Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2i30_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A NE2 GLU 55.A OE2 no hydrogen 2.685 N/A SER 3.A OG CYS 60.A O no hydrogen 3.399 N/A HIS 7.A N SER 3.A O no hydrogen 3.445 N/A ARG 8.A N GLU 4.A O no hydrogen 2.860 N/A ARG 8.A NH1 ASP 253.A OD1 no hydrogen 2.904 N/A ARG 8.A NH2 ASP 253.A OD1 no hydrogen 2.892 N/A ARG 8.A NH2 ASP 253.A OD2 no hydrogen 2.797 N/A PHE 9.A N VAL 5.A O no hydrogen 2.779 N/A LYS 10.A N ALA 6.A O no hydrogen 2.920 N/A ASP 11.A N HIS 7.A O no hydrogen 3.139 N/A LEU 12.A N PHE 9.A O no hydrogen 3.288 N/A GLY 13.A N PHE 9.A O no hydrogen 2.710 N/A ASN 16.A ND2 LEU 12.A O no hydrogen 3.237 N/A PHE 17.A N GLY 13.A O no hydrogen 2.883 N/A LYS 18.A N GLU 14.A O no hydrogen 3.087 N/A ALA 19.A N GLU 15.A O no hydrogen 3.398 N/A LEU 20.A N ASN 16.A O no hydrogen 2.763 N/A VAL 21.A N PHE 17.A O no hydrogen 3.127 N/A LEU 22.A N LYS 18.A O no hydrogen 3.106 N/A ILE 23.A N ALA 19.A O no hydrogen 2.985 N/A ALA 24.A N LEU 20.A O no hydrogen 2.887 N/A PHE 25.A N VAL 21.A O no hydrogen 3.000 N/A ALA 26.A N LEU 22.A O no hydrogen 2.828 N/A GLN 27.A N ILE 23.A O no hydrogen 2.852 N/A GLN 27.A NE2 HIS 144.A O no hydrogen 3.432 N/A GLN 27.A NE2 PHE 147.A O no hydrogen 2.942 N/A LEU 29.A N PHE 25.A O no hydrogen 3.121 N/A GLN 30.A N TYR 28.A O no hydrogen 2.719 N/A GLN 30.A NE2 GLN 27.A O no hydrogen 3.078 N/A GLN 30.A NE2 ASP 105.A O no hydrogen 3.263 N/A CYS 32.A SG TYR 82.A OH no hydrogen 2.843 N/A HIS 37.A N PHE 34.A O no hydrogen 3.192 N/A HIS 37.A NE2 LEU 29.A O no hydrogen 3.013 N/A VAL 38.A N PHE 34.A O no hydrogen 3.197 N/A LYS 39.A N GLU 35.A O no hydrogen 2.953 N/A LEU 40.A N ASP 36.A O no hydrogen 3.425 N/A VAL 41.A N HIS 37.A O no hydrogen 2.865 N/A ASN 42.A N VAL 38.A O no hydrogen 3.079 N/A GLU 43.A N LYS 39.A O no hydrogen 2.973 N/A VAL 44.A N LEU 40.A O no hydrogen 2.749 N/A THR 45.A N VAL 41.A O no hydrogen 2.739 N/A THR 45.A OG1 VAL 41.A O no hydrogen 3.177 N/A GLU 46.A N ASN 42.A O no hydrogen 2.793 N/A PHE 47.A N GLU 43.A O no hydrogen 3.354 N/A ALA 48.A N VAL 44.A O no hydrogen 2.856 N/A LYS 49.A N THR 45.A O no hydrogen 2.785 N/A LYS 49.A NZ GLU 14.A OE2 no hydrogen 2.572 N/A THR 50.A N GLU 46.A O no hydrogen 3.207 N/A THR 50.A N PHE 47.A O no hydrogen 2.674 N/A THR 50.A OG1 GLU 46.A O no hydrogen 3.260 N/A CYS 51.A N PHE 47.A O no hydrogen 3.344 N/A CYS 51.A N ALA 48.A O no hydrogen 3.207 N/A CYS 51.A SG PHE 47.A O no hydrogen 3.870 N/A VAL 52.A N ALA 48.A O no hydrogen 3.145 N/A ALA 53.A N LYS 49.A O no hydrogen 3.150 N/A ASP 54.A N THR 50.A O no hydrogen 3.031 N/A SER 56.A N ASP 54.A OD1 no hydrogen 3.207 N/A ALA 57.A N ASP 54.A O no hydrogen 2.739 N/A CYS 60.A N ALA 57.A O no hydrogen 3.118 N/A CYS 60.A SG ASP 54.A O no hydrogen 4.047 N/A CYS 60.A SG ALA 57.A O no hydrogen 3.249 N/A CYS 60.A SG GLU 58.A O no hydrogen 3.557 N/A LYS 62.A N ASN 59.A O no hydrogen 2.581 N/A SER 63.A OG THR 66.A OG1 no hydrogen 2.722 N/A HIS 65.A NE2 ASP 247.A OD2 no hydrogen 2.586 N/A THR 66.A N SER 63.A OG no hydrogen 3.219 N/A THR 66.A OG1 SER 63.A OG no hydrogen 2.722 N/A LEU 67.A N SER 63.A O no hydrogen 3.064 N/A PHE 68.A N LEU 64.A O no hydrogen 3.061 N/A GLY 69.A N HIS 65.A O no hydrogen 2.971 N/A ASP 70.A N THR 66.A O no hydrogen 2.881 N/A LYS 71.A N LEU 67.A O no hydrogen 3.067 N/A LEU 72.A N PHE 68.A O no hydrogen 3.056 N/A CYS 73.A N GLY 69.A O no hydrogen 2.940 N/A CYS 73.A SG GLY 69.A O no hydrogen 3.703 N/A THR 74.A N LYS 71.A O no hydrogen 3.003 N/A THR 74.A OG1 ASP 70.A O no hydrogen 3.404 N/A THR 77.A OG1 THR 81.A OG1 no hydrogen 3.358 N/A THR 81.A N THR 77.A O no hydrogen 2.606 N/A THR 81.A OG1 THR 77.A O no hydrogen 3.118 N/A TYR 82.A N LEU 78.A O no hydrogen 2.668 N/A MET 85.A N TYR 82.A O no hydrogen 3.390 N/A ALA 86.A N GLY 83.A O no hydrogen 2.952 N/A ASP 87.A N GLU 84.A O no hydrogen 2.758 N/A CYS 88.A N MET 85.A O no hydrogen 3.070 N/A CYS 89.A N ALA 86.A O no hydrogen 3.375 N/A ALA 90.A N ASP 87.A O no hydrogen 3.145 N/A LYS 91.A N CYS 88.A O no hydrogen 3.072 N/A GLU 95.A N GLU 95.A OE1 no hydrogen 3.124 N/A ARG 96.A N GLN 92.A O no hydrogen 2.879 N/A ARG 96.A NE GLU 93.A OE1 no hydrogen 2.732 N/A ARG 96.A NH1 ASP 70.A OD1 no hydrogen 2.834 N/A ARG 96.A NH2 THR 66.A O no hydrogen 2.964 N/A ARG 96.A NH2 ASP 70.A OD1 no hydrogen 3.488 N/A ARG 96.A NH2 GLU 93.A OE1 no hydrogen 3.068 N/A ASN 97.A N GLU 93.A OE2 no hydrogen 2.883 N/A ASN 97.A ND2 ASP 247.A OD2 no hydrogen 3.239 N/A GLU 98.A N PRO 94.A O no hydrogen 3.202 N/A CYS 99.A N GLU 95.A O no hydrogen 2.788 N/A CYS 99.A SG HIS 103.A NE2 no hydrogen 3.969 N/A PHE 100.A N ARG 96.A O no hydrogen 3.069 N/A PHE 100.A N ASN 97.A O no hydrogen 2.765 N/A LEU 101.A N ASN 97.A O no hydrogen 3.121 N/A GLN 102.A N GLU 98.A O no hydrogen 3.300 N/A HIS 103.A N PHE 100.A O no hydrogen 3.143 N/A LYS 104.A NZ PRO 145.A O no hydrogen 3.475 N/A ASP 105.A N HIS 103.A O no hydrogen 2.647 N/A ARG 112.A NH2 LEU 113.A O no hydrogen 3.461 N/A MET 121.A N GLU 117.A O no hydrogen 3.018 N/A CYS 122.A N VAL 118.A O no hydrogen 2.936 N/A THR 123.A N ASP 119.A O no hydrogen 3.106 N/A THR 123.A OG1 ASP 119.A O no hydrogen 3.027 N/A ALA 124.A N VAL 120.A O no hydrogen 2.754 N/A PHE 125.A N MET 121.A O no hydrogen 2.669 N/A HIS 126.A N CYS 122.A O no hydrogen 2.872 N/A ASP 127.A N THR 123.A O no hydrogen 2.826 N/A ASN 128.A N ALA 124.A O no hydrogen 3.272 N/A THR 131.A OG1 ASN 128.A OD1 no hydrogen 3.355 N/A PHE 132.A N ASN 128.A O no hydrogen 3.069 N/A LEU 133.A N GLU 129.A O no hydrogen 3.316 N/A LYS 134.A N GLU 130.A O no hydrogen 3.026 N/A LYS 134.A NZ GLU 130.A OE1 no hydrogen 2.740 N/A LYS 135.A N THR 131.A O no hydrogen 2.986 N/A TYR 136.A N LEU 133.A O no hydrogen 3.068 N/A LEU 137.A N LEU 133.A O no hydrogen 2.838 N/A TYR 138.A N LYS 134.A O no hydrogen 3.156 N/A TYR 138.A OH CYS 32.A O no hydrogen 2.634 N/A GLU 139.A N LYS 135.A O no hydrogen 3.331 N/A ILE 140.A N TYR 136.A O no hydrogen 2.910 N/A ALA 141.A N LEU 137.A O no hydrogen 2.990 N/A ARG 142.A N TYR 138.A O no hydrogen 3.160 N/A ARG 142.A NE GLN 30.A O no hydrogen 3.045 N/A ARG 142.A NH1 GLU 139.A OE1 no hydrogen 3.528 N/A ARG 142.A NH2 GLN 30.A O no hydrogen 3.223 N/A ARG 143.A N ILE 140.A O no hydrogen 2.877 N/A ARG 143.A NE PRO 111.A O no hydrogen 3.221 N/A ARG 143.A NH1 GLU 139.A O no hydrogen 3.049 N/A ARG 143.A NH2 PRO 111.A O no hydrogen 2.706 N/A HIS 144.A N ILE 140.A O no hydrogen 3.101 N/A HIS 144.A N ALA 141.A O no hydrogen 3.409 N/A HIS 144.A ND1 ILE 140.A O no hydrogen 3.271 N/A PHE 147.A N HIS 144.A O no hydrogen 3.173 N/A LEU 152.A N TYR 148.A O no hydrogen 3.120 N/A LEU 153.A N ALA 149.A O no hydrogen 2.774 N/A PHE 154.A N PRO 150.A O no hydrogen 2.987 N/A PHE 155.A N GLU 151.A O no hydrogen 3.033 N/A ALA 156.A N LEU 153.A O no hydrogen 2.741 N/A LYS 157.A N LEU 153.A O no hydrogen 3.189 N/A LYS 157.A NZ ASN 16.A OD1 no hydrogen 3.009 N/A ARG 158.A N PHE 154.A O no hydrogen 3.390 N/A ARG 158.A NH1 GLU 186.A OE2 no hydrogen 2.353 N/A ARG 158.A NH2 GLU 186.A OE1 no hydrogen 2.964 N/A ARG 158.A NH2 GLU 186.A OE2 no hydrogen 2.533 N/A TYR 159.A N PHE 155.A O no hydrogen 3.189 N/A LYS 160.A N ALA 156.A O no hydrogen 2.880 N/A ALA 161.A N LYS 157.A O no hydrogen 3.134 N/A ALA 162.A N ARG 158.A O no hydrogen 3.304 N/A ALA 162.A N TYR 159.A O no hydrogen 3.200 N/A PHE 163.A N LYS 160.A O no hydrogen 2.859 N/A THR 164.A N LYS 160.A O no hydrogen 3.088 N/A GLU 165.A N ALA 161.A O no hydrogen 3.202 N/A CYS 166.A N ALA 162.A O no hydrogen 2.880 N/A CYS 167.A N PHE 163.A O no hydrogen 2.684 N/A ALA 169.A N CYS 166.A O no hydrogen 3.087 N/A LYS 172.A NZ ALA 169.A O no hydrogen 3.382 N/A CYS 175.A N LYS 172.A O no hydrogen 2.747 N/A LEU 176.A N LYS 172.A O no hydrogen 2.717 N/A LYS 179.A NZ GLU 165.A OE2 no hydrogen 2.431 N/A LEU 180.A N LEU 176.A O no hydrogen 2.819 N/A ASP 181.A N LEU 177.A O no hydrogen 2.799 N/A GLU 182.A N PRO 178.A O no hydrogen 3.233 N/A LEU 183.A N LYS 179.A O no hydrogen 3.103 N/A ARG 184.A N LEU 180.A O no hydrogen 2.667 N/A ARG 184.A NH2 ASP 185.A OD1 no hydrogen 3.116 N/A ASP 185.A N ASP 181.A O no hydrogen 2.973 N/A GLU 186.A N GLU 182.A O no hydrogen 3.060 N/A GLY 187.A N LEU 183.A O no hydrogen 3.076 N/A LYS 188.A N ARG 184.A O no hydrogen 2.840 N/A ALA 189.A N ASP 185.A O no hydrogen 2.609 N/A SER 190.A N GLU 186.A O no hydrogen 2.815 N/A SER 190.A OG GLU 151.A OE1 no hydrogen 3.391 N/A SER 191.A N GLY 187.A O no hydrogen 2.996 N/A ALA 192.A N LYS 188.A O no hydrogen 2.975 N/A LYS 193.A N ALA 189.A O no hydrogen 2.970 N/A LYS 193.A NZ ASP 449.A OD1 no hydrogen 2.990 N/A LYS 193.A NZ ASP 449.A OD2 no hydrogen 2.964 N/A GLN 194.A N SER 190.A O no hydrogen 3.279 N/A GLN 194.A N SER 191.A O no hydrogen 3.020 N/A ARG 195.A N SER 191.A O no hydrogen 3.289 N/A ARG 195.A NH1 SER 191.A OG no hydrogen 2.866 N/A LEU 196.A N ALA 192.A O no hydrogen 3.060 N/A LYS 197.A N LYS 193.A O no hydrogen 3.286 N/A CYS 198.A SG GLN 194.A O no hydrogen 3.439 N/A ALA 199.A N ARG 195.A O no hydrogen 2.798 N/A SER 200.A N LEU 196.A O no hydrogen 2.878 N/A SER 200.A OG LEU 196.A O no hydrogen 2.832 N/A LEU 201.A N LYS 197.A O no hydrogen 3.231 N/A GLN 202.A N ALA 199.A O no hydrogen 3.227 N/A LYS 203.A N ALA 199.A O no hydrogen 2.895 N/A PHE 204.A N SER 200.A O no hydrogen 2.926 N/A ARG 207.A NE ASP 322.A OD1 no hydrogen 3.122 N/A ARG 207.A NH2 ASP 322.A OD1 no hydrogen 2.879 N/A ARG 207.A NH2 GLU 352.A OE2 no hydrogen 2.968 N/A PHE 209.A N GLY 205.A O no hydrogen 3.223 N/A LYS 210.A N GLU 206.A O no hydrogen 2.823 N/A ALA 211.A N ARG 207.A O no hydrogen 2.980 N/A TRP 212.A N ALA 208.A O no hydrogen 3.066 N/A ALA 213.A N PHE 209.A O no hydrogen 2.808 N/A VAL 214.A N LYS 210.A O no hydrogen 2.722 N/A ALA 215.A N ALA 211.A O no hydrogen 3.104 N/A ARG 216.A N TRP 212.A O no hydrogen 3.148 N/A LEU 217.A N ALA 213.A O no hydrogen 2.850 N/A SER 218.A N VAL 214.A O no hydrogen 2.984 N/A SER 218.A OG VAL 214.A O no hydrogen 2.480 N/A SER 218.A OG ALA 215.A O no hydrogen 2.949 N/A GLN 219.A N ALA 215.A O no hydrogen 2.944 N/A GLN 219.A NE2 HIS 336.A O no hydrogen 2.669 N/A GLN 219.A NE2 TYR 339.A O no hydrogen 2.872 N/A ARG 220.A N LEU 217.A O no hydrogen 2.982 N/A ARG 220.A NH1 ASN 293.A OD1 no hydrogen 3.070 N/A PHE 221.A N LEU 217.A O no hydrogen 2.795 N/A ALA 224.A N PHE 221.A O no hydrogen 2.758 N/A GLU 228.A N GLU 225.A O no hydrogen 2.639 N/A VAL 229.A N GLU 225.A O no hydrogen 3.375 N/A SER 230.A N PHE 226.A O no hydrogen 2.889 N/A SER 230.A OG PHE 226.A O no hydrogen 2.884 N/A LYS 231.A N ALA 227.A O no hydrogen 3.084 N/A LEU 232.A N GLU 228.A O no hydrogen 2.882 N/A VAL 233.A N VAL 229.A O no hydrogen 3.081 N/A THR 234.A N SER 230.A O no hydrogen 3.022 N/A THR 234.A N LYS 231.A O no hydrogen 3.040 N/A THR 234.A OG1 SER 230.A O no hydrogen 3.024 N/A ASP 235.A N LYS 231.A O no hydrogen 3.190 N/A LEU 236.A N LEU 232.A O no hydrogen 2.728 N/A THR 237.A N VAL 233.A O no hydrogen 3.246 N/A THR 237.A OG1 VAL 233.A O no hydrogen 2.839 N/A LYS 238.A N THR 234.A O no hydrogen 2.966 N/A VAL 239.A N ASP 235.A O no hydrogen 2.853 N/A HIS 240.A N LEU 236.A O no hydrogen 3.210 N/A THR 241.A N THR 237.A O no hydrogen 3.012 N/A THR 241.A OG1 THR 237.A O no hydrogen 3.208 N/A GLU 242.A N LYS 238.A O no hydrogen 3.212 N/A CYS 243.A N VAL 239.A O no hydrogen 2.754 N/A CYS 243.A SG VAL 239.A O no hydrogen 3.396 N/A CYS 244.A N HIS 240.A O no hydrogen 2.932 N/A CYS 244.A SG HIS 240.A O no hydrogen 2.803 N/A HIS 245.A N THR 241.A O no hydrogen 3.086 N/A HIS 245.A NE2 GLU 98.A OE2 no hydrogen 3.029 N/A GLU 250.A N ASP 247.A OD1 no hydrogen 2.748 N/A CYS 251.A N ASP 247.A O no hydrogen 3.189 N/A ALA 252.A N LEU 248.A O no hydrogen 2.782 N/A ASP 253.A N LEU 249.A O no hydrogen 2.864 N/A ASP 254.A N GLU 250.A O no hydrogen 2.827 N/A ARG 255.A N CYS 251.A O no hydrogen 2.892 N/A ALA 256.A N ALA 252.A O no hydrogen 2.799 N/A ASP 257.A N ASP 253.A O no hydrogen 3.044 N/A LEU 258.A N ASP 254.A O no hydrogen 3.063 N/A ALA 259.A N ARG 255.A O no hydrogen 3.277 N/A ALA 259.A N ALA 256.A O no hydrogen 2.864 N/A LYS 260.A N ALA 256.A O no hydrogen 3.130 N/A LYS 260.A N ASP 257.A O no hydrogen 2.532 N/A TYR 261.A N ASP 257.A O no hydrogen 2.995 N/A TYR 261.A OH GLU 228.A OE1 no hydrogen 3.299 N/A TYR 261.A OH GLU 228.A OE2 no hydrogen 3.325 N/A ILE 262.A N LEU 258.A O no hydrogen 3.298 N/A CYS 263.A N ALA 259.A O no hydrogen 3.059 N/A CYS 263.A SG ALA 259.A O no hydrogen 3.271 N/A GLU 264.A N LYS 260.A O no hydrogen 2.759 N/A ASN 265.A N TYR 261.A O no hydrogen 2.895 N/A GLN 266.A NE2 CYS 263.A O no hydrogen 3.589 N/A SER 268.A N ASN 265.A O no hydrogen 3.284 N/A SER 268.A OG ASN 265.A O no hydrogen 3.166 N/A ILE 269.A N GLN 266.A O no hydrogen 3.153 N/A SER 270.A N GLN 266.A O no hydrogen 3.253 N/A SER 271.A N ASP 294.A OD2 no hydrogen 2.989 N/A SER 271.A OG ASP 294.A OD1 no hydrogen 3.032 N/A LYS 272.A N SER 270.A OG no hydrogen 3.198 N/A LYS 272.A NZ GLU 295.A OE2 no hydrogen 3.324 N/A CYS 277.A N LEU 273.A O no hydrogen 3.133 N/A CYS 277.A SG LEU 273.A O no hydrogen 3.292 N/A GLU 278.A N GLU 275.A O no hydrogen 2.610 N/A LYS 279.A N CYS 276.A O no hydrogen 2.976 N/A GLU 283.A N PRO 280.A O no hydrogen 2.955 N/A LYS 284.A N PRO 280.A O no hydrogen 3.319 N/A CYS 287.A N GLU 283.A O no hydrogen 2.698 N/A ILE 288.A N LYS 284.A O no hydrogen 2.652 N/A ALA 289.A N SER 285.A O no hydrogen 2.865 N/A GLU 290.A N CYS 287.A O no hydrogen 2.676 N/A VAL 291.A N ILE 288.A O no hydrogen 3.308 N/A GLU 292.A N GLU 292.A OE1 no hydrogen 2.356 N/A ASP 294.A N ARG 220.A O no hydrogen 3.020 N/A GLU 295.A N ASP 294.A OD1 no hydrogen 2.592 N/A ALA 304.A N SER 302.A OG no hydrogen 3.408 N/A ALA 305.A N SER 302.A O no hydrogen 3.070 N/A PHE 307.A N LEU 303.A O no hydrogen 3.152 N/A VAL 308.A N ALA 304.A O no hydrogen 2.916 N/A GLU 309.A N ALA 304.A O no hydrogen 2.883 N/A GLU 309.A N ALA 305.A O no hydrogen 3.271 N/A LYS 311.A NZ ASP 363.A OD1 no hydrogen 3.439 N/A VAL 313.A N SER 310.A O no hydrogen 3.318 N/A ASN 316.A N ASP 312.A O no hydrogen 2.817 N/A TYR 317.A N VAL 313.A O no hydrogen 2.702 N/A TYR 317.A OH GLU 356.A OE2 no hydrogen 2.651 N/A ALA 318.A N CYS 314.A O no hydrogen 2.991 N/A GLU 319.A N LYS 315.A O no hydrogen 3.295 N/A GLU 319.A N ASN 316.A O no hydrogen 3.180 N/A PHE 324.A N ALA 320.A O no hydrogen 3.250 N/A LEU 325.A N LYS 321.A O no hydrogen 3.036 N/A GLY 326.A N ASP 322.A O no hydrogen 2.664 N/A MET 327.A N VAL 323.A O no hydrogen 2.695 N/A PHE 328.A N PHE 324.A O no hydrogen 2.967 N/A LEU 329.A N LEU 325.A O no hydrogen 3.301 N/A TYR 330.A N GLY 326.A O no hydrogen 2.905 N/A TYR 330.A OH ALA 224.A O no hydrogen 2.664 N/A GLU 331.A N MET 327.A O no hydrogen 2.832 N/A TYR 332.A N PHE 328.A O no hydrogen 2.791 N/A ALA 333.A N LEU 329.A O no hydrogen 2.402 N/A ARG 334.A N TYR 330.A O no hydrogen 3.011 N/A ARG 334.A NE GLU 331.A OE1 no hydrogen 3.087 N/A ARG 334.A NH1 PRO 222.A O no hydrogen 2.479 N/A ARG 335.A NE GLU 331.A O no hydrogen 3.223 N/A ARG 335.A NH1 PRO 301.A O no hydrogen 3.134 N/A ARG 335.A NH2 GLU 331.A OE1 no hydrogen 3.018 N/A HIS 336.A N ALA 333.A O no hydrogen 3.048 N/A TYR 339.A N HIS 336.A O no hydrogen 3.293 N/A VAL 341.A N GLU 448.A OE1 no hydrogen 3.244 N/A VAL 342.A N GLU 448.A OE2 no hydrogen 2.931 N/A LEU 344.A N SER 340.A O no hydrogen 3.127 N/A LEU 345.A N VAL 341.A O no hydrogen 3.024 N/A ARG 346.A N VAL 342.A O no hydrogen 2.769 N/A LEU 347.A N LEU 343.A O no hydrogen 2.978 N/A LEU 347.A N LEU 344.A O no hydrogen 3.096 N/A ALA 348.A N LEU 344.A O no hydrogen 3.008 N/A LYS 349.A N LEU 345.A O no hydrogen 2.811 N/A LYS 349.A NZ GLU 352.A OE1 no hydrogen 3.254 N/A THR 350.A OG1 ARG 346.A O no hydrogen 3.230 N/A TYR 351.A N LEU 347.A O no hydrogen 2.776 N/A TYR 351.A OH PHE 307.A O no hydrogen 3.118 N/A GLU 352.A N ALA 348.A O no hydrogen 2.858 N/A THR 353.A N LYS 349.A O no hydrogen 2.763 N/A THR 353.A OG1 LYS 349.A O no hydrogen 3.353 N/A THR 354.A N THR 350.A O no hydrogen 3.014 N/A THR 354.A OG1 THR 350.A O no hydrogen 3.149 N/A THR 354.A OG1 GLU 374.A OE2 no hydrogen 3.496 N/A LEU 355.A N TYR 351.A O no hydrogen 2.957 N/A GLU 356.A N GLU 352.A O no hydrogen 3.054 N/A GLU 356.A N THR 353.A O no hydrogen 3.127 N/A LYS 357.A N THR 353.A O no hydrogen 3.017 N/A CYS 358.A SG LYS 357.A O no hydrogen 3.390 N/A CYS 359.A N LEU 355.A O no hydrogen 3.234 N/A CYS 359.A SG LEU 355.A O no hydrogen 3.218 N/A ALA 361.A N CYS 358.A O no hydrogen 2.741 N/A HIS 365.A ND1 HIS 365.A O no hydrogen 2.527 N/A GLU 366.A N ASP 363.A O no hydrogen 3.340 N/A CYS 367.A N PRO 364.A O no hydrogen 2.680 N/A CYS 367.A SG LYS 357.A O no hydrogen 3.593 N/A TYR 368.A N PRO 364.A O no hydrogen 3.085 N/A TYR 368.A OH GLU 309.A O no hydrogen 3.336 N/A LYS 370.A NZ ASP 373.A OD2 no hydrogen 2.837 N/A GLU 374.A N VAL 371.A O no hydrogen 2.394 N/A VAL 379.A N PHE 375.A O no hydrogen 3.068 N/A GLU 380.A N LYS 376.A O no hydrogen 2.801 N/A GLU 381.A N PRO 377.A O no hydrogen 3.022 N/A ASN 384.A N GLU 380.A O no hydrogen 2.790 N/A LEU 385.A N GLU 381.A O no hydrogen 3.121 N/A ILE 386.A N PRO 382.A O no hydrogen 3.059 N/A LYS 387.A N GLN 383.A O no hydrogen 3.076 N/A GLN 388.A N ASN 384.A O no hydrogen 2.683 N/A ASN 389.A N LEU 385.A O no hydrogen 2.713 N/A ASN 389.A ND2 LEU 385.A O no hydrogen 3.154 N/A CYS 390.A N ILE 386.A O no hydrogen 2.800 N/A GLU 391.A N LYS 387.A O no hydrogen 2.704 N/A PHE 393.A N ASN 389.A O no hydrogen 2.920 N/A GLU 394.A N CYS 390.A O no hydrogen 3.164 N/A GLU 394.A N GLU 391.A O no hydrogen 2.939 N/A GLN 395.A N GLU 391.A O no hydrogen 3.283 N/A LEU 396.A N LEU 392.A O no hydrogen 3.048 N/A PHE 401.A N GLY 397.A O no hydrogen 2.897 N/A GLN 402.A N GLU 398.A O no hydrogen 3.162 N/A GLN 402.A NE2 ARG 426.A O no hydrogen 3.294 N/A ASN 403.A N TYR 399.A O no hydrogen 3.098 N/A ALA 404.A N LYS 400.A O no hydrogen 3.225 N/A LEU 405.A N PHE 401.A O no hydrogen 3.018 N/A LEU 406.A N GLN 402.A O no hydrogen 2.963 N/A VAL 407.A N ASN 403.A O no hydrogen 3.155 N/A ARG 408.A N ALA 404.A O no hydrogen 3.179 N/A ARG 408.A NH2 ASN 389.A OD1 no hydrogen 3.263 N/A TYR 409.A N LEU 405.A O no hydrogen 3.065 N/A THR 410.A N LEU 406.A O no hydrogen 2.968 N/A THR 410.A OG1 LEU 406.A O no hydrogen 2.580 N/A LYS 411.A N ARG 408.A O no hydrogen 2.923 N/A LYS 411.A NZ PRO 535.A O no hydrogen 2.569 N/A LYS 411.A NZ ALA 537.A O no hydrogen 3.281 N/A LYS 412.A N ARG 408.A O no hydrogen 3.168 N/A VAL 413.A N TYR 409.A O no hydrogen 2.971 N/A GLN 415.A NE2 ASP 492.A OD2 no hydrogen 2.821 N/A VAL 416.A N VAL 413.A O no hydrogen 3.274 N/A THR 418.A OG1 GLU 529.A OE2 no hydrogen 2.338 N/A THR 420.A OG1 SER 417.A OG no hydrogen 2.930 N/A LEU 421.A N SER 417.A O no hydrogen 2.960 N/A VAL 422.A N THR 418.A O no hydrogen 3.011 N/A GLU 423.A N PRO 419.A O no hydrogen 2.778 N/A VAL 424.A N THR 420.A O no hydrogen 2.899 N/A SER 425.A N LEU 421.A O no hydrogen 2.793 N/A SER 425.A OG LEU 421.A O no hydrogen 2.930 N/A ARG 426.A N GLU 423.A O no hydrogen 3.180 N/A ARG 426.A NE GLN 524.A OE1 no hydrogen 2.862 N/A ASN 427.A N GLU 423.A O no hydrogen 3.194 N/A LEU 428.A N VAL 424.A O no hydrogen 2.927 N/A GLY 429.A N SER 425.A O no hydrogen 3.463 N/A LYS 430.A N ARG 426.A O no hydrogen 2.802 N/A LYS 430.A NZ ASP 185.A OD2 no hydrogen 3.315 N/A VAL 431.A N ASN 427.A O no hydrogen 3.122 N/A GLY 432.A N LEU 428.A O no hydrogen 3.372 N/A SER 433.A N GLY 429.A O no hydrogen 3.399 N/A SER 433.A OG GLU 398.A OE1 no hydrogen 2.602 N/A SER 433.A OG LYS 430.A O no hydrogen 2.727 N/A LYS 434.A N LYS 430.A O no hydrogen 3.009 N/A LYS 434.A N VAL 431.A O no hydrogen 3.055 N/A CYS 435.A N GLY 432.A O no hydrogen 3.416 N/A CYS 436.A N GLY 432.A O no hydrogen 2.945 N/A CYS 436.A SG GLY 432.A O no hydrogen 3.054 N/A HIS 438.A N CYS 435.A O no hydrogen 2.573 N/A LYS 442.A N PRO 439.A O no hydrogen 2.776 N/A ARG 443.A N GLU 440.A O no hydrogen 2.934 N/A ARG 443.A NE HIS 438.A O no hydrogen 2.941 N/A ARG 443.A NH2 CYS 436.A O no hydrogen 2.877 N/A CYS 446.A SG LYS 434.A O no hydrogen 3.533 N/A ALA 447.A N ARG 443.A O no hydrogen 3.045 N/A GLU 448.A N MET 444.A O no hydrogen 3.082 N/A ASP 449.A N PRO 445.A O no hydrogen 2.873 N/A TYR 450.A N CYS 446.A O no hydrogen 3.108 N/A LEU 451.A N ALA 447.A O no hydrogen 2.826 N/A SER 452.A N GLU 448.A O no hydrogen 3.067 N/A SER 452.A OG GLU 448.A O no hydrogen 3.464 N/A SER 452.A OG ASP 449.A O no hydrogen 2.641 N/A SER 452.A OG TYR 450.A O no hydrogen 3.507 N/A VAL 453.A N TYR 450.A O no hydrogen 2.757 N/A VAL 454.A N TYR 450.A O no hydrogen 3.483 N/A LEU 455.A N LEU 451.A O no hydrogen 2.979 N/A ASN 456.A N SER 452.A O no hydrogen 3.129 N/A GLN 457.A N VAL 453.A O no hydrogen 2.580 N/A LEU 458.A N VAL 454.A O no hydrogen 3.287 N/A CYS 459.A N LEU 455.A O no hydrogen 2.794 N/A CYS 459.A SG LEU 455.A O no hydrogen 3.367 N/A VAL 460.A N GLN 457.A O no hydrogen 3.044 N/A LEU 461.A N GLN 457.A O no hydrogen 3.290 N/A HIS 462.A N LEU 458.A O no hydrogen 3.152 N/A LYS 464.A N VAL 460.A O no hydrogen 2.832 N/A THR 465.A N LEU 461.A O no hydrogen 3.256 N/A THR 465.A OG1 THR 465.A O no hydrogen 2.505 N/A VAL 467.A N HIS 462.A NE2 no hydrogen 3.002 N/A SER 468.A N HIS 462.A NE2 no hydrogen 3.165 N/A ARG 470.A NH1 LYS 412.A O no hydrogen 3.196 N/A ARG 470.A NH2 LYS 412.A O no hydrogen 2.677 N/A THR 472.A OG1 SER 468.A O no hydrogen 2.643 N/A LYS 473.A N ASP 469.A O no hydrogen 2.711 N/A CYS 474.A N ARG 470.A O no hydrogen 2.932 N/A CYS 474.A SG ARG 470.A O no hydrogen 3.751 N/A CYS 475.A N VAL 471.A O no hydrogen 3.120 N/A CYS 475.A SG VAL 471.A O no hydrogen 2.993 N/A THR 476.A N THR 472.A O no hydrogen 3.188 N/A THR 476.A OG1 THR 472.A O no hydrogen 2.585 N/A THR 476.A OG1 LYS 473.A O no hydrogen 3.184 N/A ASN 481.A N SER 478.A O no hydrogen 2.650 N/A ARG 483.A NH1 GLU 381.A OE2 no hydrogen 2.890 N/A ARG 483.A NH1 SER 487.A OG no hydrogen 2.746 N/A ARG 483.A NH2 GLU 381.A OE1 no hydrogen 2.698 N/A CYS 485.A N ASN 481.A O no hydrogen 3.120 N/A PHE 486.A N ARG 482.A O no hydrogen 3.379 N/A PHE 486.A N ARG 483.A O no hydrogen 3.130 N/A SER 487.A N ARG 483.A O no hydrogen 2.846 N/A SER 487.A OG ARG 483.A O no hydrogen 3.019 N/A LEU 489.A N PHE 486.A O no hydrogen 3.287 N/A ASP 492.A N LYS 411.A O no hydrogen 3.024 N/A THR 494.A N ASP 492.A OD1 no hydrogen 2.704 N/A TYR 495.A N ASP 492.A OD1 no hydrogen 2.683 N/A TYR 495.A OH LYS 532.A O no hydrogen 3.206 N/A LYS 498.A N LYS 532.A O no hydrogen 2.992 N/A LYS 498.A NZ GLU 529.A OE1 no hydrogen 2.996 N/A THR 504.A N ASN 501.A OD1 no hydrogen 2.681 N/A PHE 505.A N ALA 502.A O no hydrogen 3.303 N/A THR 506.A OG1 ALA 502.A O no hydrogen 3.135 N/A THR 506.A OG1 GLU 503.A O no hydrogen 2.710 N/A CYS 512.A N ALA 509.A O no hydrogen 2.957 N/A CYS 512.A SG ALA 509.A O no hydrogen 3.579 N/A THR 513.A N ASP 510.A O no hydrogen 3.313 N/A THR 513.A OG1 THR 513.A O no hydrogen 2.438 N/A ARG 519.A N SER 515.A O no hydrogen 2.640 N/A ARG 519.A N GLU 516.A O no hydrogen 2.919 N/A GLN 524.A N GLN 520.A O no hydrogen 2.555 N/A GLN 524.A NE2 ASN 403.A OD1 no hydrogen 2.591 N/A THR 525.A N LYS 522.A O no hydrogen 2.826 N/A THR 525.A OG1 ILE 521.A O no hydrogen 2.749 N/A ALA 526.A N LYS 522.A O no hydrogen 3.311 N/A LEU 527.A N LYS 523.A O no hydrogen 3.076 N/A GLU 529.A N THR 525.A O no hydrogen 3.222 N/A LEU 530.A N ALA 526.A O no hydrogen 2.658 N/A VAL 531.A N LEU 527.A O no hydrogen 2.797 N/A LYS 532.A N VAL 528.A O no hydrogen 2.942 N/A LYS 532.A NZ VAL 416.A O no hydrogen 2.876 N/A LYS 532.A NZ THR 418.A OG1 no hydrogen 3.074 N/A HIS 533.A N GLU 529.A O no hydrogen 2.876 N/A HIS 533.A N LEU 530.A O no hydrogen 3.160 N/A HIS 533.A ND1 LYS 498.A O no hydrogen 3.003 N/A LYS 534.A N LEU 530.A O no hydrogen 3.024 N/A ALA 537.A N LYS 534.A O no hydrogen 3.202 N/A THR 538.A N GLN 541.A OE1 no hydrogen 2.897 N/A THR 538.A OG1 GLN 541.A OE1 no hydrogen 2.708 N/A LEU 542.A N THR 538.A O no hydrogen 2.776 N/A LYS 543.A N LYS 539.A O no hydrogen 3.176 N/A ALA 544.A N GLU 540.A O no hydrogen 2.862 N/A VAL 545.A N GLN 541.A O no hydrogen 3.279 N/A VAL 545.A N LEU 542.A O no hydrogen 2.573 N/A MET 546.A N LEU 542.A O no hydrogen 3.013 N/A ASP 548.A N ALA 544.A O no hydrogen 3.338 N/A PHE 549.A N VAL 545.A O no hydrogen 2.901 N/A ALA 550.A N MET 546.A O no hydrogen 3.292 N/A ALA 551.A N ASP 547.A O no hydrogen 3.029 N/A PHE 552.A N ASP 548.A O no hydrogen 3.259 N/A VAL 553.A N PHE 549.A O no hydrogen 3.062 N/A CYS 556.A SG CYS 565.A O no hydrogen 2.941 N/A LYS 562.A N ASP 560.A O no hydrogen 2.810 N/A LYS 562.A NZ ALA 509.A O no hydrogen 3.388 N/A GLU 563.A N ASP 561.A OD1 no hydrogen 3.251 N/A THR 564.A N ASP 561.A O no hydrogen 3.071 N/A CYS 565.A SG CYS 556.A O no hydrogen 3.365 N/A CYS 565.A SG CYS 565.A O no hydrogen 2.753 N/A ALA 567.A N THR 564.A O no hydrogen 3.065 N/A GLU 568.A N THR 564.A O no hydrogen 2.900 N/A LYS 571.A N GLU 568.A O no hydrogen 2.770 N/A LEU 573.A N GLU 569.A O no hydrogen 3.291 N/A VAL 574.A N GLY 570.A O no hydrogen 3.286 N/A ALA 575.A N LYS 571.A O no hydrogen 2.925 N/A ALA 576.A N LYS 572.A O no hydrogen 2.725 N/A SER 577.A N LEU 573.A O no hydrogen 2.626 N/A SER 577.A OG LEU 573.A O no hydrogen 3.236 N/A GLN 578.A NE2 VAL 574.A O no hydrogen 2.709 N/A ALA 579.A N ALA 576.A O no hydrogen 3.198 N/A ALA 580.A N SER 577.A O no hydrogen 3.128 N/A LEU 581.A N GLN 578.A O no hydrogen 3.456 N/A