Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5h1m_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N LYS 661.A O no hydrogen 2.968 N/A THR 4.A OG1 PRO 2.A O no hydrogen 3.329 N/A THR 4.A OG1 HIS 660.A ND1 no hydrogen 2.835 N/A LEU 5.A N VAL 659.A O no hydrogen 2.773 N/A SER 8.A N LEU 336.A O no hydrogen 2.783 N/A SER 8.A OG SER 335.A OG no hydrogen 2.936 N/A ASN 10.A N ALA 28.A O no hydrogen 2.969 N/A ASN 10.A ND2 ARG 30.A O no hydrogen 3.416 N/A ASN 10.A ND2 VAL 64.A O no hydrogen 2.829 N/A CYS 13.A SG TRP 11.A O no hydrogen 3.507 N/A CYS 13.A SG SER 65.A O no hydrogen 3.594 N/A ARG 15.A NH1 LEU 154.A O no hydrogen 3.107 N/A ARG 15.A NH1 THR 155.A OG1 no hydrogen 3.037 N/A ARG 15.A NH2 LEU 112.A O no hydrogen 3.024 N/A ARG 15.A NH2 LEU 154.A O no hydrogen 2.902 N/A CYS 16.A N ASN 297.A OD1 no hydrogen 3.177 N/A CYS 16.A SG ASN 10.A O no hydrogen 3.641 N/A CYS 16.A SG ASN 297.A OD1 no hydrogen 3.587 N/A SER 17.A OG ASN 297.A OD1 no hydrogen 3.428 N/A ASP 18.A N GLY 26.A O no hydrogen 3.084 N/A ALA 19.A N ASP 18.A OD1 no hydrogen 2.722 N/A VAL 20.A N LEU 24.A O no hydrogen 2.893 N/A GLY 22.A N GLN 302.A O no hydrogen 2.945 N/A GLY 23.A N VAL 38.A O no hydrogen 2.947 N/A LEU 24.A N VAL 20.A O no hydrogen 3.140 N/A PHE 25.A N VAL 36.A O no hydrogen 2.683 N/A GLY 26.A N ASP 18.A O no hydrogen 2.999 N/A PHE 27.A N PHE 34.A O no hydrogen 3.049 N/A ALA 28.A N CYS 16.A O no hydrogen 2.782 N/A ALA 29.A N SER 32.A O no hydrogen 2.913 N/A ARG 30.A N ASN 10.A OD1 no hydrogen 2.825 N/A SER 32.A N ALA 29.A O no hydrogen 2.998 N/A SER 32.A OG GLU 56.A OE2 no hydrogen 2.878 N/A VAL 33.A N LEU 57.A O no hydrogen 3.324 N/A PHE 34.A N PHE 27.A O no hydrogen 2.948 N/A LEU 35.A N GLY 55.A O no hydrogen 2.807 N/A VAL 36.A N PHE 25.A O no hydrogen 2.460 N/A ARG 37.A N ARG 52.A O no hydrogen 2.905 N/A VAL 38.A N GLY 23.A O no hydrogen 2.833 N/A GLY 39.A N PRO 50.A O no hydrogen 2.739 N/A ALA 42.A N GLY 39.A O no hydrogen 3.027 N/A GLY 43.A N PRO 40.A O no hydrogen 3.284 N/A THR 48.A OG1 GLU 44.A OE1 no hydrogen 3.433 N/A THR 48.A OG1 SER 45.A O no hydrogen 3.128 N/A PHE 51.A N PRO 49.A O no hydrogen 2.953 N/A ARG 52.A N ARG 37.A O no hydrogen 2.869 N/A ARG 52.A NE ALA 42.A O no hydrogen 3.294 N/A ILE 54.A N LEU 35.A O no hydrogen 3.050 N/A LEU 57.A N VAL 33.A O no hydrogen 2.679 N/A HIS 60.A ND1 ASP 85.A OD2 no hydrogen 2.918 N/A HIS 60.A NE2 THR 81.A OG1 no hydrogen 2.652 N/A THR 61.A N ASP 85.A OD2 no hydrogen 3.198 N/A ARG 63.A NE ASP 84.A OD2 no hydrogen 2.611 N/A ARG 63.A NH2 ASP 84.A OD1 no hydrogen 3.132 N/A ARG 63.A NH2 ASP 84.A OD2 no hydrogen 3.263 N/A VAL 64.A N ARG 30.A O no hydrogen 2.825 N/A SER 65.A N SER 82.A O no hydrogen 2.798 N/A SER 65.A OG SER 82.A OG no hydrogen 2.694 N/A GLY 66.A N SER 82.A O no hydrogen 3.330 N/A PHE 67.A N ARG 15.A O no hydrogen 3.019 N/A THR 68.A N ALA 80.A O no hydrogen 2.937 N/A THR 68.A OG1 PHE 69.A O no hydrogen 3.452 N/A PHE 69.A N ASP 18.A OD2 no hydrogen 2.686 N/A SER 70.A N LEU 78.A O no hydrogen 2.892 N/A SER 70.A OG GLN 75.A O no hydrogen 3.355 N/A HIS 71.A ND1 PHE 69.A O no hydrogen 3.062 N/A HIS 72.A NE2 SER 115.A O no hydrogen 2.763 N/A GLN 75.A N HIS 72.A O no hydrogen 2.783 N/A ASN 77.A ND2 ASP 92.A OD1 no hydrogen 3.181 N/A LEU 78.A N GLN 75.A O no hydrogen 3.113 N/A CYS 79.A N TRP 91.A O no hydrogen 3.273 N/A ALA 80.A N THR 68.A O no hydrogen 2.894 N/A THR 81.A N LYS 89.A O no hydrogen 2.958 N/A THR 81.A OG1 HIS 60.A NE2 no hydrogen 2.652 N/A SER 82.A N GLY 66.A O no hydrogen 2.993 N/A SER 82.A OG SER 65.A OG no hydrogen 2.694 N/A SER 83.A N THR 87.A O no hydrogen 3.297 N/A SER 83.A OG GLU 62.A O no hydrogen 3.065 N/A SER 83.A OG ARG 63.A O no hydrogen 3.266 N/A ASP 84.A N ARG 63.A O no hydrogen 2.898 N/A ASP 85.A N SER 83.A OG no hydrogen 3.057 N/A GLY 86.A N SER 83.A O no hydrogen 3.099 N/A THR 87.A N ASP 85.A OD1 no hydrogen 2.967 N/A THR 87.A OG1 ASP 85.A OD1 no hydrogen 2.589 N/A VAL 88.A N HIS 102.A O no hydrogen 2.866 N/A LYS 89.A N THR 81.A O no hydrogen 3.099 N/A LYS 89.A NZ THR 87.A OG1 no hydrogen 3.012 N/A LYS 89.A NZ GLU 101.A OE2 no hydrogen 2.999 N/A ILE 90.A N THR 100.A O no hydrogen 2.750 N/A TRP 91.A N CYS 79.A O no hydrogen 2.745 N/A TRP 91.A NE1 THR 81.A OG1 no hydrogen 2.798 N/A ASP 92.A N THR 97.A O no hydrogen 2.856 N/A VAL 93.A N ASN 77.A O no hydrogen 2.939 N/A GLU 94.A N ASP 92.A OD1 no hydrogen 2.961 N/A THR 95.A N ASP 92.A O no hydrogen 3.230 N/A THR 95.A OG1 ASP 92.A O no hydrogen 3.524 N/A THR 95.A OG1 THR 97.A OG1 no hydrogen 2.344 N/A LYS 96.A NZ VAL 93.A O no hydrogen 3.405 N/A THR 97.A N ASP 92.A O no hydrogen 3.283 N/A THR 97.A OG1 THR 95.A OG1 no hydrogen 2.344 N/A VAL 99.A N ILE 90.A O no hydrogen 2.756 N/A THR 100.A OG1 TYR 134.A OH no hydrogen 3.402 N/A HIS 102.A N VAL 88.A O no hydrogen 2.948 N/A LEU 104.A N HIS 102.A ND1 no hydrogen 3.051 N/A HIS 105.A ND1 ASP 126.A OD2 no hydrogen 2.686 N/A HIS 105.A NE2 SER 124.A OG no hydrogen 2.555 N/A SER 110.A N GLY 125.A O no hydrogen 2.700 N/A SER 110.A OG ILE 151.A O no hydrogen 2.717 N/A THR 111.A N GLY 125.A O no hydrogen 3.371 N/A HIS 113.A N VAL 123.A O no hydrogen 2.756 N/A TRP 114.A N THR 68.A OG1 no hydrogen 3.110 N/A TRP 114.A NE1 LYS 119.A O no hydrogen 2.943 N/A SER 115.A N LEU 121.A O no hydrogen 2.966 N/A ARG 117.A N SER 115.A OG no hydrogen 3.193 N/A ARG 117.A NE HIS 159.A O no hydrogen 2.939 N/A VAL 118.A N SER 115.A OG no hydrogen 3.090 N/A LEU 121.A N VAL 118.A O no hydrogen 3.501 N/A ILE 122.A N TYR 134.A O no hydrogen 2.720 N/A VAL 123.A N HIS 113.A O no hydrogen 2.912 N/A SER 124.A N PHE 132.A O no hydrogen 3.011 N/A SER 124.A OG HIS 105.A NE2 no hydrogen 2.555 N/A GLY 125.A N THR 111.A O no hydrogen 3.171 N/A ASP 126.A N VAL 130.A O no hydrogen 3.007 N/A GLU 127.A N THR 108.A O no hydrogen 2.916 N/A LYS 128.A N ASP 126.A OD1 no hydrogen 3.288 N/A GLY 129.A N ASP 126.A O no hydrogen 3.218 N/A VAL 130.A N ASP 126.A OD1 no hydrogen 2.904 N/A VAL 131.A N LEU 144.A O no hydrogen 2.965 N/A PHE 132.A N SER 124.A O no hydrogen 2.954 N/A CYS 133.A N GLN 142.A O no hydrogen 3.330 N/A TYR 134.A N ILE 122.A O no hydrogen 2.959 N/A TRP 135.A N ASP 140.A O no hydrogen 3.221 N/A PHE 136.A N ASP 120.A O no hydrogen 3.144 N/A ASP 140.A N TRP 135.A O no hydrogen 3.072 N/A GLN 142.A NE2 ILE 178.A O no hydrogen 3.101 N/A LEU 144.A N VAL 131.A O no hydrogen 2.765 N/A ARG 149.A N GLU 147.A O no hydrogen 2.627 N/A ARG 149.A NE GLU 147.A OE1 no hydrogen 2.506 N/A ARG 149.A NH1 ASP 170.A OD2 no hydrogen 2.748 N/A THR 150.A OG1 GLU 127.A O no hydrogen 3.263 N/A PHE 152.A N GLY 167.A O no hydrogen 2.843 N/A CYS 153.A N GLY 167.A O no hydrogen 3.337 N/A CYS 153.A SG ILE 195.A O no hydrogen 3.707 N/A THR 155.A N ALA 165.A O no hydrogen 2.835 N/A THR 155.A OG1 ILE 198.A O no hydrogen 2.812 N/A CYS 156.A N HIS 113.A ND1 no hydrogen 2.888 N/A SER 157.A N LEU 163.A O no hydrogen 2.943 N/A HIS 159.A N SER 157.A OG no hydrogen 3.068 N/A HIS 159.A NE2 CYS 201.A O no hydrogen 2.911 N/A HIS 160.A N SER 157.A OG no hydrogen 3.072 N/A ASP 162.A N HIS 160.A ND1 no hydrogen 3.050 N/A LEU 163.A N HIS 160.A O no hydrogen 3.406 N/A VAL 164.A N ILE 176.A O no hydrogen 3.002 N/A ALA 165.A N THR 155.A O no hydrogen 2.989 N/A ILE 166.A N VAL 174.A O no hydrogen 2.787 N/A GLY 167.A N CYS 153.A O no hydrogen 2.744 N/A TYR 168.A N ILE 172.A O no hydrogen 2.926 N/A LYS 169.A N THR 150.A O no hydrogen 2.942 N/A GLY 171.A N TYR 168.A O no hydrogen 3.492 N/A ILE 172.A N ASP 170.A OD1 no hydrogen 3.141 N/A VAL 173.A N LEU 188.A O no hydrogen 3.384 N/A VAL 174.A N ILE 166.A O no hydrogen 2.939 N/A ILE 175.A N HIS 186.A O no hydrogen 3.049 N/A ILE 176.A N VAL 164.A O no hydrogen 2.863 N/A ASP 177.A N GLU 183.A O no hydrogen 3.029 N/A ILE 178.A N ASP 162.A O no hydrogen 2.979 N/A SER 179.A N ASP 177.A OD1 no hydrogen 2.819 N/A SER 179.A OG ASP 177.A OD1 no hydrogen 2.323 N/A LYS 180.A N ASP 177.A O no hydrogen 3.195 N/A LYS 180.A N ASP 177.A OD1 no hydrogen 3.130 N/A GLY 182.A N ASP 177.A O no hydrogen 2.927 N/A GLU 183.A N LYS 180.A O no hydrogen 3.228 N/A ILE 185.A N ILE 175.A O no hydrogen 2.772 N/A HIS 186.A N ILE 175.A O no hydrogen 3.303 N/A ARG 187.A NE GLU 147.A OE2 no hydrogen 2.641 N/A ARG 187.A NH2 GLU 147.A OE1 no hydrogen 2.996 N/A ARG 187.A NH2 GLU 147.A OE2 no hydrogen 3.290 N/A LEU 188.A N VAL 173.A O no hydrogen 2.796 N/A HIS 191.A ND1 ASP 213.A OD2 no hydrogen 3.022 N/A HIS 191.A NE2 THR 209.A OG1 no hydrogen 2.647 N/A ASP 192.A N ASP 213.A OD2 no hydrogen 2.857 N/A GLU 194.A N ASP 193.A OD1 no hydrogen 2.678 N/A ILE 195.A N TYR 168.A O no hydrogen 3.112 N/A HIS 196.A N GLY 210.A O no hydrogen 2.898 N/A HIS 196.A NE2 GLU 194.A OE1 no hydrogen 2.991 N/A ALA 199.A N ALA 208.A O no hydrogen 2.890 N/A TRP 200.A NE1 THR 155.A O no hydrogen 3.090 N/A CYS 201.A N TYR 206.A O no hydrogen 2.856 N/A CYS 201.A SG LEU 203.A O no hydrogen 3.948 N/A LEU 207.A N TRP 219.A O no hydrogen 3.424 N/A ALA 208.A N ALA 199.A O no hydrogen 2.605 N/A THR 209.A N ARG 217.A O no hydrogen 2.917 N/A THR 209.A OG1 HIS 191.A NE2 no hydrogen 2.647 N/A THR 209.A OG1 ARG 217.A O no hydrogen 3.507 N/A GLY 210.A N SER 197.A O no hydrogen 2.985 N/A SER 211.A OG ASP 193.A O no hydrogen 3.054 N/A SER 211.A OG GLU 194.A O no hydrogen 2.928 N/A LYS 212.A N GLU 194.A O no hydrogen 2.893 N/A ASP 213.A N SER 211.A OG no hydrogen 3.092 N/A GLN 214.A N SER 211.A O no hydrogen 3.287 N/A THR 215.A N ASP 213.A OD1 no hydrogen 2.982 N/A THR 215.A OG1 HIS 191.A ND1 no hydrogen 3.318 N/A THR 215.A OG1 ASP 213.A OD1 no hydrogen 2.492 N/A ILE 216.A N LEU 230.A O no hydrogen 2.512 N/A ARG 217.A N THR 209.A O no hydrogen 2.956 N/A ILE 218.A N MET 228.A O no hydrogen 3.000 N/A TRP 219.A N LEU 207.A O no hydrogen 2.942 N/A TRP 219.A NE1 THR 209.A OG1 no hydrogen 2.971 N/A SER 220.A N ARG 225.A O no hydrogen 2.901 N/A SER 220.A OG SER 222.A OG no hydrogen 2.905 N/A CYS 221.A N CYS 205.A O no hydrogen 3.266 N/A CYS 221.A SG CYS 205.A O no hydrogen 3.328 N/A SER 222.A OG SER 220.A OG no hydrogen 2.905 N/A VAL 227.A N ILE 218.A O no hydrogen 2.858 N/A MET 228.A N ILE 218.A O no hydrogen 3.374 N/A LEU 230.A N ILE 216.A O no hydrogen 2.672 N/A LYS 231.A NZ GLN 214.A OE1 no hydrogen 3.418 N/A LEU 232.A N GLN 214.A O no hydrogen 2.804 N/A ARG 238.A NE GLU 265.A OE2 no hydrogen 3.117 N/A ARG 238.A NH1 GLU 265.A OE1 no hydrogen 3.106 N/A ARG 238.A NH1 PHE 282.A O no hydrogen 3.409 N/A ARG 238.A NH1 SER 283.A O no hydrogen 3.438 N/A ARG 238.A NH2 SER 283.A O no hydrogen 2.962 N/A ARG 238.A NH2 GLU 287.A OE2 no hydrogen 3.236 N/A ARG 242.A NH1 GLU 194.A OE2 no hydrogen 3.429 N/A LEU 245.A N HIS 196.A ND1 no hydrogen 2.992 N/A THR 246.A N SER 260.A OG no hydrogen 3.055 N/A THR 246.A OG1 PHE 296.A O no hydrogen 3.293 N/A LEU 247.A N SER 197.A OG no hydrogen 2.996 N/A HIS 248.A N VAL 258.A O no hydrogen 2.681 N/A TRP 249.A NE1 PRO 254.A O no hydrogen 2.886 N/A SER 251.A OG ASN 252.A OD1 no hydrogen 3.482 N/A GLN 253.A N PRO 250.A O no hydrogen 3.262 N/A GLN 256.A N GLN 253.A O no hydrogen 2.777 N/A GLN 256.A NE2 THR 255.A OG1 no hydrogen 2.749 N/A GLN 256.A NE2 ASP 270.A OD1 no hydrogen 2.992 N/A LEU 257.A N TRP 269.A O no hydrogen 3.019 N/A VAL 258.A N HIS 248.A O no hydrogen 2.776 N/A SER 259.A N LEU 267.A O no hydrogen 2.936 N/A SER 259.A OG SER 260.A O no hydrogen 2.990 N/A SER 260.A N THR 246.A O no hydrogen 3.072 N/A SER 260.A OG TRP 244.A O no hydrogen 2.581 N/A CYS 261.A SG PRO 233.A O no hydrogen 3.918 N/A GLY 264.A N CYS 261.A O no hydrogen 3.304 N/A GLU 265.A N PHE 262.A O no hydrogen 3.367 N/A LEU 267.A N SER 259.A O no hydrogen 2.818 N/A GLN 268.A N THR 280.A O no hydrogen 2.941 N/A GLN 268.A NE2 GLN 253.A OE1 no hydrogen 3.318 N/A GLN 268.A NE2 GLN 256.A OE1 no hydrogen 3.634 N/A TRP 269.A N LEU 257.A O no hydrogen 2.796 N/A TRP 269.A NE1 SER 259.A OG no hydrogen 3.100 N/A ASP 270.A N LYS 278.A O no hydrogen 2.969 N/A LEU 271.A N THR 255.A O no hydrogen 2.916 N/A THR 272.A N ASP 270.A OD1 no hydrogen 3.435 N/A THR 272.A OG1 ASP 270.A OD1 no hydrogen 2.880 N/A THR 272.A OG1 ASP 270.A OD2 no hydrogen 2.980 N/A ARG 277.A N SER 274.A O no hydrogen 3.027 N/A THR 280.A N GLN 268.A O no hydrogen 2.840 N/A PHE 282.A N LEU 266.A O no hydrogen 2.919 N/A SER 283.A N LEU 327.A O no hydrogen 2.699 N/A SER 283.A OG SER 286.A O no hydrogen 3.511 N/A ASN 290.A ND2 HIS 291.A O no hydrogen 3.158 N/A HIS 291.A ND1 ASP 316.A OD1 no hydrogen 3.306 N/A HIS 291.A ND1 ASP 316.A OD2 no hydrogen 2.971 N/A HIS 291.A NE2 SER 312.A OG no hydrogen 2.542 N/A SER 292.A N ASP 316.A OD2 no hydrogen 2.848 N/A ILE 294.A N GLU 241.A OE1 no hydrogen 3.045 N/A PHE 296.A N THR 313.A O no hydrogen 2.858 N/A ASN 297.A N THR 313.A OG1 no hydrogen 3.173 N/A ASN 297.A ND2 CYS 13.A O no hydrogen 3.082 N/A ASN 297.A ND2 PHE 296.A O no hydrogen 2.686 N/A CYS 299.A N LEU 311.A O no hydrogen 2.928 N/A CYS 299.A SG SER 17.A OG no hydrogen 3.188 N/A LEU 301.A N LEU 309.A O no hydrogen 2.788 N/A THR 303.A N LYS 307.A O no hydrogen 3.237 N/A THR 303.A OG1 ASP 305.A OD1 no hydrogen 2.344 N/A GLU 304.A N GLY 22.A O no hydrogen 2.970 N/A ASP 306.A N THR 303.A O no hydrogen 3.002 N/A LYS 307.A N THR 303.A OG1 no hydrogen 3.149 N/A LEU 309.A N LEU 301.A O no hydrogen 2.935 N/A LEU 310.A N TRP 322.A O no hydrogen 2.847 N/A LEU 311.A N CYS 299.A O no hydrogen 2.876 N/A SER 312.A N LYS 320.A O no hydrogen 2.881 N/A SER 312.A OG HIS 291.A NE2 no hydrogen 2.542 N/A THR 313.A N ASN 297.A O no hydrogen 3.189 N/A SER 314.A OG ARG 293.A O no hydrogen 2.888 N/A SER 314.A OG ILE 294.A O no hydrogen 2.959 N/A MET 315.A N ILE 294.A O no hydrogen 2.901 N/A ASP 316.A N SER 314.A OG no hydrogen 2.980 N/A ARG 317.A N SER 314.A O no hydrogen 3.152 N/A ARG 317.A NH1 SER 8.A OG no hydrogen 3.311 N/A ASP 318.A N ASP 316.A OD1 no hydrogen 2.824 N/A VAL 319.A N LEU 333.A O no hydrogen 2.852 N/A LYS 320.A N SER 312.A O no hydrogen 3.111 N/A LYS 320.A NZ GLN 289.A O no hydrogen 2.780 N/A LYS 320.A NZ THR 332.A OG1 no hydrogen 3.083 N/A CYS 321.A N TRP 331.A O no hydrogen 3.024 N/A TRP 322.A N LEU 310.A O no hydrogen 2.706 N/A TRP 322.A NE1 SER 312.A OG no hydrogen 3.006 N/A ASP 323.A N GLU 328.A O no hydrogen 2.861 N/A ILE 324.A N GLN 308.A O no hydrogen 2.883 N/A ALA 325.A N ASP 323.A OD1 no hydrogen 3.292 N/A THR 326.A N ASP 323.A O no hydrogen 3.213 N/A THR 326.A OG1 ASP 323.A O no hydrogen 3.482 N/A THR 326.A OG1 ASP 323.A OD2 no hydrogen 2.930 N/A LEU 327.A N ASP 323.A O no hydrogen 2.629 N/A GLU 328.A N THR 326.A OG1 no hydrogen 3.371 N/A CYS 329.A SG CYS 321.A O no hydrogen 3.918 N/A CYS 329.A SG TRP 331.A O no hydrogen 3.262 N/A CYS 329.A SG THR 332.A OG1 no hydrogen 3.694 N/A SER 330.A N CYS 321.A O no hydrogen 2.578 N/A TRP 331.A N CYS 321.A O no hydrogen 3.419 N/A LEU 333.A N VAL 319.A O no hydrogen 2.704 N/A SER 335.A OG SER 8.A OG no hydrogen 2.936 N/A SER 335.A OG ARG 317.A O no hydrogen 2.462 N/A LEU 336.A N PRO 6.A O no hydrogen 2.877 N/A GLY 337.A N ASP 359.A OD2 no hydrogen 2.799 N/A ALA 340.A N ALA 654.A O no hydrogen 3.158 N/A TYR 341.A N GLY 356.A O no hydrogen 2.880 N/A ALA 344.A N ALA 354.A O no hydrogen 3.070 N/A SER 346.A N SER 352.A O no hydrogen 3.146 N/A VAL 348.A N SER 346.A OG no hydrogen 3.029 N/A ASP 349.A N SER 346.A OG no hydrogen 3.004 N/A SER 352.A N ASP 349.A O no hydrogen 2.962 N/A LEU 353.A N TRP 365.A O no hydrogen 2.847 N/A ALA 354.A N ALA 344.A O no hydrogen 2.902 N/A ILE 355.A N ARG 363.A O no hydrogen 2.689 N/A GLY 356.A N SER 342.A O no hydrogen 2.944 N/A GLY 358.A N PHE 339.A O no hydrogen 2.938 N/A MET 361.A N ASP 359.A OD1 no hydrogen 3.202 N/A ILE 362.A N PHE 379.A O no hydrogen 2.925 N/A ARG 363.A N ILE 355.A O no hydrogen 3.104 N/A ARG 363.A NH1 ASP 359.A OD1 no hydrogen 3.035 N/A ARG 363.A NH1 ASP 359.A OD2 no hydrogen 3.561 N/A ARG 363.A NH1 MET 361.A O no hydrogen 2.802 N/A ARG 363.A NH2 SER 335.A O no hydrogen 2.890 N/A ARG 363.A NH2 ASP 359.A OD2 no hydrogen 2.831 N/A VAL 364.A N LYS 377.A O no hydrogen 2.890 N/A TRP 365.A N LEU 353.A O no hydrogen 2.589 N/A ASN 366.A N ASP 375.A O no hydrogen 2.819 N/A ASN 366.A ND2 ASP 375.A OD2 no hydrogen 3.551 N/A THR 367.A N GLY 351.A O no hydrogen 3.151 N/A THR 367.A OG1 GLY 351.A O no hydrogen 2.638 N/A LEU 368.A N ASN 366.A OD1 no hydrogen 3.288 N/A SER 369.A N ASN 366.A O no hydrogen 3.480 N/A TYR 374.A N ASN 372.A OD1 no hydrogen 2.892 N/A TYR 374.A OH THR 4.A O no hydrogen 3.260 N/A LYS 377.A N VAL 364.A O no hydrogen 2.906 N/A PHE 379.A N ILE 362.A O no hydrogen 2.858 N/A GLN 381.A NE2 TYR 412.A OH no hydrogen 3.050 N/A GLN 381.A NE2 ASN 417.A O no hydrogen 3.368 N/A GLN 381.A NE2 LYS 418.A O no hydrogen 3.554 N/A VAL 383.A N TRP 380.A O no hydrogen 3.463 N/A SER 385.A N VAL 383.A O no hydrogen 2.438 N/A SER 385.A OG VAL 383.A O no hydrogen 3.177 N/A SER 385.A OG ASP 406.A OD1 no hydrogen 3.215 N/A SER 385.A OG ASP 406.A OD2 no hydrogen 3.089 N/A VAL 387.A N VAL 357.A O no hydrogen 3.147 N/A THR 388.A N GLY 403.A O no hydrogen 2.862 N/A THR 388.A OG1 VAL 431.A O no hydrogen 2.564 N/A ALA 389.A N GLY 403.A O no hydrogen 3.271 N/A CYS 391.A N ALA 401.A O no hydrogen 2.925 N/A CYS 391.A SG TRP 392.A O no hydrogen 3.957 N/A CYS 391.A SG LEU 434.A O no hydrogen 4.028 N/A TRP 392.A NE1 ALA 344.A O no hydrogen 2.742 N/A HIS 393.A N CYS 399.A O no hydrogen 2.822 N/A THR 395.A N HIS 393.A ND1 no hydrogen 3.106 N/A LYS 396.A N HIS 393.A ND1 no hydrogen 3.095 N/A CYS 399.A N LYS 396.A O no hydrogen 3.360 N/A LEU 400.A N TYR 412.A O no hydrogen 2.832 N/A ALA 401.A N CYS 391.A O no hydrogen 2.832 N/A PHE 402.A N GLY 410.A O no hydrogen 3.084 N/A GLY 403.A N ALA 389.A O no hydrogen 2.962 N/A THR 404.A N LYS 408.A O no hydrogen 2.938 N/A THR 404.A OG1 ASP 406.A OD1 no hydrogen 2.273 N/A ASP 405.A N LYS 386.A O no hydrogen 3.097 N/A GLY 407.A N THR 404.A O no hydrogen 3.079 N/A LYS 408.A N THR 404.A OG1 no hydrogen 3.186 N/A GLY 410.A N PHE 402.A O no hydrogen 2.800 N/A LEU 411.A N GLN 421.A O no hydrogen 2.881 N/A TYR 412.A N LEU 400.A O no hydrogen 2.859 N/A THR 414.A N GLY 398.A O no hydrogen 2.703 N/A THR 414.A OG1 GLY 398.A O no hydrogen 3.022 N/A TYR 415.A N ASP 413.A OD1 no hydrogen 3.334 N/A TYR 415.A OH ASP 349.A OD2 no hydrogen 3.144 N/A TYR 415.A OH GLU 397.A OE1 no hydrogen 2.926 N/A SER 416.A OG ASP 413.A OD2 no hydrogen 2.474 N/A LYS 418.A N SER 416.A OG no hydrogen 3.409 N/A GLN 421.A N LEU 411.A O no hydrogen 3.043 N/A SER 423.A N VAL 409.A O no hydrogen 2.963 N/A SER 423.A OG THR 425.A O no hydrogen 3.120 N/A SER 423.A OG HIS 462.A ND1 no hydrogen 3.163 N/A SER 423.A OG LEU 467.A O no hydrogen 3.538 N/A SER 424.A N LEU 467.A O no hydrogen 3.427 N/A SER 424.A OG.A SER 468.A O no hydrogen 2.783 N/A SER 424.A OG.B SER 468.A O no hydrogen 2.962 N/A SER 424.A OG.B GLY 469.A O no hydrogen 2.469 N/A THR 425.A OG1 GLU 470.A OE2 no hydrogen 3.129 N/A HIS 427.A N GLY 407.A O no hydrogen 3.086 N/A HIS 427.A ND1 GLU 456.A OE1 no hydrogen 2.902 N/A HIS 427.A NE2 SER 452.A OG no hydrogen 2.555 N/A LYS 429.A N GLU 456.A OE2 no hydrogen 3.114 N/A THR 430.A OG1 ASP 405.A O no hydrogen 2.987 N/A VAL 431.A N THR 404.A O no hydrogen 3.133 N/A TYR 432.A N CYS 453.A O no hydrogen 3.020 N/A THR 433.A OG1 GLU 493.A OE1 no hydrogen 2.877 N/A ALA 435.A N TYR 451.A O no hydrogen 2.891 N/A GLY 437.A N ALA 449.A O no hydrogen 3.129 N/A VAL 440.A N GLN 461.A OE1 no hydrogen 2.855 N/A SER 444.A N VAL 440.A O no hydrogen 3.322 N/A LEU 445.A N PRO 442.A O no hydrogen 3.195 N/A ALA 449.A N GLY 437.A O no hydrogen 2.580 N/A LEU 450.A N HIS 462.A O no hydrogen 3.162 N/A TYR 451.A N ALA 435.A O no hydrogen 2.687 N/A TYR 451.A OH PRO 438.A O no hydrogen 2.925 N/A SER 452.A N LEU 460.A O no hydrogen 2.934 N/A SER 452.A OG HIS 427.A NE2 no hydrogen 2.555 N/A SER 452.A OG HIS 462.A NE2 no hydrogen 2.705 N/A CYS 453.A N THR 433.A O no hydrogen 2.984 N/A CYS 453.A SG GLY 454.A O no hydrogen 3.886 N/A CYS 453.A SG HIS 491.A O no hydrogen 3.267 N/A GLY 454.A N ILE 458.A O no hydrogen 3.189 N/A GLY 455.A N THR 430.A O no hydrogen 2.938 N/A GLU 456.A N GLU 456.A OE2 no hydrogen 2.708 N/A GLY 457.A N GLY 454.A O no hydrogen 2.948 N/A ILE 458.A N GLU 456.A OE1 no hydrogen 3.303 N/A LEU 460.A N SER 452.A O no hydrogen 2.788 N/A GLN 461.A N PHE 472.A O no hydrogen 2.782 N/A GLN 461.A NE2 VAL 440.A O no hydrogen 3.163 N/A HIS 462.A N LEU 450.A O no hydrogen 2.649 N/A HIS 462.A NE2 SER 452.A OG no hydrogen 2.705 N/A TRP 465.A N ASN 463.A OD1 no hydrogen 2.980 N/A LYS 466.A N ASN 463.A O no hydrogen 3.155 N/A GLY 469.A N LYS 466.A O no hydrogen 2.993 N/A ALA 471.A N THR 425.A OG1 no hydrogen 3.297 N/A PHE 472.A N GLN 461.A O no hydrogen 3.051 N/A ILE 474.A N VAL 459.A O no hydrogen 3.241 N/A ASN 475.A N ASP 473.A OD1 no hydrogen 2.914 N/A LYS 476.A N ASP 473.A O no hydrogen 3.216 N/A LEU 477.A N ILE 474.A O no hydrogen 3.066 N/A ILE 478.A N ILE 474.A O no hydrogen 2.933 N/A ARG 479.A N ASN 475.A O no hydrogen 2.875 N/A ARG 479.A NE ASP 480.A OD1 no hydrogen 2.888 N/A ARG 479.A NH1 ASP 480.A OD1 no hydrogen 3.315 N/A THR 481.A N LEU 477.A O no hydrogen 2.889 N/A THR 481.A OG1 LEU 477.A O no hydrogen 2.909 N/A THR 481.A OG1 ASN 519.A O no hydrogen 2.827 N/A ASN 482.A N ILE 478.A O no hydrogen 3.100 N/A ASN 482.A ND2 ILE 478.A O no hydrogen 3.179 N/A ASN 482.A ND2 LEU 520.A O no hydrogen 2.909 N/A SER 483.A N ASP 480.A O no hydrogen 3.272 N/A ILE 484.A N ARG 479.A O no hydrogen 2.826 N/A HIS 491.A N GLY 457.A O no hydrogen 3.074 N/A HIS 491.A ND1 ASN 507.A OD1 no hydrogen 2.644 N/A HIS 491.A NE2 ASN 475.A OD1 no hydrogen 2.815 N/A THR 492.A N GLY 506.A O no hydrogen 2.722 N/A THR 492.A OG1 VAL 533.A O no hydrogen 2.748 N/A GLU 493.A N GLY 506.A O no hydrogen 3.309 N/A SER 495.A N ALA 504.A O no hydrogen 2.956 N/A SER 495.A OG ILE 536.A O no hydrogen 3.374 N/A LYS 497.A N ILE 502.A O no hydrogen 2.725 N/A LYS 497.A NZ ASP 499.A OD2 no hydrogen 2.735 N/A GLY 500.A N LYS 497.A O no hydrogen 2.939 N/A LYS 501.A N ASP 499.A OD1 no hydrogen 2.835 N/A MET 503.A N PHE 515.A O no hydrogen 3.108 N/A ALA 504.A N SER 495.A O no hydrogen 2.907 N/A LEU 505.A N GLU 513.A O no hydrogen 2.987 N/A GLY 506.A N GLU 493.A O no hydrogen 2.839 N/A ASN 507.A N SER 511.A O no hydrogen 2.976 N/A ASN 507.A ND2 SER 511.A O no hydrogen 2.894 N/A ASN 507.A ND2 SER 511.A OG no hydrogen 3.066 N/A GLU 508.A N VAL 490.A O no hydrogen 2.849 N/A GLY 510.A N ASN 507.A O no hydrogen 3.112 N/A SER 511.A N ASP 509.A OD1 no hydrogen 2.803 N/A SER 511.A OG ASP 509.A OD1 no hydrogen 2.528 N/A ILE 512.A N ILE 526.A O no hydrogen 2.999 N/A GLU 513.A N LEU 505.A O no hydrogen 2.814 N/A ILE 514.A N CYS 524.A O no hydrogen 2.727 N/A PHE 515.A N MET 503.A O no hydrogen 2.979 N/A GLN 516.A N LYS 521.A O no hydrogen 3.249 N/A ILE 517.A N LYS 501.A O no hydrogen 3.312 N/A LYS 521.A N GLN 516.A O no hydrogen 3.219 N/A LYS 521.A NZ GLU 575.A O no hydrogen 2.753 N/A LEU 522.A N ASN 482.A OD1 no hydrogen 2.433 N/A ILE 523.A N ILE 514.A O no hydrogen 3.045 N/A CYS 524.A SG VAL 578.A O no hydrogen 3.480 N/A THR 525.A N VAL 578.A O no hydrogen 2.752 N/A ILE 526.A N ILE 512.A O no hydrogen 2.773 N/A GLN 527.A N ILE 580.A O no hydrogen 2.839 N/A GLN 528.A NE2 THR 581.A O no hydrogen 3.306 N/A HIS 529.A NE2 SER 554.A OG no hydrogen 2.829 N/A VAL 533.A N ASN 507.A O no hydrogen 3.208 N/A ASN 534.A N GLY 555.A O no hydrogen 2.806 N/A ASN 534.A ND2 ASN 557.A OD1 no hydrogen 3.127 N/A ASN 534.A ND2 ILE 594.A O no hydrogen 3.136 N/A THR 535.A N GLY 555.A O no hydrogen 3.257 N/A ILE 536.A N GLU 493.A OE2 no hydrogen 3.031 N/A SER 537.A N ALA 553.A O no hydrogen 3.060 N/A HIS 539.A N LEU 551.A O no hydrogen 3.197 N/A HIS 539.A ND1 HIS 540.A O no hydrogen 2.876 N/A HIS 540.A NE2 HIS 603.A O no hydrogen 2.933 N/A HIS 542.A N HIS 540.A ND1 no hydrogen 3.128 N/A HIS 542.A NE2 PRO 601.A O no hydrogen 2.864 N/A SER 544.A N ASP 604.A OD1 no hydrogen 3.436 N/A SER 544.A N ASP 604.A OD2 no hydrogen 3.167 N/A SER 544.A OG ASP 604.A OD2 no hydrogen 2.654 N/A LEU 548.A N GLN 545.A O no hydrogen 2.938 N/A SER 549.A N PRO 546.A O no hydrogen 3.503 N/A SER 549.A OG PRO 546.A O no hydrogen 2.719 N/A TYR 550.A N GLU 547.A O no hydrogen 3.481 N/A LEU 551.A N LEU 548.A O no hydrogen 2.995 N/A MET 552.A N HIS 564.A O no hydrogen 2.917 N/A ALA 553.A N SER 537.A O no hydrogen 3.036 N/A SER 554.A N TYR 562.A O no hydrogen 2.925 N/A SER 554.A OG HIS 529.A NE2 no hydrogen 2.829 N/A SER 554.A OG TYR 562.A O no hydrogen 3.512 N/A GLY 555.A N THR 535.A O no hydrogen 2.945 N/A SER 556.A OG HIS 529.A ND1 no hydrogen 2.559 N/A ASN 557.A N LEU 532.A O no hydrogen 3.202 N/A ASN 558.A N SER 556.A OG no hydrogen 3.355 N/A ILE 561.A N LEU 587.A O no hydrogen 2.962 N/A TYR 562.A N SER 554.A O no hydrogen 3.387 N/A VAL 563.A N ARG 585.A O no hydrogen 3.105 N/A HIS 564.A N MET 552.A O no hydrogen 2.790 N/A HIS 564.A NE2 GLN 528.A OE1 no hydrogen 2.873 N/A LEU 566.A N TYR 550.A O no hydrogen 2.974 N/A LYS 567.A N ASN 565.A OD1 no hydrogen 3.122 N/A LYS 567.A NZ GLU 571.A OE1 no hydrogen 2.990 N/A ILE 570.A N LEU 566.A O no hydrogen 3.350 N/A GLU 571.A N LYS 567.A O no hydrogen 3.025 N/A SER 572.A N THR 568.A O no hydrogen 2.819 N/A SER 572.A OG THR 568.A O no hydrogen 3.215 N/A SER 572.A OG VAL 569.A O no hydrogen 3.062 N/A SER 573.A N ILE 570.A O no hydrogen 3.212 N/A VAL 578.A N ILE 523.A O no hydrogen 3.007 N/A ILE 580.A N THR 525.A O no hydrogen 2.937 N/A ARG 585.A N VAL 563.A O no hydrogen 2.994 N/A ARG 585.A NE LEU 622.A O no hydrogen 2.596 N/A ARG 585.A NH1 TYR 584.A O no hydrogen 2.695 N/A ARG 585.A NH2 LEU 622.A O no hydrogen 3.207 N/A THR 586.A N GLU 624.A OE1 no hydrogen 2.838 N/A LEU 587.A N ILE 561.A O no hydrogen 2.723 N/A HIS 590.A ND1 ASP 613.A OD2 no hydrogen 2.711 N/A HIS 590.A NE2 SER 609.A OG no hydrogen 2.637 N/A THR 591.A N ASP 613.A OD2 no hydrogen 3.194 N/A ILE 594.A N SER 556.A O no hydrogen 2.847 N/A THR 595.A N ALA 610.A O no hydrogen 2.873 N/A THR 595.A OG1 ALA 610.A O no hydrogen 3.262 N/A THR 595.A OG1 LEU 637.A O no hydrogen 2.700 N/A VAL 597.A N THR 535.A OG1 no hydrogen 3.209 N/A ALA 598.A N VAL 608.A O no hydrogen 2.964 N/A TRP 599.A NE1 SER 537.A O no hydrogen 2.991 N/A SER 600.A N ARG 606.A O no hydrogen 2.850 N/A SER 600.A OG HIS 603.A ND1 no hydrogen 2.789 N/A HIS 602.A N SER 600.A OG no hydrogen 3.125 N/A HIS 602.A NE2 SER 643.A O no hydrogen 2.511 N/A HIS 603.A ND1 SER 600.A OG no hydrogen 2.789 N/A GLY 605.A N HIS 539.A NE2 no hydrogen 3.085 N/A LEU 607.A N TRP 619.A O no hydrogen 2.915 N/A VAL 608.A N ALA 598.A O no hydrogen 2.917 N/A SER 609.A N GLN 617.A O no hydrogen 2.851 N/A SER 609.A OG HIS 590.A NE2 no hydrogen 2.637 N/A SER 609.A OG GLN 617.A O no hydrogen 3.458 N/A ALA 610.A N SER 596.A O no hydrogen 2.661 N/A SER 611.A N THR 615.A O no hydrogen 3.289 N/A SER 611.A OG ALA 592.A O no hydrogen 3.350 N/A SER 611.A OG LYS 593.A O no hydrogen 3.274 N/A TYR 612.A N LYS 593.A O no hydrogen 2.895 N/A ASP 613.A N SER 611.A OG no hydrogen 2.992 N/A GLY 614.A N SER 611.A O no hydrogen 3.321 N/A THR 615.A N ASP 613.A OD1 no hydrogen 2.866 N/A THR 615.A OG1 ASP 613.A OD1 no hydrogen 2.844 N/A ALA 616.A N PHE 630.A O no hydrogen 3.078 N/A GLN 617.A N SER 609.A O no hydrogen 2.970 N/A GLN 617.A NE2 VAL 618.A O no hydrogen 2.859 N/A GLN 617.A NE2 SER 670.A O no hydrogen 2.709 N/A VAL 618.A N CYS 628.A O no hydrogen 2.844 N/A TRP 619.A N LEU 607.A O no hydrogen 2.589 N/A TRP 619.A NE1 SER 609.A OG no hydrogen 2.955 N/A ASP 620.A N GLU 625.A O no hydrogen 2.941 N/A ALA 621.A N GLY 605.A O no hydrogen 2.736 N/A ARG 623.A N ASP 620.A O no hydrogen 3.156 N/A ARG 623.A NE ASP 620.A OD2 no hydrogen 2.502 N/A GLU 624.A N ALA 621.A O no hydrogen 2.971 N/A GLU 625.A N ASP 620.A O no hydrogen 3.127 N/A LEU 627.A N VAL 618.A O no hydrogen 2.786 N/A CYS 628.A SG THR 664.A O no hydrogen 3.444 N/A ASN 629.A N HIS 669.A O no hydrogen 2.880 N/A ASN 629.A ND2 THR 615.A OG1 no hydrogen 3.032 N/A ASN 629.A ND2 GLN 617.A OE1 no hydrogen 3.048 N/A PHE 630.A N ALA 616.A O no hydrogen 2.782 N/A ARG 631.A NE ASN 629.A OD1 no hydrogen 2.938 N/A ARG 631.A NH2 ARG 671.A O no hydrogen 2.895 N/A HIS 633.A ND1 ASP 656.A OD2 no hydrogen 3.212 N/A HIS 633.A NE2 SER 652.A OG no hydrogen 2.736 N/A ARG 634.A N ASP 656.A OD2 no hydrogen 3.003 N/A ARG 634.A NH1 GLU 56.A OE2 no hydrogen 3.337 N/A ARG 636.A N ASP 655.A OD1 no hydrogen 2.745 N/A ARG 636.A NE ASP 655.A OD2 no hydrogen 2.737 N/A ARG 636.A NH2 ASP 655.A OD2 no hydrogen 2.944 N/A LEU 637.A N SER 611.A O no hydrogen 3.206 N/A LEU 638.A N GLY 653.A O no hydrogen 2.763 N/A CYS 639.A N GLY 653.A O no hydrogen 3.248 N/A CYS 639.A SG ALA 340.A O no hydrogen 3.390 N/A CYS 639.A SG GLY 653.A O no hydrogen 3.800 N/A ALA 641.A N TYR 651.A O no hydrogen 2.743 N/A TRP 642.A NE1 PRO 647.A O no hydrogen 3.067 N/A SER 643.A N CYS 649.A O no hydrogen 2.869 N/A SER 643.A OG ASP 646.A O no hydrogen 3.554 N/A LEU 645.A N SER 643.A OG no hydrogen 3.293 N/A ASP 646.A N SER 643.A OG no hydrogen 2.921 N/A ASP 648.A N ASP 646.A OD1 no hydrogen 2.915 N/A CYS 649.A N ASP 646.A O no hydrogen 3.196 N/A ILE 650.A N TRP 662.A O no hydrogen 2.938 N/A TYR 651.A N ALA 641.A O no hydrogen 2.706 N/A SER 652.A N HIS 660.A O no hydrogen 2.946 N/A SER 652.A OG HIS 633.A NE2 no hydrogen 2.736 N/A GLY 653.A N CYS 639.A O no hydrogen 2.997 N/A ALA 654.A N CYS 658.A O no hydrogen 3.241 N/A ASP 655.A N ARG 636.A O no hydrogen 3.146 N/A CYS 658.A N ASP 656.A OD1 no hydrogen 3.155 N/A CYS 658.A SG ASP 656.A O no hydrogen 3.558 N/A VAL 659.A N LEU 5.A O no hydrogen 3.152 N/A HIS 660.A N SER 652.A O no hydrogen 2.897 N/A HIS 660.A ND1 THR 4.A OG1 no hydrogen 2.835 N/A LYS 661.A N ARG 3.A O no hydrogen 2.747 N/A TRP 662.A N ILE 650.A O no hydrogen 2.915 N/A TRP 662.A NE1 SER 652.A OG no hydrogen 2.980 N/A THR 664.A N ASP 648.A O no hydrogen 2.926 N/A THR 664.A OG1 ASP 648.A OD1 no hydrogen 2.346 N/A SER 665.A N ASP 648.A OD1 no hydrogen 2.943 N/A SER 665.A OG ASP 648.A OD1 no hydrogen 3.490 N/A SER 665.A OG ASP 648.A OD2 no hydrogen 2.701 N/A MET 666.A N LEU 663.A O no hydrogen 3.209 N/A GLN 667.A N THR 664.A O no hydrogen 3.450 N/A GLN 667.A NE2 LEU 663.A O no hydrogen 2.786 N/A GLN 674.A NE2 GLY 589.A O no hydrogen 3.151 N/A