A NE GLU 33.A OE2 no hydrogen 2.729 N/A ILE 18.A N CYS 34.A O no hydrogen 2.933 N/A VAL 20.A N LEU 32.A O no hydrogen 2.774 N/A GLU 21.A N PRO 95.A O no hydrogen 3.018 N/A CYS 22.A N VAL 30.A O no hydrogen 2.757 N/A CYS 22.A SG VAL 20.A O no hydrogen 3.801 N/A LEU 23.A N LEU 97.A O no hydrogen 2.747 N/A LEU 24.A N MET 28.A O no hydrogen 3.099 N/A ASN 26.A ND2 LEU 56.A O no hydrogen 3.257 N/A GLY 27.A N LEU 24.A O no hydrogen 3.244 N/A MET 28.A N ASN 26.A OD1 no hydrogen 2.917 N/A VAL 30.A N CYS 22.A O no hydrogen 3.004 N/A THR 31.A OG1 GLU 21.A OE2 no hydrogen 2.320 N/A LEU 32.A N VAL 20.A O no hydrogen 3.010 N/A CYS 34.A N ILE 18.A O no hydrogen 3.011 N/A CYS 34.A SG LEU 32.A O no hydrogen 3.900 N/A ARG 36.A N PRO 16.A O no hydrogen 3.151 N/A ARG 36.A NE GLU 7.A OE1 no hydrogen 3.382 N/A ARG 36.A NH1 ASP 710.A OD1 no hydrogen 2.733 N/A ARG 36.A NH2 GLU 7.A OE1 no hydrogen 3.308 N/A ARG 36.A NH2 GLU 7.A OE2 no hydrogen 2.349 N/A ARG 36.A NH2 ASP 710.A OD2 no hydrogen 3.410 N/A ALA 38.A N LEU 35.A O no hydrogen 2.816 N/A THR 39.A OG1 THR 42.A OG1 no hydrogen 3.411 N/A LEU 40.A N ARG 85.A O no hydrogen 3.248 N/A ILE 41.A N GLU 83.A O no hydrogen 3.155 N/A THR 42.A OG1 THR 39.A OG1 no hydrogen 3.411 N/A ILE 43.A N THR 39.A O no hydrogen 2.929 N/A LYS 44.A N LEU 40.A O no hydrogen 2.778 N/A LYS 44.A NZ GLU 63.A O no hydrogen 3.134 N/A LYS 44.A NZ TYR 66.A O no hydrogen 2.595 N/A LYS 44.A NZ GLU 83.A OE1 no hydrogen 3.244 N/A LYS 44.A NZ GLU 83.A OE2 no hydrogen 2.608 N/A HIS 45.A N ILE 41.A O no hydrogen 3.044 N/A HIS 45.A ND1 GLU 63.A OE2 no hydrogen 2.495 N/A GLU 46.A N THR 42.A O no hydrogen 2.919 N/A LEU 47.A N ILE 43.A O no hydrogen 2.954 N/A PHE 48.A N LYS 44.A O no hydrogen 3.001 N/A LYS 49.A N HIS 45.A O no hydrogen 3.076 N/A LYS 49.A NZ GLU 46.A OE2 no hydrogen 3.178 N/A GLU 50.A N GLU 46.A O no hydrogen 2.998 N/A ALA 51.A N LEU 47.A O no hydrogen 2.778 N/A ARG 52.A N LYS 49.A O no hydrogen 3.469 N/A LYS 53.A N GLU 50.A O no hydrogen 2.984 N/A LYS 53.A NZ GLU 50.A OE1 no hydrogen 3.297 N/A LYS 53.A NZ GLU 50.A OE2 no hydrogen 2.665 N/A TYR 54.A N ALA 51.A O no hydrogen 3.254 N/A GLN 58.A N GLN 58.A OE1 no hydrogen 2.616 N/A LEU 59.A N LEU 56.A O no hydrogen 3.267 N/A LEU 60.A N HIS 57.A O no hydrogen 2.958 N/A GLN 61.A N TYR 66.A OH no hydrogen 2.807 N/A GLN 61.A NE2 TYR 66.A OH no hydrogen 3.559 N/A GLN 61.A NE2 GLU 101.A OE1 no hydrogen 2.369 N/A SER 65.A N ASP 62.A O no hydrogen 2.651 N/A TYR 66.A N GLU 63.A O no hydrogen 3.482 N/A ILE 67.A N ILE 100.A O no hydrogen 2.989 N/A VAL 69.A N LYS 98.A O no hydrogen 2.795 N/A SER 70.A N GLU 78.A O no hydrogen 2.914 N/A SER 70.A OG PHE 96.A O no hydrogen 3.063 N/A THR 72.A N GLU 76.A O no hydrogen 3.001 N/A THR 72.A OG1 GLU 76.A O no hydrogen 3.423 N/A GLN 73.A N ARG 91.A O no hydrogen 2.967 N/A GLN 73.A NE2 GLY 6.A O no hydrogen 2.645 N/A GLN 73.A NE2 LEU 92.A O no hydrogen 3.096 N/A GLU 74.A N THR 72.A OG1 no hydrogen 3.396 N/A ALA 75.A N THR 72.A O no hydrogen 2.773 N/A GLU 78.A N SER 70.A O no hydrogen 2.682 N/A PHE 80.A N PHE 68.A O no hydrogen 2.661 N/A THR 84.A N ASP 82.A OD1 no hydrogen 2.967 N/A THR 84.A OG1 ASP 82.A OD1 no hydrogen 2.490 N/A ARG 85.A NH1 GLU 78.A OE2 no hydrogen 3.001 N/A ARG 85.A NH2 ASP 89.A O no hydrogen 3.285 N/A ARG 86.A NE ASP 713.A OD2 no hydrogen 3.440 N/A ARG 86.A NH1 GLU 37.A O no hydrogen 3.096 N/A ARG 86.A NH2 ASP 713.A OD2 no hydrogen 3.255 N/A LEU 87.A N ALA 38.A O no hydrogen 2.919 N/A CYS 88.A N ARG 36.A O no hydrogen 3.083 N/A CYS 88.A SG ASP 89.A OD1 no hydrogen 3.754 N/A ASP 89.A N ARG 86.A O no hydrogen 2.881 N/A LEU 90.A N LEU 87.A O no hydrogen 3.198 N/A PHE 93.A N VAL 71.A O no hydrogen 3.034 N/A GLN 94.A NE2 PHE 93.A O no hydrogen 2.883 N/A PHE 96.A N GLN 94.A O no hydrogen 2.812 N/A LEU 97.A N GLU 21.A O no hydrogen 2.758 N/A LYS 98.A N VAL 69.A O no hydrogen 2.851 N/A VAL 99.A N LEU 23.A O no hydrogen 2.750 N/A ILE 100.A N ILE 67.A O no hydrogen 3.100 N/A ASN 105.A ND2 GLU 108.A OE1 no hydrogen 3.120 N/A LYS 109.A N ASN 105.A O no hydrogen 2.999 N/A LYS 109.A NZ GLU 79.A OE1 no hydrogen 3.160 N/A LYS 109.A NZ GLU 79.A OE2 no hydrogen 3.356 N/A LYS 109.A NZ VAL 103.A O no hydrogen 2.489 N/A ILE 110.A N ARG 106.A O no hydrogen 2.976 N/A LEU 111.A N GLU 107.A O no hydrogen 2.955 N/A ASN 112.A N GLU 108.A O no hydrogen 2.858 N/A ARG 113.A N LYS 109.A O no hydrogen 3.225 N/A ARG 113.A NH1 GLU 79.A O no hydrogen 3.420 N/A GLU 114.A N ILE 110.A O no hydrogen 3.169 N/A ILE 115.A N LEU 111.A O no hydrogen 2.891 N/A GLY 116.A N ASN 112.A O no hydrogen 2.802 N/A PHE 117.A N ARG 113.A O no hydrogen 2.782 N/A ALA 118.A N GLU 114.A O no hydrogen 3.078 N/A ILE 119.A N ILE 115.A O no hydrogen 3.026 N/A MET 121.A N GLY 116.A O no hydrogen 3.064 N/A GLU 125.A N PRO 122.A O no hydrogen 3.268 N/A PHE 126.A N VAL 123.A O no hydrogen 3.201 N/A MET 128.A N CYS 124.A O no hydrogen 3.359 N/A GLU 133.A N ASP 131.A OD1 no hydrogen 2.824 N/A VAL 134.A N ASP 131.A O no hydrogen 3.125 N/A GLN 135.A N ASP 131.A O no hydrogen 3.475 N/A GLN 135.A NE2 PHE 126.A O no hydrogen 2.807 N/A GLN 135.A NE2 VAL 129.A O no hydrogen 3.147 N/A ASP 136.A N PRO 132.A O no hydrogen 3.008 N/A PHE 137.A N GLU 133.A O no hydrogen 2.972 N/A ARG 138.A N VAL 134.A O no hydrogen 2.986 N/A ARG 138.A NE GLU 656.A OE1 no hydrogen 3.053 N/A ARG 138.A NH1 ASP 127.A OD1 no hydrogen 2.976 N/A ARG 138.A NH2 GLU 656.A OE1 no hydrogen 3.552 N/A ARG 138.A NH2 GLU 656.A OE2 no hydrogen 2.769 N/A ARG 139.A N GLN 135.A O no hydrogen 3.077 N/A ASN 140.A N ASP 136.A O no hydrogen 2.911 N/A ILE 141.A N PHE 137.A O no hydrogen 2.954 N/A LEU 142.A N ARG 139.A O no hydrogen 3.168 N/A ASN 143.A N ASN 140.A O no hydrogen 3.017 N/A VAL 144.A N ILE 141.A O no hydrogen 2.800 N/A CYS 145.A N ILE 141.A O no hydrogen 3.184 N/A CYS 145.A SG ILE 141.A O no hydrogen 3.546 N/A CYS 145.A SG SER 657.A O no hydrogen 3.770 N/A LYS 146.A N LEU 142.A O no hydrogen 2.917 N/A GLU 147.A N ASN 143.A O no hydrogen 2.902 N/A ALA 148.A N VAL 144.A O no hydrogen 3.057 N/A VAL 149.A N CYS 145.A O no hydrogen 3.006 N/A ASP 150.A N LYS 146.A O no hydrogen 2.997 N/A LEU 151.A N GLU 147.A O no hydrogen 3.097 N/A ARG 152.A N VAL 149.A O no hydrogen 3.388 N/A ARG 152.A NH1 ALA 661.A O no hydrogen 3.262 N/A ARG 152.A NH2 LEU 625.A O no hydrogen 2.854 N/A ARG 152.A NH2 ALA 661.A O no hydrogen 3.061 N/A ASP 153.A N VAL 149.A O no hydrogen 3.325 N/A ASN 155.A N SER 159.A OG no hydrogen 3.054 N/A SER 156.A N ASP 153.A O no hydrogen 3.466 N/A SER 156.A OG ASP 153.A O no hydrogen 3.072 N/A SER 156.A OG ASP 153.A OD1 no hydrogen 2.484 N/A HIS 158.A NE2 LEU 260.A O no hydrogen 3.152 N/A SER 159.A OG ARG 152.A O no hydrogen 2.484 N/A ARG 160.A N PRO 157.A O no hydrogen 2.771 N/A ALA 161.A N PRO 157.A O no hydrogen 3.018 N/A MET 162.A N HIS 158.A O no hydrogen 2.851 N/A TYR 163.A N SER 159.A O no hydrogen 3.319 N/A TYR 163.A OH CYS 662.A O no hydrogen 2.527 N/A VAL 164.A N ARG 160.A O no hydrogen 3.065 N/A TYR 165.A N ALA 161.A O no hydrogen 2.702 N/A GLU 170.A N GLN 267.A O no hydrogen 2.874 N/A SER 171.A OG THR 591.A OG1 no hydrogen 2.957 N/A SER 171.A OG ASP 593.A OD2 no hydrogen 2.433 N/A GLU 174.A N SER 172.A OG no hydrogen 3.427 N/A ILE 179.A N PRO 176.A O no hydrogen 3.017 N/A TYR 180.A N PRO 176.A O no hydrogen 2.979 N/A ASN 181.A N LYS 177.A O no hydrogen 3.016 N/A LYS 182.A N ILE 179.A O no hydrogen 3.128 N/A LYS 182.A NZ HIS 178.A O no hydrogen 3.497 N/A LEU 183.A N TYR 180.A O no hydrogen 2.902 N/A ASP 184.A N GLN 187.A O no hydrogen 3.177 N/A GLN 187.A NE2 ASN 210.A OD1 no hydrogen 3.093 N/A ILE 188.A N ILE 209.A O no hydrogen 2.728 N/A VAL 190.A N LEU 207.A O no hydrogen 2.821 N/A VAL 191.A N PRO 281.A O no hydrogen 3.075 N/A ILE 192.A N TYR 205.A O no hydrogen 2.828 N/A TRP 193.A N LEU 283.A O no hydrogen 2.713 N/A TRP 193.A NE1 ASN 282.A OD1 no hydrogen 2.937 N/A VAL 194.A N GLN 203.A O no hydrogen 3.175 N/A VAL 196.A N ASP 201.A O no hydrogen 2.934 N/A ASP 201.A N VAL 196.A O no hydrogen 3.091 N/A LYS 202.A NZ ILE 755.A O no hydrogen 3.190 N/A LYS 202.A NZ GLU 758.A OE2 no hydrogen 2.553 N/A GLN 203.A N VAL 194.A O no hydrogen 3.076 N/A TYR 205.A N ILE 192.A O no hydrogen 3.010 N/A LEU 207.A N VAL 190.A O no hydrogen 2.819 N/A LYS 208.A NZ ASP 184.A OD2 no hydrogen 2.825 N/A ILE 209.A N ILE 188.A O no hydrogen 3.046 N/A HIS 211.A N GLY 186.A O no hydrogen 3.456 N/A HIS 211.A ND1 SER 266.A OG no hydrogen 3.017 N/A CYS 213.A N ASN 210.A O no hydrogen 2.909 N/A CYS 213.A SG ASN 210.A O no hydrogen 3.166 N/A CYS 213.A SG GLN 217.A OE1 no hydrogen 4.019 N/A VAL 214.A N GLN 217.A OE1 no hydrogen 3.126 N/A GLN 217.A N VAL 214.A O no hydrogen 2.832 N/A VAL 218.A N VAL 214.A O no hydrogen 3.163 N/A ILE 219.A N PRO 215.A O no hydrogen 3.065 N/A ALA 220.A N GLU 216.A O no hydrogen 3.048 N/A GLU 221.A N GLN 217.A O no hydrogen 2.920 N/A ALA 222.A N VAL 218.A O no hydrogen 3.054 N/A ILE 223.A N ILE 219.A O no hydrogen 2.945 N/A ARG 224.A N ALA 220.A O no hydrogen 2.969 N/A ARG 224.A NE GLU 221.A OE1 no hydrogen 2.942 N/A ARG 224.A NH2 GLU 221.A OE1 no hydrogen 3.110 N/A LYS 225.A N GLU 221.A O no hydrogen 3.047 N/A LYS 225.A NZ THR 206.A O no hydrogen 3.257 N/A LYS 226.A N ALA 222.A O no hydrogen 2.896 N/A LYS 226.A NZ GLN 203.A OE1 no hydrogen 3.468 N/A LYS 226.A NZ TYR 205.A OH no hydrogen 2.748 N/A THR 227.A N ILE 223.A O no hydrogen 3.001 N/A THR 227.A OG1 ILE 223.A O no hydrogen 3.318 N/A GLN 236.A N SER 233.A OG no hydrogen 3.290 N/A LEU 237.A N SER 233.A O no hydrogen 2.832 N/A LYS 238.A N SER 234.A O no hydrogen 3.309 N/A LEU 239.A N GLU 235.A O no hydrogen 3.111 N/A CYS 240.A N GLN 236.A O no hydrogen 2.623 N/A VAL 241.A N LEU 237.A O no hydrogen 2.619 N/A LEU 242.A N LYS 238.A O no hydrogen 2.817 N/A GLU 243.A N LEU 239.A O no hydrogen 2.937 N/A TYR 244.A N CYS 240.A O no hydrogen 3.160 N/A GLN 245.A N LEU 242.A O no hydrogen 3.373 N/A GLN 245.A NE2 GLU 216.A O no hydrogen 3.450 N/A LYS 247.A N TYR 244.A O no hydrogen 3.105 N/A ILE 249.A N MET 286.A O no hydrogen 2.851 N/A LYS 251.A N MET 284.A O no hydrogen 2.932 N/A LYS 251.A NZ VAL 252.A O no hydrogen 3.017 N/A LYS 251.A NZ CYS 255.A O no hydrogen 3.487 N/A LYS 251.A NZ ASP 754.A OD1 no hydrogen 2.980 N/A VAL 252.A N GLU 257.A O no hydrogen 2.989 N/A CYS 253.A N ASN 282.A O no hydrogen 3.091 N/A CYS 253.A SG ASN 282.A O no hydrogen 3.374 N/A GLY 254.A N ASP 754.A OD2 no hydrogen 3.012 N/A ASP 256.A N ALA 725.A O no hydrogen 2.918 N/A PHE 259.A N LEU 250.A O no hydrogen 2.929 N/A GLU 261.A N TYR 268.A OH no hydrogen 3.178 N/A LEU 265.A N CYS 213.A O no hydrogen 2.956 N/A SER 266.A N HIS 211.A O no hydrogen 3.097 N/A SER 266.A OG HIS 211.A ND1 no hydrogen 3.017 N/A SER 266.A OG HIS 211.A O no hydrogen 3.465 N/A GLN 267.A N PRO 264.A O no hydrogen 2.892 N/A GLN 267.A NE2 GLU 170.A O no hydrogen 3.158 N/A TYR 268.A N LEU 265.A O no hydrogen 3.206 N/A TYR 268.A OH GLU 261.A O no hydrogen 2.520 N/A LYS 269.A N ASN 168.A O no hydrogen 2.961 N/A LYS 269.A NZ ASP 593.A OD1 no hydrogen 2.436 N/A ARG 272.A N TYR 268.A O no hydrogen 2.960 N/A ARG 272.A NE SER 266.A O no hydrogen 2.531 N/A ARG 272.A NH2 SER 172.A O no hydrogen 2.934 N/A SER 273.A N LYS 269.A O no hydrogen 2.961 N/A SER 273.A OG LYS 269.A O no hydrogen 2.769 N/A CYS 274.A N TYR 270.A O no hydrogen 2.917 N/A CYS 274.A SG TYR 270.A O no hydrogen 3.335 N/A ILE 275.A N ILE 271.A O no hydrogen 2.851 N/A MET 276.A N ARG 272.A O no hydrogen 3.264 N/A LEU 277.A N SER 273.A O no hydrogen 3.070 N/A LEU 277.A N CYS 274.A O no hydrogen 3.177 N/A GLY 278.A N ILE 275.A O no hydrogen 3.138 N/A ARG 279.A N CYS 274.A O no hydrogen 2.875 N/A ASN 282.A N TYR 270.A OH no hydrogen 2.922 N/A LEU 283.A N VAL 191.A O no hydrogen 2.958 N/A MET 284.A N LYS 251.A O no hydrogen 2.621 N/A LEU 285.A N TRP 193.A O no hydrogen 2.750 N/A MET 286.A N ILE 249.A O no hydrogen 3.204 N/A LYS 288.A N LYS 247.A O no hydrogen 2.799 N/A SER 290.A N ALA 287.A O no hydrogen 3.155 N/A SER 290.A OG ALA 287.A O no hydrogen 2.714 N/A TYR 292.A N LYS 288.A O no hydrogen 3.174 N/A SER 293.A N GLU 289.A O no hydrogen 2.937 N/A SER 293.A OG GLU 289.A O no hydrogen 2.739 N/A SER 304.A N GLU 108.A OE2 no hydrogen 2.967 N/A SER 304.A OG GLU 108.A OE2 no hydrogen 3.458 N/A SER 306.A N PRO 303.A O no hydrogen 2.925 N/A SER 306.A OG PRO 303.A O no hydrogen 2.586 N/A ARG 307.A N SER 304.A O no hydrogen 2.966 N/A ARG 308.A NH1 ASP 127.A OD1 no hydrogen 3.249 N/A ARG 308.A NH2 ASP 127.A OD1 no hydrogen 2.746 N/A LYS 314.A N VAL 472.A O no hydrogen 2.817 N/A LEU 316.A N LYS 474.A O no hydrogen 2.847 N/A TRP 317.A N SER 315.A OG no hydrogen 2.973 N/A VAL 318.A N SER 315.A O no hydrogen 3.307 N/A ILE 319.A N LEU 316.A O no hydrogen 3.280 N/A SER 321.A OG ALA 322.A O no hydrogen 2.997 N/A LEU 323.A N ILE 380.A O no hydrogen 3.055 N/A ARG 324.A NE ASP 467.A OD2 no hydrogen 2.659 N/A ARG 324.A NH2 ASP 467.A OD1 no hydrogen 3.324 N/A ARG 324.A NH2 ASP 467.A OD2 no hydrogen 2.901 N/A ILE 325.A N LEU 376.A O no hydrogen 2.928 N/A LYS 326.A N GLU 465.A O no hydrogen 3.068 N/A ILE 327.A N GLU 374.A O no hydrogen 2.889 N/A LEU 328.A N GLU 463.A O no hydrogen 3.088 N/A ALA 330.A N PRO 370.A O no hydrogen 3.013 N/A THR 331.A N CYS 461.A O no hydrogen 2.874 N/A ASP 339.A N ASN 336.A O no hydrogen 2.844 N/A ILE 340.A N ASN 336.A O no hydrogen 3.291 N/A ASP 341.A N VAL 398.A O no hydrogen 2.994 N/A LYS 342.A N VAL 398.A O no hydrogen 3.248 N/A LYS 342.A NZ ASP 341.A O no hydrogen 3.386 N/A ILE 343.A N VAL 365.A O no hydrogen 2.793 N/A TYR 344.A N CYS 396.A O no hydrogen 2.932 N/A TYR 344.A OH HIS 408.A ND1 no hydrogen 2.889 N/A VAL 345.A N THR 362.A OG1 no hydrogen 3.149 N/A ARG 346.A N SER 394.A O no hydrogen 2.774 N/A ARG 346.A NH1 ASN 361.A OD1 no hydrogen 2.824 N/A THR 347.A N VAL 360.A O no hydrogen 3.019 N/A THR 347.A OG1 VAL 360.A O no hydrogen 2.715 N/A THR 347.A OG1 TYR 378.A OH no hydrogen 2.751 N/A TYR 350.A N ARG 390.A O no hydrogen 2.933 N/A HIS 351.A N GLU 354.A O no hydrogen 2.951 N/A GLU 354.A N HIS 351.A O no hydrogen 3.255 N/A LEU 356.A N ILE 349.A O no hydrogen 2.705 N/A CYS 357.A SG ASP 358.A O no hydrogen 3.936 N/A ASN 359.A ND2 TYR 350.A OH no hydrogen 3.297 N/A VAL 360.A N THR 347.A O no hydrogen 3.122 N/A THR 362.A N VAL 345.A O no hydrogen 3.068 N/A THR 362.A OG1 GLN 363.A O no hydrogen 3.100 N/A GLN 363.A N GLU 374.A OE1 no hydrogen 2.652 N/A ARG 364.A NH1 GLU 406.A OE2 no hydrogen 3.306 N/A ARG 364.A NH2 GLU 406.A OE1 no hydrogen 3.017 N/A VAL 365.A N ILE 343.A O no hydrogen 2.948 N/A CYS 367.A SG ILE 340.A O no hydrogen 3.972 N/A CYS 367.A SG ASP 341.A O no hydrogen 4.036 N/A ASN 369.A N PRO 366.A O no hydrogen 3.079 N/A TRP 372.A N LEU 328.A O no hydrogen 2.935 N/A TRP 372.A NE1 GLN 363.A O no hydrogen 2.806 N/A ASN 373.A N LEU 328.A O no hydrogen 3.112 N/A GLU 374.A N ILE 327.A O no hydrogen 3.021 N/A LEU 376.A N ILE 325.A O no hydrogen 2.567 N/A TYR 378.A N LEU 323.A O no hydrogen 2.988 N/A TYR 378.A OH THR 347.A OG1 no hydrogen 2.751 N/A ILE 380.A N TYR 378.A O no hydrogen 3.076 N/A TYR 381.A OH ASN 320.A OD1 no hydrogen 2.247 N/A ILE 382.A N SER 321.A O no hydrogen 3.106 N/A ASP 384.A N TYR 381.A O no hydrogen 2.537 N/A LEU 385.A N ILE 382.A O no hydrogen 3.176 N/A ARG 387.A NH1 ARG 387.A O no hydrogen 2.838 N/A ARG 387.A NH1 TYR 611.A OH no hydrogen 2.662 N/A ARG 387.A NH2 ASP 423.A OD1 no hydrogen 2.967 N/A ARG 387.A NH2 TYR 611.A OH no hydrogen 3.355 N/A ALA 389.A N PRO 386.A O no hydrogen 3.022 N/A ARG 390.A N TYR 350.A O no hydrogen 2.741 N/A ARG 390.A NH1 PRO 447.A O no hydrogen 2.792 N/A ARG 390.A NH2 GLY 352.A O no hydrogen 3.021 N/A ARG 390.A NH2 PRO 447.A O no hydrogen 2.865 N/A LEU 391.A N ILE 416.A O no hydrogen 2.723 N/A CYS 392.A N GLY 348.A O no hydrogen 2.933 N/A CYS 392.A SG ASN 415.A OD1 no hydrogen 3.268 N/A LEU 393.A N GLY 414.A O no hydrogen 3.066 N/A SER 394.A N ARG 346.A O no hydrogen 3.015 N/A SER 394.A OG LEU 444.A O no hydrogen 2.627 N/A ILE 395.A N ALA 412.A O no hydrogen 2.981 N/A CYS 396.A N TYR 344.A O no hydrogen 2.794 N/A CYS 396.A SG SER 394.A OG no hydrogen 3.077 N/A SER 397.A N CYS 409.A O no hydrogen 2.777 N/A SER 397.A OG CYS 409.A O no hydrogen 3.539 N/A VAL 398.A N LYS 342.A O no hydrogen 2.885 N/A LYS 399.A N GLU 407.A O no hydrogen 3.133 N/A GLY 400.A N ASP 341.A OD2 no hydrogen 2.427 N/A ARG 401.A NE ASP 341.A OD1 no hydrogen 2.918 N/A ARG 401.A NH2 ARG 338.A O no hydrogen 2.992 N/A ARG 401.A NH2 ASP 341.A OD1 no hydrogen 3.153 N/A LYS 405.A N LYS 402.A O no hydrogen 2.819 N/A GLU 407.A N LYS 399.A O no hydrogen 2.891 N/A HIS 408.A ND1 TYR 344.A OH no hydrogen 2.889 N/A HIS 408.A NE2 GLU 406.A OE1 no hydrogen 3.153 N/A CYS 409.A N SER 397.A O no hydrogen 3.013 N/A CYS 409.A SG PRO 410.A O no hydrogen 3.309 N/A LEU 411.A N ILE 395.A O no hydrogen 2.901 N/A TRP 413.A N TRP 435.A O no hydrogen 3.047 N/A TRP 413.A NE1 PRO 436.A O no hydrogen 2.785 N/A GLY 414.A N LEU 393.A O no hydrogen 3.062 N/A ASN 415.A ND2 ASN 446.A O no hydrogen 2.688 N/A ASN 415.A ND2 GLY 449.A O no hydrogen 3.130 N/A ILE 416.A N LEU 391.A O no hydrogen 2.873 N/A ASN 417.A ND2 GLN 610.A O no hydrogen 3.023 N/A LEU 418.A N ALA 389.A O no hydrogen 3.052 N/A ASP 420.A N THR 424.A O no hydrogen 2.941 N/A TYR 421.A OH ASP 136.A OD2 no hydrogen 2.065 N/A THR 422.A N ASP 420.A OD1 no hydrogen 3.136 N/A THR 422.A OG1 ASP 420.A OD1 no hydrogen 2.838 N/A THR 422.A OG1 ASP 420.A OD2 no hydrogen 3.513 N/A THR 422.A OG1 THR 424.A OG1 no hydrogen 3.009 N/A ASP 423.A N ASP 420.A O no hydrogen 3.040 N/A THR 424.A N ASP 420.A OD1 no hydrogen 2.880 N/A THR 424.A OG1 THR 422.A OG1 no hydrogen 3.009 N/A LEU 425.A N VAL 473.A O no hydrogen 2.645 N/A VAL 426.A N LEU 418.A O no hydrogen 2.987 N/A GLY 428.A N PHE 466.A O no hydrogen 3.365 N/A MET 430.A N LEU 464.A O no hydrogen 2.808 N/A LEU 432.A N LEU 462.A O no hydrogen 2.981 N/A ASN 433.A N SER 453.A OG no hydrogen 2.802 N/A ASN 433.A ND2 LYS 457.A O no hydrogen 3.680 N/A ASN 433.A ND2 THR 459.A O no hydrogen 3.569 N/A ASN 433.A ND2 THR 459.A OG1 no hydrogen 2.913 N/A LEU 434.A N PRO 460.A O no hydrogen 2.884 N/A TRP 435.A N TRP 413.A O no hydrogen 2.900 N/A TRP 435.A NE1 GLY 452.A O no hydrogen 3.056 N/A LEU 441.A N PRO 438.A O no hydrogen 3.161 N/A GLY 449.A N ASN 446.A O no hydrogen 2.877 N/A GLY 452.A N ASN 415.A O no hydrogen 2.943 N/A ASN 454.A N ASN 433.A O no hydrogen 2.963 N/A ASN 454.A ND2 LEU 434.A O no hydrogen 2.831 N/A ASN 456.A N ASN 454.A OD1 no hydrogen 2.759 N/A LYS 457.A NZ ASN 433.A OD1 no hydrogen 3.450 N/A LYS 457.A NZ ASN 454.A O no hydrogen 3.187 N/A GLU 458.A N ASN 456.A OD1 no hydrogen 2.563 N/A THR 459.A OG1 ASN 456.A O no hydrogen 2.666 N/A CYS 461.A N THR 331.A OG1 no hydrogen 3.043 N/A LEU 462.A N LEU 432.A O no hydrogen 2.843 N/A GLU 463.A N CYS 329.A O no hydrogen 2.777 N/A LEU 464.A N MET 430.A O no hydrogen 2.721 N/A GLU 465.A N LYS 326.A O no hydrogen 3.071 N/A PHE 466.A N GLY 428.A O no hydrogen 2.888 N/A TRP 468.A N ASP 467.A OD1 no hydrogen 2.963 N/A SER 470.A OG PHE 469.A O no hydrogen 2.417 N/A VAL 472.A N SER 312.A O no hydrogen 3.433 N/A LYS 474.A N LYS 314.A O no hydrogen 2.946 N/A LYS 474.A NZ THR 422.A O no hydrogen 3.315 N/A LYS 474.A NZ THR 424.A OG1 no hydrogen 2.861 N/A PHE 475.A N ASP 423.A O no hydrogen 2.975 N/A ILE 481.A N ASP 477.A O no hydrogen 3.185 N/A GLU 482.A N MET 478.A O no hydrogen 2.780 N/A GLU 483.A N SER 479.A O no hydrogen 3.151 N/A HIS 484.A N VAL 480.A O no hydrogen 3.071 N/A HIS 484.A ND1 HIS 484.A O no hydrogen 2.375 N/A ALA 485.A N ILE 481.A O no hydrogen 3.331 N/A ASN 486.A ND2 GLU 482.A O no hydrogen 2.902 N/A TRP 487.A N HIS 484.A O no hydrogen 3.090 N/A SER 488.A N ALA 485.A O no hydrogen 3.261 N/A SER 488.A OG ALA 485.A O no hydrogen 3.105 N/A ASP 494.A N LEU 490.A O no hydrogen 2.743 N/A LYS 495.A N ARG 491.A O no hydrogen 3.096 N/A GLU 496.A N GLU 492.A O no hydrogen 3.256 N/A GLN 497.A N ASN 493.A O no hydrogen 3.367 N/A LEU 498.A N ASP 494.A O no hydrogen 2.972 N/A LYS 499.A N LYS 495.A O no hydrogen 3.161 N/A ALA 500.A N GLU 496.A O no hydrogen 2.905 N/A ILE 501.A N GLN 497.A O no hydrogen 2.840 N/A SER 502.A N LEU 498.A O no hydrogen 3.138 N/A SER 502.A OG LYS 499.A O no hydrogen 2.595 N/A THR 503.A OG1 ALA 500.A O no hydrogen 3.000 N/A ARG 504.A N ILE 501.A O no hydrogen 3.369 N/A ARG 504.A NH1 SER 508.A OG no hydrogen 2.986 N/A ARG 504.A NH1 GLU 509.A O no hydrogen 2.956 N/A ARG 504.A NH2 GLU 514.A OE1 no hydrogen 2.981 N/A ARG 504.A NH2 GLU 514.A OE2 no hydrogen 2.611 N/A SER 508.A N ASP 505.A O no hydrogen 3.178 N/A THR 511.A N GLU 514.A OE1 no hydrogen 3.327 N/A THR 511.A OG1 GLN 513.A OE1 no hydrogen 3.438 N/A GLN 513.A N GLN 513.A OE1 no hydrogen 3.113 N/A GLU 514.A N THR 511.A OG1 no hydrogen 3.074 N/A LYS 515.A N THR 511.A O no hydrogen 3.020 N/A LYS 515.A NZ GLU 512.A OE2 no hydrogen 3.538 N/A ASP 516.A N GLU 512.A O no hydrogen 3.201 N/A PHE 517.A N GLN 513.A O no hydrogen 2.900 N/A LEU 518.A N GLU 514.A O no hydrogen 2.692 N/A TRP 519.A N LYS 515.A O no hydrogen 2.682 N/A SER 520.A N ASP 516.A O no hydrogen 2.800 N/A SER 520.A OG ASP 516.A O no hydrogen 2.521 N/A HIS 521.A N PHE 517.A O no hydrogen 3.191 N/A HIS 521.A ND1 PHE 517.A O no hydrogen 2.626 N/A HIS 521.A NE2 ASP 494.A OD2 no hydrogen 2.882 N/A ARG 522.A N TRP 519.A O no hydrogen 3.315 N/A ARG 522.A NH1 TRP 519.A O no hydrogen 2.637 N/A ARG 522.A NH2 GLN 549.A OE1 no hydrogen 2.561 N/A CYS 525.A N HIS 521.A O no hydrogen 3.055 N/A CYS 525.A N ARG 522.A O no hydrogen 3.111 N/A CYS 525.A SG HIS 521.A O no hydrogen 3.791 N/A THR 527.A N TYR 524.A O no hydrogen 2.890 N/A THR 527.A OG1 TYR 524.A O no hydrogen 2.607 N/A ILE 528.A N CYS 525.A O no hydrogen 2.864 N/A GLU 530.A N GLU 530.A OE1 no hydrogen 2.439 N/A ILE 531.A N ILE 528.A O no hydrogen 3.066 N/A LEU 532.A N PRO 529.A O no hydrogen 3.243 N/A LYS 534.A N ILE 531.A O no hydrogen 2.843 N/A LYS 534.A NZ ARG 504.A O no hydrogen 3.382 N/A LYS 534.A NZ ASP 505.A O no hydrogen 3.534 N/A LEU 535.A N ILE 531.A O no hydrogen 3.034 N/A LEU 536.A N LEU 532.A O no hydrogen 2.785 N/A LEU 537.A N PRO 533.A O no hydrogen 3.174 N/A SER 538.A N LYS 534.A O no hydrogen 3.222 N/A SER 538.A N LEU 535.A O no hydrogen 3.077 N/A SER 538.A OG LYS 534.A O no hydrogen 2.776 N/A VAL 539.A N LEU 536.A O no hydrogen 3.312 N/A LYS 540.A N GLU 546.A OE1 no hydrogen 3.072 N/A TRP 541.A NE1 LEU 536.A O no hydrogen 2.964 N/A ASN 542.A ND2 LEU 356.A O no hydrogen 3.010 N/A SER 543.A N LYS 540.A O no hydrogen 3.172 N/A ARG 544.A N ASP 384.A OD1 no hydrogen 2.949 N/A GLU 546.A N SER 543.A O no hydrogen 3.188 N/A GLU 546.A N SER 543.A OG no hydrogen 3.046 N/A VAL 547.A N SER 543.A O no hydrogen 3.221 N/A ALA 548.A N ARG 544.A O no hydrogen 3.107 N/A GLN 549.A NE2 ASP 545.A O no hydrogen 3.478 N/A MET 550.A N GLU 546.A O no hydrogen 2.900 N/A TYR 551.A N VAL 547.A O no hydrogen 2.748 N/A TYR 551.A OH ASP 575.A OD1 no hydrogen 2.430 N/A CYS 552.A N GLN 549.A O no hydrogen 3.145 N/A CYS 552.A SG GLU 482.A O no hydrogen 3.841 N/A CYS 552.A SG ALA 548.A O no hydrogen 3.676 N/A LEU 553.A N GLN 549.A O no hydrogen 3.387 N/A VAL 554.A N MET 550.A O no hydrogen 3.083 N/A LYS 555.A N TYR 551.A O no hydrogen 3.177 N/A LYS 555.A NZ GLU 482.A OE2 no hydrogen 3.437 N/A TRP 557.A N VAL 554.A O no hydrogen 3.023 N/A TRP 557.A NE1 PRO 529.A O no hydrogen 2.721 N/A ALA 565.A N LYS 561.A O no hydrogen 2.665 N/A MET 566.A N PRO 562.A O no hydrogen 2.829 N/A GLU 567.A N GLN 564.A O no hydrogen 3.003 N/A LEU 568.A N ALA 565.A O no hydrogen 3.008 N/A LEU 569.A N MET 566.A O no hydrogen 2.991 N/A ASP 570.A N GLU 567.A O no hydrogen 2.791 N/A ASN 572.A N ASP 570.A OD1 no hydrogen 2.860 N/A TYR 573.A N ASP 570.A O no hydrogen 3.168 N/A TYR 573.A OH PRO 533.A O no hydrogen 3.124 N/A TYR 573.A OH GLU 567.A OE2 no hydrogen 3.039 N/A MET 577.A N ASP 575.A OD2 no hydrogen 2.863 N/A VAL 578.A N ASP 575.A OD2 no hydrogen 3.140 N/A ARG 579.A N ASP 575.A O no hydrogen 2.892 N/A ARG 579.A NE GLU 609.A OE2 no hydrogen 2.790 N/A ARG 579.A NH1 LEU 569.A O no hydrogen 3.204 N/A ARG 579.A NH1 ASP 570.A O no hydrogen 3.295 N/A ARG 579.A NH1 TYR 573.A O no hydrogen 2.779 N/A ARG 579.A NH2 LEU 569.A O no hydrogen 2.984 N/A ARG 579.A NH2 GLU 609.A OE2 no hydrogen 2.996 N/A GLY 580.A N PRO 576.A O no hydrogen 3.119 N/A PHE 581.A N MET 577.A O no hydrogen 2.759 N/A ALA 582.A N VAL 578.A O no hydrogen 3.025 N/A VAL 583.A N ARG 579.A O no hydrogen 2.854 N/A ARG 584.A N.A GLY 580.A O no hydrogen 2.953 N/A ARG 584.A N.B GLY 580.A O no hydrogen 2.904 N/A CYS 585.A N PHE 581.A O no hydrogen 3.172 N/A CYS 585.A SG ILE 560.A O no hydrogen 3.884 N/A CYS 585.A SG PHE 581.A O no hydrogen 3.378 N/A LEU 586.A N ALA 582.A O no hydrogen 3.307 N/A GLU 587.A N VAL 583.A O no hydrogen 2.977 N/A LYS 588.A N ARG 584.A O.A no hydrogen 3.049 N/A LYS 588.A N ARG 584.A O.B no hydrogen 2.992 N/A TYR 589.A N CYS 585.A O no hydrogen 2.758 N/A LEU 590.A N LEU 586.A O no hydrogen 3.055 N/A THR 591.A OG1 SER 171.A OG no hydrogen 2.957 N/A LYS 594.A N THR 591.A OG1 no hydrogen 3.136 N/A LEU 595.A N THR 591.A O no hydrogen 2.954 N/A SER 596.A N ASP 592.A O no hydrogen 2.925 N/A SER 596.A OG ASP 592.A O no hydrogen 3.519 N/A GLN 597.A N ASP 593.A O no hydrogen 3.035 N/A TYR 598.A N LYS 594.A O no hydrogen 2.864 N/A TYR 598.A OH GLU 563.A OE2 no hydrogen 3.364 N/A LEU 599.A N SER 596.A O no hydrogen 3.387 N/A GLN 601.A NE2 GLN 782.A OE1 no hydrogen 2.898 N/A LEU 602.A N TYR 598.A O no hydrogen 3.188 N/A VAL 603.A N LEU 599.A O no hydrogen 3.066 N/A GLN 604.A N ILE 600.A O no hydrogen 3.216 N/A GLN 604.A NE2 GLU 641.A OE1 no hydrogen 2.648 N/A VAL 605.A N GLN 601.A O no hydrogen 2.929 N/A LEU 606.A N VAL 603.A O no hydrogen 3.042 N/A LYS 607.A N GLN 604.A O no hydrogen 2.879 N/A LYS 607.A NZ GLN 604.A OE1 no hydrogen 2.906 N/A LYS 607.A NZ GLU 641.A OE1 no hydrogen 3.529 N/A LYS 607.A NZ GLU 641.A OE2 no hydrogen 2.620 N/A TYR 608.A N VAL 605.A O no hydrogen 2.941 N/A TYR 608.A OH SER 964.A O no hydrogen 3.397 N/A GLU 609.A N LEU 606.A O no hydrogen 3.431 N/A GLN 610.A NE2 ASN 417.A OD1 no hydrogen 2.486 N/A TYR 611.A OH PHE 419.A O no hydrogen 2.588 N/A LEU 612.A N GLU 133.A OE2 no hydrogen 3.038 N/A ASN 614.A ND2 TYR 611.A O no hydrogen 2.981 N/A VAL 617.A N ASN 614.A OD1 no hydrogen 2.672 N/A ARG 618.A N ASN 614.A O no hydrogen 3.246 N/A ARG 618.A NH1 ASP 613.A OD1 no hydrogen 2.850 N/A PHE 619.A N LEU 615.A O no hydrogen 3.006 N/A LEU 620.A N LEU 616.A O no hydrogen 3.054 N/A LEU 621.A N VAL 617.A O no hydrogen 2.957 N/A LYS 622.A N ARG 618.A O no hydrogen 2.948 N/A LYS 623.A N PHE 619.A O no hydrogen 2.894 N/A LYS 623.A NZ ASP 592.A OD1 no hydrogen 3.183 N/A ALA 624.A N LEU 620.A O no hydrogen 2.772 N/A LEU 625.A N LEU 621.A O no hydrogen 2.880 N/A LEU 625.A N LYS 622.A O no hydrogen 3.068 N/A THR 626.A N LYS 622.A O no hydrogen 2.914 N/A THR 626.A N LYS 623.A O no hydrogen 3.114 N/A THR 626.A OG1 LYS 623.A O no hydrogen 3.529 N/A ASN 627.A N LYS 623.A O no hydrogen 3.006 N/A ASN 627.A ND2 ASP 592.A OD2 no hydrogen 3.407 N/A GLN 628.A N TYR 163.A O no hydrogen 2.964 N/A ARG 629.A N ASN 627.A OD1 no hydrogen 2.766 N/A ARG 629.A NH1 PRO 166.A O no hydrogen 3.372 N/A ARG 629.A NH2 PRO 167.A O no hydrogen 3.327 N/A ILE 630.A N ASN 627.A OD1 no hydrogen 3.059 N/A GLY 631.A N ASN 627.A O no hydrogen 2.821 N/A HIS 632.A N GLN 628.A O no hydrogen 2.961 N/A HIS 632.A ND1 TYR 665.A OH no hydrogen 2.640 N/A HIS 632.A NE2 PRO 721.A O no hydrogen 2.746 N/A PHE 634.A N ILE 630.A O no hydrogen 2.884 N/A PHE 635.A N GLY 631.A O no hydrogen 2.911 N/A TRP 636.A N HIS 632.A O no hydrogen 3.153 N/A TRP 636.A NE1 GLN 672.A OE1 no hydrogen 2.791 N/A HIS 637.A N PHE 633.A O no hydrogen 2.936 N/A LEU 638.A N PHE 634.A O no hydrogen 3.332 N/A LYS 639.A N PHE 635.A O no hydrogen 2.841 N/A LYS 639.A NZ ALA 118.A O no hydrogen 2.890 N/A SER 640.A N TRP 636.A O no hydrogen 2.968 N/A SER 640.A OG TRP 636.A O no hydrogen 3.243 N/A SER 640.A OG HIS 637.A O no hydrogen 2.838 N/A GLU 641.A N LEU 638.A O no hydrogen 3.236 N/A MET 642.A N LYS 639.A O no hydrogen 3.146 N/A ASN 644.A N GLU 641.A O no hydrogen 3.047 N/A THR 646.A N ASN 644.A OD1 no hydrogen 2.882 N/A THR 646.A OG1 ASN 644.A OD1 no hydrogen 2.399 N/A ARG 650.A NH1 TYR 611.A O no hydrogen 3.226 N/A ARG 650.A NH2 GLU 609.A O no hydrogen 3.068 N/A PHE 651.A N VAL 647.A O no hydrogen 2.874 N/A GLY 652.A N SER 648.A O no hydrogen 3.026 N/A LEU 653.A N GLN 649.A O no hydrogen 3.134 N/A LEU 654.A N ARG 650.A O no hydrogen 3.050 N/A LEU 655.A N PHE 651.A O no hydrogen 2.677 N/A GLU 656.A N GLY 652.A O no hydrogen 2.858 N/A SER 657.A N LEU 653.A O no hydrogen 3.378 N/A SER 657.A OG LEU 654.A O no hydrogen 2.951 N/A TYR 658.A N LEU 654.A O no hydrogen 3.154 N/A CYS 659.A N LEU 655.A O no hydrogen 2.925 N/A CYS 659.A SG LEU 655.A O no hydrogen 3.282 N/A ARG 660.A N GLU 656.A O no hydrogen 2.942 N/A ARG 660.A NE TYR 305.A OH no hydrogen 3.333 N/A ARG 660.A NH1 ASN 112.A OD1 no hydrogen 3.018 N/A ARG 660.A NH2 ASN 112.A OD1 no hydrogen 2.821 N/A ARG 660.A NH2 GLU 656.A OE2 no hydrogen 2.798 N/A ALA 661.A N SER 657.A O no hydrogen 3.067 N/A CYS 662.A SG CYS 659.A O no hydrogen 3.868 N/A CYS 662.A SG GLY 663.A O no hydrogen 3.916 N/A MET 664.A N ASP 298.A OD1 no hydrogen 2.541 N/A TYR 665.A OH HIS 632.A ND1 no hydrogen 2.640 N/A LEU 666.A N GLY 663.A O no hydrogen 3.208 N/A LYS 667.A N MET 664.A O no hydrogen 2.949 N/A LEU 669.A N TYR 665.A O no hydrogen 2.795 N/A ASN 670.A N LEU 666.A O no hydrogen 3.009 N/A ASN 670.A ND2 GLU 114.A O no hydrogen 3.025 N/A ARG 671.A N.A LYS 667.A O no hydrogen 3.298 N/A ARG 671.A N.A HIS 668.A O no hydrogen 3.148 N/A ARG 671.A N.B LYS 667.A O no hydrogen 3.291 N/A ARG 671.A NE.A GLY 717.A O no hydrogen 2.890 N/A ARG 671.A NE.B LYS 667.A O no hydrogen 3.436 N/A ARG 671.A NH2.A ASP 713.A O no hydrogen 2.853 N/A ARG 671.A NH2.A GLY 717.A O no hydrogen 3.191 N/A GLN 672.A N HIS 668.A O no hydrogen 3.086 N/A GLN 672.A NE2 TYR 665.A OH no hydrogen 3.100 N/A GLN 672.A NE2 HIS 668.A O no hydrogen 3.644 N/A VAL 673.A N LEU 669.A O no hydrogen 2.833 N/A GLU 674.A N ASN 670.A O no hydrogen 2.909 N/A ALA 675.A N ARG 671.A O.A no hydrogen 3.030 N/A ALA 675.A N ARG 671.A O.B no hydrogen 3.122 N/A MET 676.A N GLN 672.A O no hydrogen 2.932 N/A GLU 677.A N VAL 673.A O no hydrogen 2.999 N/A LYS 678.A N GLU 674.A O no hydrogen 3.205 N/A LYS 678.A NZ ASP 89.A OD1 no hydrogen 2.660 N/A LYS 678.A NZ ASP 710.A OD2 no hydrogen 2.969 N/A LEU 679.A N ALA 675.A O no hydrogen 3.293 N/A ILE 680.A N MET 676.A O no hydrogen 2.822 N/A ASN 681.A N GLU 677.A O no hydrogen 3.038 N/A ASN 681.A ND2 HIS 12.A O no hydrogen 2.899 N/A LEU 682.A N LYS 678.A O no hydrogen 2.976 N/A THR 683.A N LEU 679.A O no hydrogen 2.936 N/A THR 683.A OG1 LEU 679.A O no hydrogen 2.815 N/A THR 683.A OG1 ILE 680.A O no hydrogen 3.310 N/A ASP 684.A N ILE 680.A O no hydrogen 2.927 N/A ILE 685.A N ASN 681.A O no hydrogen 3.044 N/A LEU 686.A N LEU 682.A O no hydrogen 3.290 N/A LYS 687.A N THR 683.A O no hydrogen 3.068 N/A LYS 687.A NZ ASN 770.A O no hydrogen 3.113 N/A GLN 688.A N ILE 685.A O no hydrogen 3.248 N/A LYS 690.A N ILE 685.A O no hydrogen 3.002 N/A GLN 695.A NE2 ILE 738.A O no hydrogen 2.880 N/A VAL 697.A N THR 694.A OG1 no hydrogen 3.262 N/A GLN 698.A N THR 694.A O no hydrogen 3.047 N/A GLN 698.A NE2 LEU 686.A O no hydrogen 3.570 N/A GLN 698.A NE2 LYS 690.A O no hydrogen 2.561 N/A MET 699.A N GLN 695.A O no hydrogen 2.658 N/A LYS 700.A N LYS 696.A O no hydrogen 2.957 N/A PHE 701.A N VAL 697.A O no hydrogen 3.035 N/A LEU 702.A N GLN 698.A O no hydrogen 2.994 N/A VAL 703.A N MET 699.A O no hydrogen 3.173 N/A GLU 704.A N LYS 700.A O no hydrogen 3.185 N/A GLN 705.A N PHE 701.A O no hydrogen 3.240 N/A MET 706.A N LEU 702.A O no hydrogen 3.128 N/A MET 706.A N VAL 703.A O no hydrogen 3.163 N/A ARG 707.A N VAL 703.A O no hydrogen 3.332 N/A ARG 708.A N GLN 705.A O no hydrogen 3.118 N/A ARG 708.A NE ASP 710.A OD1 no hydrogen 3.304 N/A ARG 708.A NH1 GLN 705.A OE1 no hydrogen 2.427 N/A ARG 708.A NH2 ASP 710.A OD2 no hydrogen 2.450 N/A PHE 711.A N ARG 708.A O no hydrogen 2.989 N/A MET 712.A N ARG 708.A O no hydrogen 2.819 N/A ASP 713.A N PRO 709.A O no hydrogen 2.983 N/A LEU 715.A N PHE 711.A O no hydrogen 2.869 N/A GLN 716.A NE2 MET 712.A O no hydrogen 3.550 N/A GLY 717.A N GLY 729.A O no hydrogen 3.407 N/A PHE 718.A N LEU 728.A O no hydrogen 3.006 N/A SER 720.A N HIS 726.A O no hydrogen 2.990 N/A LEU 722.A N SER 720.A OG no hydrogen 3.110 N/A ASN 723.A N SER 720.A OG no hydrogen 3.306 N/A ALA 725.A N ASN 723.A OD1 no hydrogen 3.027 N/A HIS 726.A N ASN 723.A O no hydrogen 2.539 N/A LEU 728.A N PHE 718.A O no hydrogen 2.691 N/A GLY 729.A N GLU 751.A O no hydrogen 3.029 N/A LEU 731.A N GLN 716.A OE1 no hydrogen 2.851 N/A ARG 732.A N ASN 749.A O no hydrogen 2.883 N/A GLU 734.A N GLU 734.A OE1 no hydrogen 2.730 N/A GLU 735.A N ARG 732.A O no hydrogen 3.155 N/A CYS 736.A N LEU 733.A O no hydrogen 3.193 N/A CYS 736.A SG ARG 732.A O no hydrogen 3.366 N/A ARG 737.A N.A TRP 747.A O no hydrogen 3.069 N/A ARG 737.A N.B TRP 747.A O no hydrogen 3.061 N/A MET 739.A N PRO 745.A O no hydrogen 2.839 N/A LYS 743.A NZ GLY 771.A O no hydrogen 3.391 N/A ARG 744.A N SER 741.A O no hydrogen 3.250 N/A LEU 746.A N PHE 768.A O no hydrogen 2.936 N/A TRP 747.A N ARG 737.A O.A no hydrogen 2.794 N/A TRP 747.A N ARG 737.A O.B no hydrogen 2.803 N/A LEU 748.A N ILE 766.A O no hydrogen 2.805 N/A ASN 749.A ND2 GLU 735.A OE1 no hydrogen 2.545 N/A ASN 749.A ND2 ASN 763.A OD1 no hydrogen 3.684 N/A TRP 750.A N ASN 764.A O no hydrogen 3.119 N/A TRP 750.A NE1 LEU 715.A O no hydrogen 2.742 N/A GLU 751.A N ASN 730.A O no hydrogen 2.758 N/A ASN 752.A ND2 GLY 254.A O no hydrogen 2.751 N/A ASN 752.A ND2 PHE 761.A O no hydrogen 2.608 N/A ASP 754.A N ASN 752.A OD1 no hydrogen 2.945 N/A MET 756.A N ASP 754.A OD2 no hydrogen 3.050 N/A SER 757.A N ASP 754.A O no hydrogen 3.328 N/A SER 757.A OG ASN 752.A O no hydrogen 3.533 N/A SER 757.A OG GLN 762.A OE1 no hydrogen 2.228 N/A LEU 759.A N MET 756.A O no hydrogen 3.037 N/A ASN 764.A N TRP 750.A O no hydrogen 3.442 N/A ILE 766.A N LEU 748.A O no hydrogen 2.933 N/A ILE 767.A N ILE 815.A O no hydrogen 2.840 N/A PHE 768.A N LEU 746.A O no hydrogen 2.889 N/A LYS 769.A N GLY 813.A O no hydrogen 2.811 N/A ASN 770.A ND2 THR 683.A OG1 no hydrogen 3.185 N/A GLY 771.A N CYS 811.A O no hydrogen 2.676 N/A ARG 775.A N ASP 773.A OD1 no hydrogen 3.041 N/A ARG 775.A NE ASP 773.A OD1 no hydrogen 3.114 N/A ARG 775.A NE ASP 773.A OD2 no hydrogen 3.349 N/A ARG 775.A NH2 ASP 773.A OD2 no hydrogen 2.770 N/A MET 778.A N LEU 774.A O no hydrogen 2.925 N/A LEU 779.A N ARG 775.A O no hydrogen 3.086 N/A THR 780.A N GLN 776.A O no hydrogen 3.047 N/A THR 780.A OG1 GLN 776.A O no hydrogen 2.950 N/A LEU 781.A N ASP 777.A O no hydrogen 2.748 N/A GLN 782.A N MET 778.A O no hydrogen 3.033 N/A GLN 782.A NE2 GLN 597.A O no hydrogen 2.609 N/A GLN 782.A NE2 GLN 601.A OE1 no hydrogen 2.981 N/A ILE 783.A N LEU 779.A O no hydrogen 2.859 N/A ILE 784.A N THR 780.A O no hydrogen 2.926 N/A ARG 785.A N LEU 781.A O no hydrogen 3.002 N/A ILE 786.A N GLN 782.A O no hydrogen 2.969 N/A MET 787.A N ILE 783.A O no hydrogen 2.929 N/A GLU 788.A N ILE 784.A O no hydrogen 2.851 N/A ASN 789.A N ARG 785.A O no hydrogen 2.943 N/A ILE 790.A N ILE 786.A O no hydrogen 3.034 N/A TRP 791.A N MET 787.A O no hydrogen 2.987 N/A TRP 791.A NE1 ALA 948.A O no hydrogen 3.009 N/A GLN 792.A N GLU 788.A O no hydrogen 2.968 N/A GLN 792.A NE2 HIS 178.A NE2 no hydrogen 3.077 N/A ASN 793.A N ASN 789.A O no hydrogen 3.023 N/A GLN 794.A N ILE 790.A O no hydrogen 3.224 N/A GLN 794.A N TRP 791.A O no hydrogen 2.994 N/A GLN 794.A NE2 GLN 954.A OE1 no hydrogen 3.541 N/A GLY 795.A N GLN 792.A O no hydrogen 2.784 N/A LEU 796.A N TRP 791.A O no hydrogen 2.764 N/A ARG 799.A NH1 MET 276.A O no hydrogen 3.383 N/A MET 800.A N GLU 788.A OE2 no hydrogen 2.987 N/A LEU 801.A N TYR 865.A OH no hydrogen 2.948 N/A GLY 804.A N GLU 816.A OE1 no hydrogen 2.783 N/A LEU 806.A N LEU 814.A O no hydrogen 2.943 N/A ILE 808.A N VAL 812.A O no hydrogen 3.071 N/A CYS 811.A SG ASP 810.A OD1 no hydrogen 3.544 N/A GLY 813.A N LYS 769.A O no hydrogen 2.795 N/A LEU 814.A N LEU 806.A O no hydrogen 3.041 N/A ILE 815.A N ILE 767.A O no hydrogen 2.826 N/A GLU 816.A N GLY 804.A O no hydrogen 2.675 N/A VAL 817.A N GLU 765.A O no hydrogen 3.107 N/A SER 821.A OG VAL 818.A O no hydrogen 3.165 N/A HIS 822.A N VAL 884.A O no hydrogen 3.030 N/A THR 823.A N GLN 826.A OE1 no hydrogen 2.883 N/A ILE 824.A N ILE 882.A O no hydrogen 3.144 N/A MET 825.A N ASN 879.A O no hydrogen 3.055 N/A GLN 826.A N THR 823.A OG1 no hydrogen 2.966 N/A ILE 827.A N THR 823.A O no hydrogen 2.875 N/A GLN 828.A N ILE 824.A O no hydrogen 2.776 N/A CYS 829.A N MET 825.A O no hydrogen 3.113 N/A CYS 829.A N GLN 826.A O no hydrogen 3.173 N/A LYS 830.A N ILE 827.A O no hydrogen 2.936 N/A HIS 836.A N ASN 834.A OD1 no hydrogen 3.186 N/A THR 837.A N ASN 834.A O no hydrogen 3.261 N/A THR 837.A OG1 ASN 834.A O no hydrogen 2.884 N/A THR 837.A OG1 ASN 834.A OD1 no hydrogen 3.441 N/A HIS 839.A NE2 TYR 851.A OH no hydrogen 2.757 N/A GLN 840.A N HIS 836.A O no hydrogen 3.041 N/A TRP 841.A N THR 837.A O no hydrogen 2.836 N/A LEU 842.A N LEU 838.A O no hydrogen 2.914 N/A LYS 843.A N HIS 839.A O no hydrogen 2.942 N/A LYS 843.A NZ GLN 840.A OE1 no hydrogen 3.434 N/A ASP 844.A N GLN 840.A O no hydrogen 2.936 N/A LYS 845.A N TRP 841.A O no hydrogen 3.094 N/A LYS 845.A NZ ASP 886.A OD2 no hydrogen 3.481 N/A ASN 846.A N LEU 842.A O no hydrogen 3.047 N/A ASN 846.A ND2 LEU 842.A O no hydrogen 3.313 N/A ASN 846.A ND2 ASP 886.A O no hydrogen 2.872 N/A TYR 851.A N GLY 848.A O no hydrogen 3.066 N/A TYR 851.A OH HIS 839.A NE2 no hydrogen 2.757 N/A ALA 854.A N ILE 850.A O no hydrogen 3.399 N/A ILE 855.A N TYR 851.A O no hydrogen 3.226 N/A ASP 856.A N ASP 852.A O no hydrogen 2.903 N/A LEU 857.A N ALA 853.A O no hydrogen 2.806 N/A PHE 858.A N ALA 854.A O no hydrogen 3.023 N/A THR 859.A N ILE 855.A O no hydrogen 2.837 N/A THR 859.A OG1 ILE 855.A O no hydrogen 2.725 N/A ARG 860.A N ASP 856.A O no hydrogen 3.044 N/A ARG 860.A NE ASP 856.A OD1 no hydrogen 3.031 N/A ARG 860.A NE ASP 856.A OD2 no hydrogen 3.205 N/A ARG 860.A NH1 ASP 797.A O no hydrogen 2.971 N/A SER 861.A N LEU 857.A O no hydrogen 2.959 N/A SER 861.A OG LEU 857.A O no hydrogen 2.738 N/A SER 861.A OG PHE 858.A O no hydrogen 2.931 N/A CYS 862.A N PHE 858.A O no hydrogen 3.009 N/A ALA 863.A N THR 859.A O no hydrogen 2.917 N/A GLY 864.A N ARG 860.A O no hydrogen 3.105 N/A TYR 865.A N SER 861.A O no hydrogen 3.106 N/A CYS 866.A N CYS 862.A O no hydrogen 2.895 N/A VAL 867.A N ALA 863.A O no hydrogen 2.941 N/A ALA 868.A N GLY 864.A O no hydrogen 2.872 N/A THR 869.A N TYR 865.A O no hydrogen 3.046 N/A THR 869.A OG1 TYR 865.A O no hydrogen 2.684 N/A THR 869.A OG1 CYS 866.A O no hydrogen 3.408 N/A PHE 870.A N CYS 866.A O no hydrogen 3.225 N/A ILE 871.A N VAL 867.A O no hydrogen 3.119 N/A LEU 872.A N ALA 868.A O no hydrogen 2.891 N/A GLY 873.A N THR 869.A O no hydrogen 2.985 N/A GLY 873.A N PHE 870.A O no hydrogen 3.268 N/A ILE 874.A N THR 869.A O no hydrogen 3.390 N/A GLY 875.A N HIS 897.A O no hydrogen 3.240 N/A ARG 877.A N PRO 914.A O no hydrogen 3.185 N/A ARG 877.A NE GLY 875.A O no hydrogen 2.979 N/A ARG 877.A NH1 ASN 881.A O no hydrogen 3.291 N/A ARG 877.A NH1 ILE 893.A O no hydrogen 2.813 N/A ARG 877.A NH1 ASP 894.A O no hydrogen 3.483 N/A ARG 877.A NH2 GLY 875.A O no hydrogen 2.970 N/A ARG 877.A NH2 ASP 894.A O no hydrogen 3.140 N/A HIS 878.A N ASN 881.A OD1 no hydrogen 2.738 N/A ASN 879.A ND2 GLN 828.A OE1 no hydrogen 3.522 N/A SER 880.A N HIS 878.A ND1 no hydrogen 3.233 N/A ASN 881.A N HIS 878.A ND1 no hydrogen 3.385 N/A ASN 881.A ND2 ASP 876.A O no hydrogen 3.080 N/A MET 883.A N PHE 891.A O no hydrogen 2.814 N/A VAL 884.A N HIS 822.A O no hydrogen 2.868 N/A LYS 885.A N GLN 889.A O no hydrogen 2.825 N/A ASP 886.A N ASN 820.A O no hydrogen 3.055 N/A GLY 888.A N LYS 885.A O no hydrogen 2.716 N/A GLN 889.A N ASP 887.A OD1 no hydrogen 3.360 N/A LEU 890.A N SER 861.A OG no hydrogen 3.011 N/A PHE 891.A N MET 883.A O no hydrogen 3.036 N/A ILE 893.A N ASN 881.A O no hydrogen 2.937 N/A ASP 894.A N TYR 803.A OH no hydrogen 3.344 N/A PHE 895.A N ASP 777.A OD1 no hydrogen 2.890 N/A HIS 897.A N PHE 895.A O no hydrogen 2.744 N/A PHE 898.A N GLU 973.A OE1 no hydrogen 2.875 N/A LEU 899.A N LEU 872.A O no hydrogen 2.884 N/A HIS 901.A ND1.A LEU 899.A O no hydrogen 3.243 N/A LYS 903.A N ASP 900.A O no hydrogen 2.970 N/A LYS 904.A N ASP 900.A O no hydrogen 3.354 N/A PHE 906.A N LYS 902.A O no hydrogen 2.956 N/A GLY 907.A N LYS 903.A O no hydrogen 2.968 N/A ARG 912.A NH1 ILE 874.A O no hydrogen 3.231 N/A ARG 912.A NH2 ILE 874.A O no hydrogen 2.843 N/A LEU 917.A N HIS 1008.A NE2 no hydrogen 2.680 N/A THR 918.A OG1 ASP 920.A OD2 no hydrogen 2.852 N/A PHE 921.A N THR 918.A O no hydrogen 2.888 N/A LEU 922.A N THR 918.A O no hydrogen 3.146 N/A ILE 923.A N GLN 919.A O no hydrogen 2.738 N/A VAL 924.A N ASP 920.A O no hydrogen 3.316 N/A ILE 925.A N PHE 921.A O no hydrogen 2.895 N/A SER 926.A N LEU 922.A O no hydrogen 2.872 N/A SER 926.A OG CYS 932.A O no hydrogen 2.776 N/A SER 926.A OG THR 935.A OG1 no hydrogen 2.752 N/A LYS 927.A N VAL 924.A O no hydrogen 2.999 N/A LYS 927.A NZ ASP 852.A OD1 no hydrogen 2.779 N/A GLY 928.A N ILE 923.A O no hydrogen 2.960 N/A ALA 929.A N SER 926.A O no hydrogen 3.332 N/A CYS 932.A SG ALA 929.A O no hydrogen 3.457 N/A THR 935.A OG1 SER 926.A OG no hydrogen 2.752 N/A THR 935.A OG1 CYS 932.A O no hydrogen 3.083 N/A GLU 937.A N GLU 937.A OE1 no hydrogen 3.055 N/A PHE 938.A N THR 935.A OG1 no hydrogen 3.233 N/A GLU 939.A N THR 935.A O no hydrogen 3.267 N/A ARG 940.A N ARG 936.A O no hydrogen 2.955 N/A ARG 940.A NH2 ASP 856.A OD1 no hydrogen 2.688 N/A PHE 941.A N GLU 937.A O no hydrogen 2.964 N/A GLN 942.A N PHE 938.A O no hydrogen 2.975 N/A GLN 942.A NE2 PHE 938.A O no hydrogen 3.559 N/A GLU 943.A N GLU 939.A O no hydrogen 2.997 N/A MET 944.A N ARG 940.A O no hydrogen 3.070 N/A CYS 945.A N PHE 941.A O no hydrogen 3.032 N/A CYS 945.A SG PHE 941.A O no hydrogen 3.368 N/A TYR 946.A N GLN 942.A O no hydrogen 2.857 N/A TYR 946.A OH THR 1013.A O no hydrogen 3.158 N/A LYS 947.A N GLU 943.A O no hydrogen 2.821 N/A LYS 947.A NZ GLU 943.A OE2 no hydrogen 2.875 N/A ALA 948.A N MET 944.A O no hydrogen 2.819 N/A TYR 949.A N CYS 945.A O no hydrogen 2.868 N/A TYR 949.A OH THR 986.A O no hydrogen 2.698 N/A LEU 950.A N TYR 946.A O no hydrogen 3.171 N/A ALA 951.A N LYS 947.A O no hydrogen 3.063 N/A ILE 952.A N ALA 948.A O no hydrogen 3.299 N/A ARG 953.A N TYR 949.A O no hydrogen 2.968 N/A ARG 953.A NE LEU 987.A O no hydrogen 2.663 N/A ARG 953.A NH2 ALA 988.A O no hydrogen 2.727 N/A ARG 953.A NH2 LYS 991.A O no hydrogen 2.783 N/A GLN 954.A N LEU 950.A O no hydrogen 2.886 N/A GLN 954.A NE2 GLU 993.A OE2 no hydrogen 3.202 N/A HIS 955.A N ALA 951.A O no hydrogen 3.249 N/A HIS 955.A N ILE 952.A O no hydrogen 2.967 N/A HIS 955.A ND1 ALA 951.A O no hydrogen 3.020 N/A ALA 956.A N ARG 953.A O no hydrogen 3.040 N/A LEU 958.A N HIS 955.A O no hydrogen 2.804 N/A ILE 960.A N ALA 956.A O no hydrogen 2.889 N/A ASN 961.A N ASN 957.A O no hydrogen 2.814 N/A ASN 961.A ND2 GLU 563.A O no hydrogen 3.014 N/A LEU 962.A N LEU 958.A O no hydrogen 2.865 N/A PHE 963.A N PHE 959.A O no hydrogen 2.933 N/A SER 964.A N ILE 960.A O no hydrogen 2.852 N/A SER 964.A OG ILE 960.A O no hydrogen 3.051 N/A MET 965.A N ASN 961.A O no hydrogen 3.075 N/A MET 966.A N PHE 963.A O no hydrogen 2.924 N/A LEU 967.A N SER 964.A O no hydrogen 3.310 N/A GLY 968.A N TYR 608.A OH no hydrogen 2.915 N/A SER 969.A N MET 966.A O no hydrogen 2.941 N/A LEU 974.A N MET 971.A O no hydrogen 2.822 N/A GLN 975.A N ASP 979.A OD2 no hydrogen 2.318 N/A GLN 975.A NE2 HIS 439.A O no hydrogen 2.723 N/A SER 976.A N ASP 979.A OD2 no hydrogen 3.077 N/A ASP 979.A N SER 976.A O no hydrogen 3.094 N/A ALA 981.A N ASP 978.A O no hydrogen 3.089 N/A TYR 982.A N ASP 979.A O no hydrogen 3.384 N/A ILE 983.A N ILE 980.A O no hydrogen 3.110 N/A ARG 984.A NE ASP 505.A OD2 no hydrogen 2.736 N/A ARG 984.A NH1 ASP 990.A OD2 no hydrogen 3.231 N/A ARG 984.A NH2 ASP 505.A OD1 no hydrogen 3.149 N/A ARG 984.A NH2 ASP 505.A OD2 no hydrogen 3.225 N/A ARG 984.A NH2 ASP 990.A OD1 no hydrogen 3.075 N/A LYS 985.A N ALA 981.A O no hydrogen 3.129 N/A LYS 985.A N TYR 982.A O no hydrogen 2.730 N/A THR 986.A N TYR 982.A O no hydrogen 2.990 N/A THR 986.A OG1 ILE 871.A O no hydrogen 2.836 N/A THR 986.A OG1 ILE 983.A O no hydrogen 3.465 N/A LEU 987.A N ILE 983.A O no hydrogen 2.994 N/A ALA 988.A N LYS 985.A O no hydrogen 2.911 N/A LEU 989.A N ARG 984.A O no hydrogen 3.053 N/A LYS 991.A N ALA 988.A O no hydrogen 2.889 N/A THR 992.A N GLU 995.A OE1 no hydrogen 2.881 N/A GLN 994.A NE2.B HIS 1021.A ND1 no hydrogen 3.007 N/A GLU 995.A N THR 992.A OG1 no hydrogen 3.041 N/A ALA 996.A N THR 992.A O no hydrogen 2.762 N/A LEU 997.A N GLU 993.A O no hydrogen 3.060 N/A GLU 998.A N GLN 994.A O.A no hydrogen 3.203 N/A GLU 998.A N GLN 994.A O.B no hydrogen 3.251 N/A TYR 999.A N GLU 995.A O no hydrogen 2.936 N/A TYR 999.A OH GLU 911.A OE1 no hydrogen 2.489 N/A PHE 1000.A N ALA 996.A O no hydrogen 2.904 N/A MET 1001.A N LEU 997.A O no hydrogen 2.890 N/A LYS 1002.A N GLU 998.A O no hydrogen 2.890 N/A LYS 1002.A NZ ASP 1006.A OD2 no hydrogen 3.192 N/A GLN 1003.A N TYR 999.A O no hydrogen 3.009 N/A MET 1004.A N PHE 1000.A O no hydrogen 3.158 N/A ASN 1005.A N MET 1001.A O no hydrogen 3.006 N/A ASN 1005.A ND2 TRP 1012.A O no hydrogen 3.196 N/A ASP 1006.A N LYS 1002.A O no hydrogen 2.951 N/A ALA 1007.A N GLN 1003.A O no hydrogen 3.080 N/A HIS 1008.A N MET 1004.A O no hydrogen 2.757 N/A HIS 1008.A ND1 MET 1004.A O no hydrogen 2.810 N/A GLY 1010.A N ASN 1005.A O no hydrogen 3.163 N/A TRP 1012.A N ASN 1005.A OD1 no hydrogen 3.008 N/A THR 1013.A N GLN 942.A OE1 no hydrogen 2.797 N/A THR 1014.A OG1 MET 1016.A O no hydrogen 3.336 N/A MET 1016.A N THR 1014.A OG1 no hydrogen 3.116 N/A ASP 1017.A N THR 1022.A O no hydrogen 3.418 N/A PHE 1020.A N ASP 1017.A OD2 no hydrogen 2.881 N/A HIS 1021.A N ASP 1017.A O no hydrogen 3.347 N/A THR 1022.A N ASP 1017.A OD1 no hydrogen 2.938 N/A LYS 1024.A N LYS 1015.A O no hydrogen 3.169 N/A