Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3p0j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 MET 3.A O no hydrogen 3.019 N/A GLU 7.A N ASN 4.A OD1 no hydrogen 2.763 N/A ARG 8.A N ASN 4.A O no hydrogen 3.007 N/A ARG 8.A NE ALA 65.A O no hydrogen 2.999 N/A ARG 8.A NH2 ILE 29.A O no hydrogen 3.114 N/A TYR 9.A N THR 5.A O no hydrogen 3.219 N/A LYS 10.A N ASP 6.A O no hydrogen 2.973 N/A LEU 11.A N GLU 7.A O no hydrogen 3.132 N/A LEU 12.A N ARG 8.A O no hydrogen 3.035 N/A ARG 13.A N TYR 9.A O no hydrogen 2.838 N/A ARG 13.A NE GLU 22.A OE1 no hydrogen 2.765 N/A ARG 13.A NH1 ARG 13.A O no hydrogen 3.316 N/A ARG 13.A NH2 GLU 22.A OE1 no hydrogen 3.110 N/A SER 14.A N LYS 10.A O no hydrogen 3.105 N/A SER 14.A OG LEU 11.A O no hydrogen 3.238 N/A VAL 15.A N LEU 12.A O no hydrogen 3.217 N/A GLY 16.A N ARG 13.A O no hydrogen 2.971 N/A GLU 17.A N SER 204.A O no hydrogen 2.658 N/A GLU 18.A N SER 204.A O no hydrogen 3.413 N/A CYS 19.A SG GLN 21.A O no hydrogen 3.404 N/A ILE 20.A N ILE 202.A O no hydrogen 3.003 N/A LEU 25.A N GLN 21.A O no hydrogen 3.336 N/A ARG 26.A N GLU 22.A O no hydrogen 2.740 N/A ARG 26.A NH2 ASP 6.A OD1 no hydrogen 3.193 N/A ASN 27.A N SER 23.A O no hydrogen 3.021 N/A LEU 28.A N GLU 24.A O no hydrogen 3.139 N/A LEU 28.A N LEU 25.A O no hydrogen 3.128 N/A ILE 29.A N LEU 25.A O no hydrogen 3.027 N/A GLU 30.A N ARG 26.A O no hydrogen 2.758 N/A LYS 31.A N ASN 27.A O no hydrogen 3.153 N/A LYS 31.A NZ ASN 27.A OD1 no hydrogen 2.588 N/A LYS 32.A N LEU 28.A O no hydrogen 2.818 N/A LYS 32.A NZ ASP 172.A OD1 no hydrogen 3.359 N/A LYS 32.A NZ ASP 172.A OD2 no hydrogen 2.635 N/A ARG 36.A N ASP 172.A OD2 no hydrogen 3.008 N/A CYS 37.A N GLU 68.A O no hydrogen 3.000 N/A TYR 38.A N ILE 173.A O no hydrogen 3.054 N/A ASP 39.A N VAL 70.A O no hydrogen 3.072 N/A GLY 40.A N ASP 39.A OD1 no hydrogen 2.751 N/A PHE 41.A N TRP 72.A O no hydrogen 3.127 N/A ARG 46.A N SER 44.A OG no hydrogen 3.336 N/A ILE 49.A N ILE 227.A O no hydrogen 2.674 N/A GLN 51.A N HIS 48.A O no hydrogen 2.859 N/A GLY 52.A N HIS 48.A O no hydrogen 3.015 N/A ILE 53.A N ILE 49.A O no hydrogen 2.838 N/A PHE 54.A N ILE 49.A O no hydrogen 3.331 N/A LYS 55.A N ALA 50.A O no hydrogen 3.096 N/A LYS 55.A NZ ASP 39.A OD2 no hydrogen 2.696 N/A LYS 55.A NZ GLN 175.A O no hydrogen 3.505 N/A LYS 55.A NZ GLN 175.A OE1 no hydrogen 2.677 N/A VAL 57.A N ILE 53.A O no hydrogen 3.073 N/A ASN 58.A N PHE 54.A O no hydrogen 3.111 N/A VAL 59.A N LYS 55.A O no hydrogen 2.635 N/A ASN 60.A N ALA 56.A O no hydrogen 2.815 N/A ASN 60.A ND2 GLY 106.A O no hydrogen 3.019 N/A LYS 61.A N VAL 57.A O no hydrogen 3.145 N/A LYS 61.A NZ SER 14.A OG no hydrogen 2.684 N/A CYS 62.A N ASN 58.A O no hydrogen 3.202 N/A CYS 62.A N VAL 59.A O no hydrogen 2.999 N/A CYS 62.A SG ASN 58.A O no hydrogen 3.047 N/A THR 63.A N VAL 59.A O no hydrogen 3.014 N/A THR 63.A OG1 VAL 59.A O no hydrogen 2.941 N/A THR 63.A OG1 ASN 60.A O no hydrogen 2.936 N/A ALA 64.A N ASN 60.A O no hydrogen 2.848 N/A ALA 65.A N LYS 61.A O no hydrogen 2.936 N/A GLY 66.A N THR 63.A O no hydrogen 2.935 N/A CYS 67.A N CYS 62.A O no hydrogen 2.739 N/A GLU 68.A N ILE 35.A O no hydrogen 2.833 N/A PHE 69.A N LYS 111.A O no hydrogen 2.795 N/A VAL 70.A N CYS 37.A O no hydrogen 2.662 N/A PHE 71.A N LEU 113.A O no hydrogen 2.846 N/A TRP 72.A N ASP 39.A O no hydrogen 2.839 N/A VAL 73.A N LEU 115.A O no hydrogen 2.776 N/A ALA 74.A N PHE 41.A O no hydrogen 2.872 N/A ASP 75.A N VAL 73.A O no hydrogen 2.722 N/A ALA 78.A N ASP 75.A O no hydrogen 2.927 N/A LEU 79.A N TRP 76.A O no hydrogen 3.056 N/A MET 80.A N PHE 77.A O no hydrogen 3.291 N/A ASN 81.A N ALA 78.A O no hydrogen 3.317 N/A GLY 86.A N ASP 82.A O no hydrogen 2.885 N/A GLY 86.A N VAL 84.A O no hydrogen 2.918 N/A LEU 88.A N ASP 82.A OD2 no hydrogen 3.416 N/A LYS 90.A NZ GLY 85.A O no hydrogen 3.543 N/A ILE 91.A N GLU 87.A O no hydrogen 2.962 N/A ARG 92.A N LEU 88.A O no hydrogen 2.982 N/A ARG 92.A NH1 GLU 119.A OE2 no hydrogen 3.444 N/A ILE 93.A N GLU 89.A O no hydrogen 3.289 N/A VAL 94.A N LYS 90.A O no hydrogen 3.086 N/A GLY 95.A N ILE 91.A O no hydrogen 3.018 N/A ARG 96.A N ARG 92.A O no hydrogen 2.600 N/A TYR 97.A N ILE 93.A O no hydrogen 2.728 N/A LEU 98.A N VAL 94.A O no hydrogen 2.992 N/A ILE 99.A N GLY 95.A O no hydrogen 2.964 N/A GLU 100.A N ARG 96.A O no hydrogen 3.062 N/A VAL 101.A N TYR 97.A O no hydrogen 2.818 N/A TRP 102.A N LEU 98.A O no hydrogen 2.913 N/A TRP 102.A NE1 GLN 51.A O no hydrogen 2.698 N/A LYS 103.A N ILE 99.A O no hydrogen 2.842 N/A LYS 103.A NZ GLU 100.A OE2 no hydrogen 3.247 N/A ALA 104.A N GLU 100.A O no hydrogen 3.300 N/A ALA 105.A N VAL 101.A O no hydrogen 2.960 N/A ALA 105.A N TRP 102.A O no hydrogen 3.239 N/A GLY 106.A N LYS 103.A O no hydrogen 3.066 N/A MET 107.A N TRP 102.A O no hydrogen 3.164 N/A ASP 108.A N ASN 60.A OD1 no hydrogen 2.832 N/A ASP 110.A N ASP 108.A OD1 no hydrogen 3.144 N/A LYS 111.A NZ THR 63.A O no hydrogen 3.006 N/A VAL 112.A N MET 109.A O no hydrogen 3.136 N/A LEU 113.A N PHE 69.A O no hydrogen 2.735 N/A LEU 115.A N PHE 71.A O no hydrogen 2.774 N/A SER 117.A N VAL 73.A O no hydrogen 3.101 N/A SER 118.A N ASP 75.A OD1 no hydrogen 2.635 N/A SER 118.A OG ASP 75.A OD1 no hydrogen 3.089 N/A SER 118.A OG ASP 75.A OD2 no hydrogen 2.420 N/A GLU 120.A N TRP 116.A O no hydrogen 2.760 N/A ILE 121.A N SER 117.A O no hydrogen 2.886 N/A THR 122.A OG1 SER 118.A O no hydrogen 3.012 N/A THR 122.A OG1 GLU 119.A O no hydrogen 3.326 N/A SER 123.A N GLU 120.A O no hydrogen 3.012 N/A SER 123.A OG GLU 119.A O no hydrogen 2.847 N/A HIS 124.A N GLU 120.A O no hydrogen 3.307 N/A HIS 124.A N ILE 121.A O no hydrogen 3.026 N/A THR 127.A OG1 ASP 126.A OD2 no hydrogen 3.168 N/A TYR 128.A N HIS 124.A O no hydrogen 2.978 N/A TYR 128.A OH ASP 165.A OD1 no hydrogen 2.926 N/A TRP 129.A N ALA 125.A O no hydrogen 2.929 N/A ARG 130.A N ASP 126.A O no hydrogen 3.121 N/A ARG 130.A NH2 ASP 400.A O no hydrogen 3.566 N/A VAL 132.A N TYR 128.A O no hydrogen 2.979 N/A LEU 133.A N TRP 129.A O no hydrogen 3.169 N/A ASP 134.A N ARG 130.A O no hydrogen 2.998 N/A ILE 135.A N MET 131.A O no hydrogen 2.973 N/A GLY 136.A N VAL 132.A O no hydrogen 3.308 N/A ARG 137.A N LEU 133.A O no hydrogen 2.753 N/A ARG 137.A NE ASP 134.A OD1 no hydrogen 3.085 N/A GLN 138.A N ASP 134.A O no hydrogen 2.931 N/A GLN 138.A NE2 ASP 134.A OD2 no hydrogen 2.956 N/A ASN 139.A N GLY 136.A O no hydrogen 3.209 N/A ASN 139.A ND2 ILE 135.A O no hydrogen 2.624 N/A ARG 143.A N THR 140.A O no hydrogen 2.762 N/A ARG 143.A NE GLU 189.A OE1 no hydrogen 3.156 N/A ARG 143.A NE GLU 189.A OE2 no hydrogen 3.225 N/A ARG 143.A NH1 ARG 143.A O no hydrogen 2.728 N/A ARG 143.A NH2 LYS 182.A O no hydrogen 3.453 N/A ARG 143.A NH2 GLU 189.A OE2 no hydrogen 2.907 N/A ILE 144.A N ILE 141.A O no hydrogen 2.925 N/A LYS 145.A N ILE 141.A O no hydrogen 2.935 N/A LYS 146.A N ALA 142.A O no hydrogen 3.354 N/A CYS 147.A N ILE 144.A O no hydrogen 3.315 N/A CYS 147.A SG ARG 143.A O no hydrogen 3.740 N/A CYS 147.A SG LYS 182.A O no hydrogen 3.648 N/A CYS 148.A N LYS 145.A O no hydrogen 3.002 N/A CYS 148.A SG ILE 144.A O no hydrogen 3.256 N/A CYS 148.A SG LYS 145.A O no hydrogen 3.648 N/A CYS 148.A SG GLN 155.A O no hydrogen 3.397 N/A ALA 153.A N GLN 155.A OE1 no hydrogen 3.312 N/A ALA 154.A N ALA 460.A O no hydrogen 3.254 N/A MET 161.A N LEU 157.A O no hydrogen 3.026 N/A GLN 162.A N TYR 158.A O no hydrogen 2.901 N/A GLN 162.A NE2 GLN 180.A OE1 no hydrogen 3.518 N/A CYS 163.A N PRO 159.A O no hydrogen 2.733 N/A CYS 164.A N LEU 160.A O no hydrogen 2.835 N/A CYS 164.A SG TYR 128.A O no hydrogen 3.547 N/A ASP 165.A N MET 161.A O no hydrogen 2.997 N/A ILE 166.A N GLN 162.A O no hydrogen 3.410 N/A PHE 167.A N CYS 164.A O no hydrogen 2.723 N/A PHE 168.A N CYS 164.A O no hydrogen 2.903 N/A LEU 169.A N ASP 165.A O no hydrogen 2.953 N/A LYS 170.A N PHE 167.A O no hydrogen 3.065 N/A ALA 171.A N ILE 166.A O no hydrogen 3.201 N/A ASP 172.A N ARG 36.A O no hydrogen 3.039 N/A ILE 173.A N ARG 36.A O no hydrogen 2.785 N/A CYS 174.A N VAL 201.A O no hydrogen 2.903 N/A CYS 174.A SG ASN 184.A OD1 no hydrogen 3.171 N/A GLN 175.A N TYR 38.A O no hydrogen 3.016 N/A LEU 178.A N HIS 205.A O no hydrogen 3.198 N/A GLN 180.A N GLY 177.A O no hydrogen 3.026 N/A GLN 180.A NE2 ASP 179.A OD1 no hydrogen 2.715 N/A ARG 181.A N LEU 178.A O no hydrogen 3.111 N/A ARG 181.A NE GLU 18.A OE1 no hydrogen 3.264 N/A ARG 181.A NE GLU 18.A OE2 no hydrogen 3.274 N/A ARG 181.A NH1 ASP 257.A O no hydrogen 3.565 N/A ARG 181.A NH2 GLU 18.A OE1 no hydrogen 3.413 N/A ASN 184.A N GLN 180.A O no hydrogen 3.260 N/A MET 185.A N ARG 181.A O no hydrogen 2.839 N/A LEU 186.A N LYS 182.A O no hydrogen 2.962 N/A ALA 187.A N VAL 183.A O no hydrogen 3.251 N/A ARG 188.A N ASN 184.A O no hydrogen 3.346 N/A ARG 188.A NH1 GLU 24.A OE1 no hydrogen 2.775 N/A ARG 188.A NH1 PRO 200.A O no hydrogen 3.100 N/A GLU 189.A N MET 185.A O no hydrogen 3.136 N/A TYR 190.A N LEU 186.A O no hydrogen 2.914 N/A TYR 190.A N ALA 187.A O no hydrogen 3.035 N/A TYR 190.A OH ASP 134.A OD2 no hydrogen 3.021 N/A CYS 191.A N ALA 187.A O no hydrogen 3.062 N/A CYS 191.A SG ALA 187.A O no hydrogen 3.604 N/A CYS 191.A SG LEU 198.A O no hydrogen 3.684 N/A LEU 193.A N GLU 189.A O no hydrogen 3.433 N/A ILE 194.A N CYS 191.A O no hydrogen 2.972 N/A GLY 195.A N ASP 192.A O no hydrogen 3.194 N/A ARG 196.A N CYS 191.A O no hydrogen 2.985 N/A VAL 201.A N ASP 172.A O no hydrogen 3.158 N/A LEU 203.A N CYS 174.A O no hydrogen 2.823 N/A SER 204.A OG GLU 18.A OE2 no hydrogen 3.454 N/A HIS 205.A N LEU 176.A O no hydrogen 3.004 N/A HIS 205.A ND1 HIS 206.A O no hydrogen 2.740 N/A HIS 206.A ND1 GLU 17.A OE1 no hydrogen 2.599 N/A HIS 206.A NE2 ASP 272.A OD2 no hydrogen 3.027 N/A ALA 209.A N ASP 272.A OD2 no hydrogen 3.157 N/A GLY 210.A N GLN 215.A O no hydrogen 2.976 N/A LEU 211.A N SER 225.A O no hydrogen 2.984 N/A LYS 212.A N GLN 215.A OE1 no hydrogen 2.827 N/A GLN 213.A NE2 ASP 265.A OD2 no hydrogen 3.280 N/A GLN 215.A N LYS 212.A O no hydrogen 3.286 N/A LYS 217.A NZ ASP 179.A OD2 no hydrogen 3.453 N/A SER 219.A N SER 225.A OG no hydrogen 2.928 N/A SER 221.A OG SER 219.A OG no hydrogen 3.283 N/A ASP 222.A N SER 219.A O no hydrogen 3.190 N/A ASP 224.A N ASP 222.A OD1 no hydrogen 3.387 N/A SER 225.A N ASP 222.A O no hydrogen 2.963 N/A SER 225.A OG SER 219.A O no hydrogen 3.270 N/A SER 225.A OG ASP 222.A O no hydrogen 2.437 N/A ILE 227.A N TYR 273.A OH no hydrogen 3.407 N/A PHE 228.A N ASP 231.A OD2 no hydrogen 2.820 N/A MET 229.A N MET 47.A O no hydrogen 3.040 N/A ASP 231.A N PHE 228.A O no hydrogen 3.186 N/A THR 232.A OG1 ASP 235.A OD2 no hydrogen 2.983 N/A ASP 235.A N THR 232.A O no hydrogen 2.830 N/A VAL 236.A N THR 232.A O no hydrogen 3.336 N/A ALA 237.A N GLU 233.A O no hydrogen 3.145 N/A ARG 238.A N GLU 234.A O no hydrogen 2.996 N/A ARG 238.A NH1 ASP 224.A OD1 no hydrogen 3.053 N/A ARG 238.A NH1 ASP 224.A OD2 no hydrogen 2.928 N/A ARG 238.A NH2 ASP 224.A OD1 no hydrogen 3.368 N/A LYS 239.A N ASP 235.A O no hydrogen 2.911 N/A LYS 239.A NZ PRO 223.A O no hydrogen 2.800 N/A LYS 239.A NZ ALA 226.A O no hydrogen 2.725 N/A LYS 239.A NZ ASP 231.A OD2 no hydrogen 2.671 N/A ILE 240.A N VAL 236.A O no hydrogen 3.051 N/A ARG 241.A N ALA 237.A O no hydrogen 2.989 N/A ARG 241.A NH2 ASP 311.A O no hydrogen 3.115 N/A ARG 241.A NH2 SER 315.A OG no hydrogen 2.510 N/A ALA 243.A N ILE 240.A O no hydrogen 2.559 N/A TYR 244.A N LEU 211.A O no hydrogen 2.844 N/A TYR 244.A OH ASP 265.A O no hydrogen 2.881 N/A GLN 250.A N GLU 300.A OE1 no hydrogen 2.661 N/A GLN 250.A NE2 VAL 248.A O no hydrogen 3.454 N/A GLN 250.A NE2 LYS 249.A O no hydrogen 3.465 N/A GLN 250.A NE2 ASP 266.A O no hydrogen 2.626 N/A SER 251.A OG ALA 252.A O no hydrogen 3.552 N/A GLY 259.A N THR 256.A O no hydrogen 2.788 N/A THR 264.A OG1 VAL 262.A O no hydrogen 3.425 N/A ARG 267.A NH2 SER 253.A OG no hydrogen 3.294 N/A ASN 268.A N GLN 250.A OE1 no hydrogen 2.513 N/A ASN 268.A ND2 PRO 246.A O no hydrogen 2.520 N/A LEU 271.A N ASN 268.A OD1 no hydrogen 2.960 N/A ASP 272.A N PRO 269.A O no hydrogen 3.185 N/A TYR 273.A N PRO 269.A O no hydrogen 3.023 N/A PHE 274.A N VAL 270.A O no hydrogen 3.157 N/A GLN 275.A N LEU 271.A O no hydrogen 3.311 N/A GLN 275.A N ASP 272.A O no hydrogen 3.090 N/A CYS 276.A N ASP 272.A O no hydrogen 2.803 N/A CYS 276.A SG ASP 272.A O no hydrogen 3.252 N/A CYS 276.A SG ASP 272.A OD1 no hydrogen 3.460 N/A VAL 277.A N TYR 273.A O no hydrogen 2.721 N/A VAL 278.A N TYR 273.A O no hydrogen 3.309 N/A TYR 279.A N PHE 274.A O no hydrogen 3.079 N/A TYR 279.A OH TYR 293.A O no hydrogen 2.914 N/A ALA 280.A N GLN 275.A O no hydrogen 3.043 N/A ARG 281.A N VAL 278.A O no hydrogen 2.979 N/A ALA 284.A N ARG 281.A O no hydrogen 3.178 N/A ALA 286.A N TYR 279.A OH no hydrogen 3.176 N/A THR 287.A OG1 THR 292.A OG1 no hydrogen 2.900 N/A ILE 288.A N THR 291.A O no hydrogen 2.883 N/A THR 291.A N ILE 288.A O no hydrogen 3.449 N/A THR 291.A OG1 ILE 288.A O no hydrogen 3.115 N/A THR 291.A OG1 TYR 293.A OH no hydrogen 3.210 N/A THR 292.A OG1 THR 287.A OG1 no hydrogen 2.900 N/A TYR 293.A N ALA 286.A O no hydrogen 2.936 N/A TYR 293.A OH THR 291.A OG1 no hydrogen 3.210 N/A TYR 296.A OH GLU 300.A OE1 no hydrogen 2.610 N/A GLU 297.A N GLU 297.A OE1 no hydrogen 2.765 N/A ASP 298.A N THR 295.A OG1 no hydrogen 3.141 N/A LEU 299.A N THR 295.A O no hydrogen 3.430 N/A GLU 300.A N TYR 296.A O no hydrogen 2.950 N/A GLN 301.A N GLU 297.A O no hydrogen 2.798 N/A ALA 302.A N ASP 298.A O no hydrogen 2.991 N/A PHE 303.A N LEU 299.A O no hydrogen 2.883 N/A VAL 304.A N GLU 300.A O no hydrogen 3.030 N/A SER 305.A N GLN 301.A O no hydrogen 2.998 N/A SER 305.A OG GLN 301.A O no hydrogen 3.089 N/A SER 305.A OG GLN 301.A OE1 no hydrogen 2.908 N/A ASP 306.A N ALA 302.A O no hydrogen 2.898 N/A GLU 307.A N ALA 302.A O no hydrogen 3.140 N/A LEU 313.A N SER 309.A O no hydrogen 2.850 N/A LYS 314.A N GLU 310.A O no hydrogen 3.046 N/A LYS 314.A NZ ARG 241.A O no hydrogen 2.656 N/A LYS 314.A NZ ALA 243.A O no hydrogen 2.935 N/A LYS 314.A NZ GLU 310.A OE2 no hydrogen 2.892 N/A SER 315.A N ASP 311.A O no hydrogen 2.762 N/A SER 315.A OG ASP 311.A O no hydrogen 2.704 N/A CYS 316.A N ALA 312.A O no hydrogen 2.818 N/A CYS 316.A SG THR 287.A O no hydrogen 3.616 N/A LEU 317.A N LEU 313.A O no hydrogen 3.015 N/A ILE 318.A N LYS 314.A O no hydrogen 3.011 N/A ASP 319.A N SER 315.A O no hydrogen 3.126 N/A GLU 320.A N CYS 316.A O no hydrogen 2.892 N/A VAL 321.A N LEU 317.A O no hydrogen 2.717 N/A ASN 322.A N ILE 318.A O no hydrogen 2.949 N/A ASN 322.A ND2 GLU 233.A O no hydrogen 3.550 N/A ALA 323.A N ASP 319.A O no hydrogen 3.080 N/A LEU 324.A N GLU 320.A O no hydrogen 3.161 N/A LEU 325.A N VAL 321.A O no hydrogen 3.049 N/A GLU 326.A N ASN 322.A O no hydrogen 2.847 N/A ARG 329.A N LEU 325.A O no hydrogen 3.002 N/A ARG 329.A N GLU 326.A O no hydrogen 3.184 N/A ARG 329.A NE GLU 326.A OE1 no hydrogen 3.391 N/A ARG 329.A NH2 ASN 322.A OD1 no hydrogen 3.059 N/A ARG 329.A NH2 GLU 326.A OE1 no hydrogen 3.364 N/A GLN 330.A N GLU 326.A O no hydrogen 3.093 N/A HIS 331.A N PRO 327.A O no hydrogen 3.039 N/A PHE 332.A N VAL 328.A O no hydrogen 3.382 N/A ALA 333.A N ARG 329.A O no hydrogen 2.820 N/A SER 334.A N GLN 330.A O no hydrogen 2.674 N/A SER 334.A N HIS 331.A O no hydrogen 3.235 N/A SER 334.A OG GLN 330.A O no hydrogen 2.618 N/A SER 334.A OG HIS 331.A O no hydrogen 3.566 N/A ASN 335.A N HIS 331.A O no hydrogen 2.704 N/A ALA 338.A N ASN 335.A OD1 no hydrogen 2.802 N/A HIS 339.A N ASN 335.A O no hydrogen 2.698 N/A GLU 340.A N GLU 336.A O no hydrogen 2.661 N/A LEU 342.A N ALA 338.A O no hydrogen 3.276 N/A GLU 343.A N HIS 339.A O no hydrogen 3.029 N/A ALA 344.A N GLU 340.A O no hydrogen 2.850 N/A VAL 345.A N LEU 341.A O no hydrogen 2.685 N/A LYS 346.A N LEU 342.A O no hydrogen 2.672 N/A SER 347.A N GLU 343.A O no hydrogen 3.097 N/A SER 347.A OG GLU 343.A O no hydrogen 3.548 N/A SER 347.A OG ALA 344.A O no hydrogen 2.812 N/A TYR 348.A N ALA 344.A O no hydrogen 3.268 N/A ARG 349.A N LYS 346.A O no hydrogen 2.726 N/A ARG 349.A NH1 GLY 45.A O no hydrogen 3.552 N/A HIS 359.A N SER 498.A OG no hydrogen 2.814 N/A HIS 359.A ND1 SER 496.A O no hydrogen 3.117 N/A HIS 359.A NE2 THR 395.A OG1 no hydrogen 2.466 N/A ALA 360.A N THR 393.A O no hydrogen 2.830 N/A MET 362.A N THR 395.A O no hydrogen 2.815 N/A MET 364.A N VAL 397.A O no hydrogen 3.002 N/A LEU 367.A N PRO 365.A O no hydrogen 2.802 N/A LYS 369.A NZ GLU 652.A OE1 no hydrogen 3.436 N/A LYS 369.A NZ GLU 652.A OE2 no hydrogen 3.514 N/A LEU 372.A N LEU 543.A O no hydrogen 2.635 N/A VAL 374.A N PRO 371.A O no hydrogen 3.189 N/A ALA 375.A N PRO 371.A O no hydrogen 3.081 N/A GLU 376.A N LEU 372.A O no hydrogen 2.839 N/A GLY 377.A N ASP 373.A O no hydrogen 3.274 N/A MET 378.A N VAL 374.A O no hydrogen 3.000 N/A ILE 379.A N ALA 375.A O no hydrogen 3.051 N/A LYS 380.A N GLU 376.A O no hydrogen 2.991 N/A LYS 380.A NZ ASP 384.A OD1 no hydrogen 3.385 N/A LYS 380.A NZ ASP 384.A OD2 no hydrogen 3.329 N/A VAL 381.A N GLY 377.A O no hydrogen 3.123 N/A THR 382.A N MET 378.A O no hydrogen 3.193 N/A THR 382.A OG1 MET 378.A O no hydrogen 2.680 N/A LYS 383.A N ILE 379.A O no hydrogen 3.069 N/A ASP 384.A N LYS 380.A O no hydrogen 2.749 N/A PHE 385.A N VAL 381.A O no hydrogen 2.807 N/A ILE 386.A N THR 382.A O no hydrogen 3.024 N/A ALA 387.A N LYS 383.A O no hydrogen 3.132 N/A ALA 388.A N ASP 384.A O no hydrogen 3.065 N/A HIS 389.A N PHE 385.A O no hydrogen 2.873 N/A GLY 392.A N HIS 389.A O no hydrogen 3.086 N/A GLY 392.A N GLU 391.A OE1 no hydrogen 2.909 N/A THR 393.A N PRO 358.A O no hydrogen 3.174 N/A THR 395.A N ALA 360.A O no hydrogen 3.154 N/A THR 395.A OG1 HIS 359.A NE2 no hydrogen 2.466 N/A LEU 396.A N LYS 437.A O no hydrogen 2.854 N/A VAL 397.A N MET 362.A O no hydrogen 2.713 N/A LEU 398.A N VAL 439.A O no hydrogen 2.939 N/A ASP 400.A N LEU 398.A O no hydrogen 2.874 N/A TRP 401.A N GLU 441.A OE1 no hydrogen 3.020 N/A TRP 401.A NE1 ASN 442.A OD1 no hydrogen 3.262 N/A SER 402.A N GLU 441.A OE1 no hydrogen 2.660 N/A SER 402.A OG GLU 441.A OE1 no hydrogen 2.852 N/A SER 402.A OG GLU 441.A OE2 no hydrogen 2.532 N/A ALA 403.A N PRO 399.A O no hydrogen 3.044 N/A ALA 405.A N TRP 401.A O no hydrogen 3.039 N/A SER 406.A N SER 402.A O no hydrogen 3.053 N/A SER 406.A OG SER 402.A O no hydrogen 3.088 N/A SER 406.A OG ALA 403.A O no hydrogen 3.404 N/A SER 406.A OG GLU 408.A OE2 no hydrogen 3.176 N/A ASP 407.A N VAL 404.A O no hydrogen 3.148 N/A GLU 408.A N ALA 403.A O no hydrogen 3.191 N/A THR 410.A OG1 ASP 415.A OD2 no hydrogen 2.874 N/A GLY 411.A N GLU 408.A O no hydrogen 2.878 N/A ILE 416.A N VAL 412.A O no hydrogen 3.061 N/A SER 417.A N GLU 413.A O no hydrogen 2.957 N/A SER 417.A OG GLU 413.A OE2 no hydrogen 2.812 N/A ALA 418.A N LYS 414.A O no hydrogen 3.140 N/A ALA 419.A N ASP 415.A O no hydrogen 2.902 N/A LEU 420.A N ILE 416.A O no hydrogen 3.029 N/A GLN 421.A N SER 417.A O no hydrogen 2.947 N/A VAL 422.A N ALA 418.A O no hydrogen 3.057 N/A ASN 423.A N ALA 419.A O no hydrogen 3.278 N/A ASN 423.A ND2 LEU 368.A O no hydrogen 3.044 N/A ASN 423.A ND2 ALA 419.A O no hydrogen 3.002 N/A CYS 424.A N LEU 420.A O no hydrogen 2.896 N/A ALA 425.A N GLN 421.A O no hydrogen 2.949 N/A LEU 426.A N VAL 422.A O no hydrogen 2.905 N/A LEU 427.A N ASN 423.A O no hydrogen 2.996 N/A LYS 428.A N CYS 424.A O no hydrogen 3.105 N/A ALA 429.A N ALA 425.A O no hydrogen 3.162 N/A TYR 430.A N LEU 426.A O no hydrogen 2.788 N/A GLY 431.A N LYS 428.A O no hydrogen 3.301 N/A LEU 432.A N LEU 427.A O no hydrogen 3.081 N/A VAL 436.A N PRO 433.A O no hydrogen 3.278 N/A LYS 437.A N VAL 394.A O no hydrogen 3.184 N/A VAL 439.A N LEU 396.A O no hydrogen 3.070 N/A THR 440.A N GLU 443.A OE1 no hydrogen 3.405 N/A THR 440.A OG1 GLU 443.A OE1 no hydrogen 3.563 N/A GLU 441.A N LEU 398.A O no hydrogen 3.060 N/A ASN 442.A N ASP 400.A OD2 no hydrogen 3.005 N/A GLU 443.A N THR 440.A OG1 no hydrogen 3.360 N/A VAL 444.A N THR 440.A O no hydrogen 3.141 N/A ILE 445.A N GLU 441.A O no hydrogen 2.744 N/A LEU 446.A N ASN 442.A O no hydrogen 2.975 N/A GLY 447.A N GLU 443.A O no hydrogen 3.223 N/A ASN 448.A N ILE 445.A O no hydrogen 2.845 N/A ASP 451.A N ASP 450.A OD2 no hydrogen 2.716 N/A PHE 452.A N ASN 448.A O no hydrogen 2.844 N/A TRP 453.A N CYS 449.A O no hydrogen 3.150 N/A VAL 454.A N ASP 450.A O no hydrogen 3.263 N/A SER 455.A N ASP 451.A O no hydrogen 2.871 N/A VAL 456.A N PHE 452.A O no hydrogen 2.852 N/A ILE 457.A N TRP 453.A O no hydrogen 3.074 N/A GLY 458.A N VAL 454.A O no hydrogen 2.854 N/A ILE 459.A N SER 455.A O no hydrogen 2.946 N/A ALA 460.A N VAL 456.A O no hydrogen 3.044 N/A ARG 461.A N ILE 457.A O no hydrogen 2.676 N/A ARG 461.A NE TYR 158.A OH no hydrogen 3.001 N/A LYS 462.A N ILE 459.A O no hydrogen 3.183 N/A LYS 462.A NZ GLY 458.A O no hydrogen 3.403 N/A ASN 463.A N ALA 460.A O no hydrogen 3.312 N/A ASN 463.A ND2 ILE 459.A O no hydrogen 2.556 N/A LEU 465.A N THR 152.A O no hydrogen 2.790 N/A HIS 467.A N LEU 464.A O no hydrogen 2.997 N/A HIS 467.A NE2 GLU 515.A OE1 no hydrogen 2.907 N/A VAL 468.A N LEU 464.A O no hydrogen 3.309 N/A GLU 469.A N LEU 465.A O no hydrogen 2.958 N/A GLU 470.A N SER 466.A O no hydrogen 2.921 N/A LEU 471.A N HIS 467.A O no hydrogen 2.978 N/A TYR 472.A N VAL 468.A O no hydrogen 3.326 N/A TYR 472.A N GLU 469.A O no hydrogen 3.158 N/A TYR 472.A OH GLN 481.A O no hydrogen 2.685 N/A GLY 473.A N GLU 470.A O no hydrogen 2.593 N/A GLY 474.A N GLU 469.A O no hydrogen 2.551 N/A ARG 477.A N GLN 481.A OE1 no hydrogen 2.405 N/A ARG 477.A NH1 SER 406.A O no hydrogen 2.729 N/A ARG 477.A NH1 GLU 408.A OE2 no hydrogen 2.940 N/A ASN 478.A ND2 SER 406.A O no hydrogen 2.963 N/A ALA 479.A N ASN 139.A O no hydrogen 2.900 N/A GLN 481.A N ASN 478.A O no hydrogen 3.176 N/A GLN 481.A N ASN 478.A OD1 no hydrogen 3.048 N/A ALA 484.A N GLY 480.A O no hydrogen 2.962 N/A ALA 485.A N GLN 481.A O no hydrogen 3.099 N/A MET 487.A N ILE 483.A O no hydrogen 2.971 N/A ARG 488.A N ALA 484.A O no hydrogen 2.937 N/A ARG 488.A NH1 ASP 506.A OD1 no hydrogen 2.793 N/A ARG 488.A NH1 ASN 510.A OD1 no hydrogen 2.990 N/A ARG 488.A NH2 ASP 506.A OD1 no hydrogen 3.415 N/A VAL 489.A N ALA 485.A O no hydrogen 3.316 N/A ALA 490.A N LEU 486.A O no hydrogen 2.945 N/A THR 491.A N MET 487.A O no hydrogen 2.720 N/A THR 491.A OG1 MET 487.A O no hydrogen 2.731 N/A ALA 492.A N ARG 488.A O no hydrogen 2.939 N/A LEU 493.A N VAL 489.A O no hydrogen 3.008 N/A MET 494.A N ALA 490.A O no hydrogen 3.015 N/A LEU 495.A N THR 491.A O no hydrogen 2.781 N/A SER 496.A N LEU 493.A O no hydrogen 3.292 N/A SER 498.A N HIS 359.A O no hydrogen 2.737 N/A SER 498.A OG HIS 359.A O no hydrogen 3.086 N/A SER 498.A OG HIS 499.A ND1 no hydrogen 2.694 N/A HIS 499.A N HIS 359.A O no hydrogen 3.100 N/A HIS 499.A ND1 SER 498.A OG no hydrogen 2.694 N/A VAL 500.A N ASP 522.A O no hydrogen 3.126 N/A ILE 501.A N CYS 361.A O no hydrogen 2.655 N/A SER 502.A N VAL 524.A O no hydrogen 2.979 N/A THR 503.A N ASP 506.A OD2 no hydrogen 3.104 N/A THR 503.A OG1 ASP 506.A OD2 no hydrogen 3.325 N/A SER 504.A N GLU 528.A OE2 no hydrogen 2.805 N/A SER 504.A OG GLU 528.A OE1 no hydrogen 2.713 N/A SER 504.A OG GLU 528.A OE2 no hydrogen 3.436 N/A LEU 505.A N THR 503.A OG1 no hydrogen 3.197 N/A GLY 507.A N SER 504.A O no hydrogen 3.419 N/A ASN 510.A ND2 SER 502.A OG no hydrogen 3.171 N/A ALA 511.A N HIS 508.A O no hydrogen 2.887 N/A PHE 512.A N ILE 509.A O no hydrogen 3.090 N/A ALA 513.A N ASN 510.A O no hydrogen 3.061 N/A ARG 514.A NH1 ILE 521.A O no hydrogen 3.564 N/A GLU 515.A N ALA 511.A O no hydrogen 2.819 N/A TYR 516.A N PHE 512.A O no hydrogen 2.756 N/A THR 517.A N ALA 513.A O no hydrogen 3.276 N/A THR 517.A OG1 ALA 513.A O no hydrogen 2.860 N/A THR 517.A OG1 ARG 514.A O no hydrogen 3.424 N/A LYS 518.A N GLU 515.A O no hydrogen 2.911 N/A GLU 519.A N ARG 514.A O no hydrogen 2.870 N/A ARG 520.A N THR 517.A O no hydrogen 3.093 N/A ASP 522.A N SER 498.A O no hydrogen 3.074 N/A VAL 524.A N VAL 500.A O no hydrogen 3.015 N/A GLN 525.A NE2 THR 503.A O no hydrogen 3.603 N/A THR 526.A N SER 502.A O no hydrogen 3.001 N/A GLY 529.A N ASP 373.A OD2 no hydrogen 2.491 N/A ARG 530.A N ASP 373.A OD1 no hydrogen 3.275 N/A ILE 531.A N ASP 373.A OD1 no hydrogen 3.318 N/A LEU 534.A N ASP 541.A O no hydrogen 2.864 N/A TYR 544.A N ASP 547.A OD2 no hydrogen 3.049 N/A TYR 544.A OH ALA 539.A O no hydrogen 3.070 N/A LEU 545.A N VAL 370.A O no hydrogen 2.982 N/A ASP 547.A N TYR 544.A O no hydrogen 3.261 N/A ASN 548.A N ASP 551.A OD2 no hydrogen 3.140 N/A ASP 551.A N ASN 548.A OD1 no hydrogen 2.411 N/A ILE 552.A N ASN 548.A O no hydrogen 3.208 N/A ARG 553.A N ASP 549.A O no hydrogen 3.389 N/A ARG 553.A NE ASP 549.A OD2 no hydrogen 3.042 N/A ARG 554.A NH1 ASP 540.A OD2 no hydrogen 2.354 N/A LYS 555.A N ASP 551.A O no hydrogen 2.980 N/A LYS 555.A NZ VAL 542.A O no hydrogen 2.566 N/A LYS 555.A NZ ASP 547.A OD1 no hydrogen 2.603 N/A LYS 555.A NZ ASP 547.A OD2 no hydrogen 2.876 N/A ILE 556.A N ILE 552.A O no hydrogen 2.711 N/A LYS 557.A N ARG 553.A O no hydrogen 2.826 N/A LYS 558.A N ARG 554.A O no hydrogen 2.923 N/A ALA 559.A N LYS 555.A O no hydrogen 2.800 N/A TYR 560.A N LEU 534.A O no hydrogen 2.753 N/A ALA 562.A N GLU 565.A OE1 no hydrogen 3.260 N/A ASN 564.A ND2 GLY 609.A O no hydrogen 3.174 N/A ASN 568.A ND2 GLU 565.A OE1 no hydrogen 3.024 N/A ILE 571.A N ASN 568.A OD1 no hydrogen 2.674 N/A SER 572.A N ASN 568.A O no hydrogen 3.047 N/A SER 572.A OG ASN 568.A O no hydrogen 3.558 N/A VAL 573.A N PRO 569.A O no hydrogen 2.830 N/A ALA 574.A N VAL 570.A O no hydrogen 3.136 N/A GLN 575.A N ILE 571.A O no hydrogen 2.589 N/A HIS 576.A N SER 572.A O no hydrogen 2.829 N/A HIS 576.A NE2 GLU 376.A OE1 no hydrogen 2.632 N/A LEU 577.A N VAL 573.A O no hydrogen 2.830 N/A LEU 578.A N ALA 574.A O no hydrogen 2.989 N/A ALA 579.A N HIS 576.A O no hydrogen 2.909 N/A GLN 580.A N HIS 576.A O no hydrogen 3.482 N/A HIS 581.A N LEU 577.A O no hydrogen 3.133 N/A GLY 582.A N LEU 578.A O no hydrogen 3.094 N/A ILE 586.A N VAL 596.A O no hydrogen 3.430 N/A ARG 588.A N ASN 595.A OD1 no hydrogen 3.334 N/A ASN 592.A N GLY 589.A O no hydrogen 2.632 N/A VAL 596.A N ILE 586.A O no hydrogen 3.355 N/A TYR 598.A N LEU 584.A O no hydrogen 2.794 N/A TYR 598.A OH ASP 607.A OD2 no hydrogen 2.761 N/A VAL 605.A N PRO 601.A O no hydrogen 3.061 N/A ALA 606.A N GLU 602.A O no hydrogen 2.739 N/A ASP 607.A N ALA 603.A O no hydrogen 2.918 N/A CYS 608.A N LEU 604.A O no hydrogen 2.902 N/A CYS 608.A SG LEU 604.A O no hydrogen 2.964 N/A GLY 609.A N VAL 605.A O no hydrogen 3.022 N/A ASP 617.A N HIS 614.A O no hydrogen 3.252 N/A LEU 618.A N HIS 614.A O no hydrogen 3.220 N/A LYS 619.A N PRO 615.A O no hydrogen 2.851 N/A LYS 619.A NZ LYS 557.A O no hydrogen 3.037 N/A LYS 619.A NZ ALA 559.A O no hydrogen 2.828 N/A ALA 620.A N ALA 616.A O no hydrogen 3.053 N/A ALA 621.A N ASP 617.A O no hydrogen 3.200 N/A VAL 622.A N LEU 618.A O no hydrogen 2.849 N/A LEU 623.A N LYS 619.A O no hydrogen 2.719 N/A GLN 624.A N ALA 620.A O no hydrogen 3.241 N/A GLN 624.A NE2 GLN 624.A O no hydrogen 3.519 N/A LEU 625.A N ALA 621.A O no hydrogen 3.246 N/A LEU 626.A N VAL 622.A O no hydrogen 2.967 N/A LEU 627.A N LEU 623.A O no hydrogen 3.148 N/A ASP 628.A N GLN 624.A O no hydrogen 2.936 N/A ARG 629.A N LEU 625.A O no hydrogen 2.946 N/A SER 630.A N LEU 627.A O no hydrogen 3.066 N/A SER 630.A OG LEU 626.A O no hydrogen 2.730 N/A SER 630.A OG LEU 627.A O no hydrogen 3.098 N/A ARG 634.A N SER 630.A O no hydrogen 2.941 N/A ARG 634.A NE SER 630.A OG no hydrogen 2.770 N/A ARG 634.A NH2 LEU 627.A O no hydrogen 3.138 N/A ALA 635.A N ALA 631.A O no hydrogen 2.989 N/A LEU 636.A N GLN 632.A O no hydrogen 3.347 N/A LEU 636.A N ALA 633.A O no hydrogen 3.192 N/A LEU 637.A N ALA 633.A O no hydrogen 3.366 N/A GLY 639.A N ALA 635.A O no hydrogen 2.971 N/A LEU 641.A N LEU 636.A O no hydrogen 2.849 N/A LYS 642.A N GLY 639.A O no hydrogen 3.181 N/A MET 645.A N LEU 641.A O no hydrogen 2.890 N/A THR 646.A N LYS 643.A O no hydrogen 3.007 N/A THR 646.A OG1 LYS 642.A O no hydrogen 3.359 N/A THR 646.A OG1 LYS 643.A O no hydrogen 3.008 N/A LEU 648.A N MET 645.A O no hydrogen 2.981 N/A ARG 649.A N MET 645.A O no hydrogen 3.279 N/A ASN 650.A N THR 646.A O no hydrogen 3.068 N/A ALA 651.A N VAL 647.A O no hydrogen 2.852 N/A GLU 652.A N LEU 648.A O no hydrogen 2.908 N/A LYS 653.A N ARG 649.A O no hydrogen 2.895 N/A LYS 654.A N ASN 650.A O no hydrogen 3.162 N/A LYS 654.A NZ ASP 415.A OD2 no hydrogen 2.963 N/A MET 655.A N ALA 651.A O no hydrogen 3.063 N/A ALA 656.A N GLU 652.A O no hydrogen 3.159 N/A ALA 656.A N LYS 653.A O no hydrogen 3.199 N/A LYS 657.A N LYS 654.A O no hydrogen 2.907 N/A LYS 657.A NZ MET 655.A O no hydrogen 3.417 N/A