Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ggu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NH1 ARG 4.A O no hydrogen 3.148 N/A ASN 10.A ND2 ILE 86.A O no hydrogen 3.364 N/A ASN 13.A N ASP 224.A OD1 no hydrogen 2.903 N/A ASN 13.A ND2 ASN 13.A O no hydrogen 2.592 N/A ASN 13.A ND2 LYS 137.A O no hydrogen 2.870 N/A ALA 14.A N ASP 224.A OD2 no hydrogen 3.067 N/A ALA 15.A N SER 12.A OG no hydrogen 3.408 N/A GLU 23.A N VAL 150.A O no hydrogen 2.869 N/A ASN 27.A N SER 70.A OG no hydrogen 3.216 N/A THR 29.A N ASP 68.A O no hydrogen 2.827 N/A THR 29.A OG1 ASP 68.A O no hydrogen 3.314 N/A HIS 32.A N GLN 66.A O no hydrogen 2.787 N/A LYS 35.A NZ ASN 53.A O no hydrogen 2.601 N/A LYS 35.A NZ GLU 158.A OE1 no hydrogen 3.058 N/A ARG 37.A NE ASP 48.A O no hydrogen 2.782 N/A ARG 37.A NH1 GLU 51.A OE1 no hydrogen 3.134 N/A ARG 37.A NH1 GLU 51.A OE2 no hydrogen 3.331 N/A ARG 37.A NH2 ASP 48.A O no hydrogen 3.026 N/A ARG 37.A NH2 GLU 51.A OE2 no hydrogen 2.929 N/A ASP 39.A N GLU 36.A O no hydrogen 3.140 N/A THR 40.A N ASP 39.A OD1 no hydrogen 2.963 N/A THR 40.A OG1 ASP 39.A OD1 no hydrogen 3.480 N/A ASN 41.A ND2 PHE 34.A O no hydrogen 3.159 N/A ASN 41.A ND2 TYR 64.A O no hydrogen 2.962 N/A LYS 42.A NZ LYS 54.A O no hydrogen 2.560 N/A VAL 43.A N ASP 39.A O no hydrogen 3.172 N/A ASP 44.A N THR 40.A O no hydrogen 2.884 N/A HIS 45.A N ASN 41.A O no hydrogen 2.834 N/A HIS 45.A NE2 SER 62.A O no hydrogen 2.571 N/A HIS 46.A N VAL 43.A O no hydrogen 3.132 N/A THR 47.A N LYS 42.A O no hydrogen 2.633 N/A THR 47.A OG1 LYS 42.A O no hydrogen 3.472 N/A THR 47.A OG1 ILE 56.A O no hydrogen 2.658 N/A ASP 48.A N ASP 48.A OD1 no hydrogen 2.606 N/A TYR 50.A OH CYS 308.A O no hydrogen 2.564 N/A GLU 51.A N PHE 211.A O no hydrogen 3.069 N/A ASN 52.A ND2 TYR 162.A OH no hydrogen 3.507 N/A LYS 54.A N ASN 52.A OD1 no hydrogen 3.016 N/A LYS 54.A NZ ASN 53.A OD1 no hydrogen 3.213 N/A LYS 54.A NZ GLU 158.A OE2 no hydrogen 3.337 N/A VAL 57.A N TYR 162.A O no hydrogen 2.857 N/A ARG 58.A N HIS 45.A ND1 no hydrogen 3.243 N/A ARG 58.A NE HIS 45.A O no hydrogen 2.723 N/A ARG 58.A NH1 PHE 165.A O no hydrogen 2.889 N/A ARG 58.A NH2 HIS 46.A O no hydrogen 3.213 N/A ARG 59.A N LEU 164.A O no hydrogen 2.996 N/A ARG 59.A NE ASP 172.A OD1 no hydrogen 3.443 N/A ARG 59.A NE ASP 172.A OD2 no hydrogen 2.750 N/A ARG 59.A NH1 CYS 133.A O no hydrogen 2.636 N/A ARG 59.A NH1 GLY 234.A O no hydrogen 2.769 N/A ARG 59.A NH2 ASP 172.A OD1 no hydrogen 2.932 N/A ARG 59.A NH2 GLY 234.A O no hydrogen 3.322 N/A GLY 60.A N SER 129.A O no hydrogen 3.141 N/A GLY 60.A N SER 129.A OG no hydrogen 2.923 N/A PHE 63.A N ILE 127.A O no hydrogen 2.858 N/A TYR 64.A N ASN 41.A OD1 no hydrogen 2.913 N/A VAL 65.A N LEU 125.A O no hydrogen 3.038 N/A GLN 66.A N HIS 32.A O no hydrogen 2.724 N/A GLN 66.A NE2 ASP 68.A OD1 no hydrogen 3.164 N/A ILE 67.A N VAL 123.A O no hydrogen 2.715 N/A ASP 68.A N SER 30.A O no hydrogen 3.028 N/A PHE 69.A N ARG 121.A O no hydrogen 2.823 N/A SER 70.A N ASN 27.A O no hydrogen 2.812 N/A SER 70.A OG ASN 27.A O no hydrogen 3.445 N/A ARG 71.A NE GLU 24.A O no hydrogen 3.269 N/A ARG 71.A NH1 ASP 78.A OD2 no hydrogen 3.260 N/A ARG 71.A NH2 GLU 24.A O no hydrogen 3.038 N/A ARG 71.A NH2 ASP 78.A OD1 no hydrogen 3.094 N/A ASP 74.A N ASP 78.A OD2 no hydrogen 3.131 N/A ARG 77.A N ASP 74.A O no hydrogen 3.228 N/A ARG 81.A N ALA 143.A O no hydrogen 2.955 N/A GLU 83.A N TYR 141.A O no hydrogen 2.800 N/A TYR 84.A N ILE 98.A O no hydrogen 2.826 N/A VAL 85.A N ARG 139.A O no hydrogen 2.891 N/A ILE 86.A N THR 96.A O no hydrogen 2.978 N/A ARG 88.A NH1 ARG 88.A O no hydrogen 2.919 N/A TYR 89.A N ASN 10.A OD1 no hydrogen 3.095 N/A GLN 91.A N THR 96.A OG1 no hydrogen 2.839 N/A LYS 94.A N GLN 91.A O no hydrogen 3.069 N/A GLY 95.A N GLU 92.A O no hydrogen 3.020 N/A THR 96.A N GLN 91.A O no hydrogen 3.298 N/A THR 96.A OG1 GLN 91.A O no hydrogen 3.384 N/A TYR 97.A OH GLU 83.A OE2 no hydrogen 2.711 N/A ILE 98.A N TYR 84.A O no hydrogen 2.842 N/A VAL 100.A N VAL 82.A O no hydrogen 2.764 N/A VAL 103.A N ALA 113.A O no hydrogen 2.911 N/A SER 108.A OG ASP 171.A OD2 no hydrogen 3.396 N/A LYS 110.A N GLN 107.A O no hydrogen 3.426 N/A GLY 112.A N GLN 128.A O no hydrogen 2.854 N/A ALA 113.A N PRO 101.A O no hydrogen 2.989 N/A LYS 114.A N SER 126.A O no hydrogen 2.906 N/A LYS 114.A NZ GLU 105.A OE2 no hydrogen 3.133 N/A VAL 116.A N ARG 124.A O no hydrogen 2.921 N/A MET 117.A N ARG 124.A O no hydrogen 3.202 N/A ARG 118.A NH2 TYR 73.A O no hydrogen 3.229 N/A GLU 119.A N SER 122.A O no hydrogen 2.955 N/A ARG 121.A NE ASP 120.A OD2 no hydrogen 3.351 N/A SER 122.A N GLU 119.A O no hydrogen 2.982 N/A SER 122.A OG ASP 68.A OD1 no hydrogen 3.309 N/A VAL 123.A N ILE 67.A O no hydrogen 2.684 N/A ARG 124.A N MET 117.A O no hydrogen 2.664 N/A LEU 125.A N VAL 65.A O no hydrogen 2.829 N/A SER 126.A N LYS 114.A O no hydrogen 3.131 N/A ILE 127.A N PHE 63.A O no hydrogen 2.894 N/A GLN 128.A N GLY 112.A O no hydrogen 2.699 N/A LYS 132.A N SER 130.A OG no hydrogen 3.271 N/A CYS 133.A N SER 130.A O no hydrogen 3.309 N/A CYS 133.A SG ILE 134.A O no hydrogen 3.374 N/A GLY 136.A N ILE 163.A O no hydrogen 3.407 N/A LYS 137.A N ASN 13.A OD1 no hydrogen 2.669 N/A PHE 138.A N THR 161.A O no hydrogen 2.704 N/A ARG 139.A N VAL 85.A O no hydrogen 2.871 N/A ARG 139.A NE TYR 141.A OH no hydrogen 3.440 N/A ARG 139.A NH1 ASP 17.A OD1 no hydrogen 3.155 N/A ARG 139.A NH1 GLY 87.A O no hydrogen 3.051 N/A ARG 139.A NH2 ASP 17.A OD1 no hydrogen 2.722 N/A ARG 139.A NH2 TYR 141.A OH no hydrogen 3.308 N/A TYR 141.A N GLU 83.A O no hydrogen 2.752 N/A VAL 142.A N THR 153.A OG1 no hydrogen 2.878 N/A ALA 143.A N ARG 81.A O no hydrogen 2.749 N/A VAL 144.A N LEU 151.A O no hydrogen 2.417 N/A TRP 145.A N LEU 79.A O no hydrogen 2.897 N/A THR 146.A N GLY 149.A O no hydrogen 3.115 N/A THR 146.A OG1 GLY 149.A O no hydrogen 3.019 N/A LEU 151.A N VAL 144.A O no hydrogen 2.812 N/A ARG 152.A N THR 21.A O no hydrogen 3.266 N/A ARG 152.A NE GLU 83.A OE1 no hydrogen 2.731 N/A ARG 152.A NE GLU 83.A OE2 no hydrogen 3.355 N/A ARG 152.A NH1 PRO 20.A O no hydrogen 3.107 N/A ARG 152.A NH2 GLU 83.A OE2 no hydrogen 2.802 N/A THR 153.A N VAL 142.A O no hydrogen 2.809 N/A THR 153.A OG1 VAL 142.A O no hydrogen 3.514 N/A ARG 155.A NH2 ASP 160.A OD2 no hydrogen 3.135 N/A GLU 158.A N ASN 156.A OD1 no hydrogen 3.225 N/A THR 159.A N ASN 156.A O no hydrogen 3.236 N/A THR 159.A OG1 ASN 156.A O no hydrogen 2.674 N/A ASP 160.A N PRO 157.A O no hydrogen 3.196 N/A THR 161.A N PHE 138.A O no hydrogen 2.882 N/A THR 161.A OG1 THR 159.A O no hydrogen 2.957 N/A TYR 162.A N LEU 55.A O no hydrogen 3.231 N/A TYR 162.A OH ASP 217.A OD1 no hydrogen 2.647 N/A ILE 163.A N GLY 136.A O no hydrogen 3.155 N/A LEU 164.A N VAL 57.A O no hydrogen 2.825 N/A PHE 165.A N LEU 309.A O no hydrogen 2.916 N/A ASN 166.A N ASP 172.A OD2 no hydrogen 2.948 N/A ASN 166.A ND2 ARG 59.A O no hydrogen 2.944 N/A TRP 168.A N ASN 166.A OD1 no hydrogen 3.342 N/A TRP 168.A NE1 GLU 179.A OE1 no hydrogen 2.952 N/A CYS 169.A N ASN 166.A O no hydrogen 3.056 N/A ASP 172.A N CYS 169.A O no hydrogen 3.176 N/A VAL 174.A N ASP 172.A OD1 no hydrogen 3.035 N/A TYR 175.A N ASP 172.A O no hydrogen 3.269 N/A LEU 176.A N PRO 167.A O no hydrogen 2.798 N/A ASN 178.A N LEU 176.A O no hydrogen 2.839 N/A GLU 181.A N ASN 178.A OD1 no hydrogen 2.734 N/A ARG 182.A N ASN 178.A O no hydrogen 3.055 N/A ARG 182.A NE LEU 176.A O no hydrogen 2.889 N/A GLU 183.A N GLU 179.A O no hydrogen 3.133 N/A GLU 184.A N LYS 180.A O no hydrogen 3.219 N/A TYR 185.A N GLU 181.A O no hydrogen 2.851 N/A VAL 186.A N ARG 182.A O no hydrogen 2.992 N/A LEU 187.A N ARG 182.A O no hydrogen 3.225 N/A ASN 188.A ND2 GLU 184.A OE1 no hydrogen 2.778 N/A ASN 188.A ND2 GLU 184.A OE2 no hydrogen 3.447 N/A ILE 190.A N ASN 188.A OD1 no hydrogen 3.257 N/A GLY 191.A N TRP 206.A O no hydrogen 2.659 N/A ILE 193.A N ARG 204.A O no hydrogen 3.048 N/A TYR 195.A N LYS 202.A O no hydrogen 3.116 N/A GLU 197.A N ASP 200.A O no hydrogen 3.045 N/A ASN 199.A N GLU 197.A OE1 no hydrogen 2.972 N/A ASP 200.A N GLU 197.A O no hydrogen 2.830 N/A LYS 202.A N TYR 195.A O no hydrogen 3.240 N/A LYS 202.A NZ ASP 200.A OD1 no hydrogen 3.164 N/A LYS 202.A NZ ASP 200.A OD2 no hydrogen 3.191 N/A LYS 202.A NZ THR 602.A OG1 no hydrogen 3.129 N/A ARG 204.A N ILE 193.A O no hydrogen 3.250 N/A ARG 204.A NH1 SER 205.A O no hydrogen 3.547 N/A ARG 204.A NH1 TRP 273.A O no hydrogen 2.879 N/A ARG 204.A NH2 TRP 273.A O no hydrogen 3.043 N/A SER 205.A OG GLU 694.A OE1 no hydrogen 2.785 N/A TRP 206.A N GLY 191.A O no hydrogen 2.840 N/A TRP 206.A NE1 SER 276.A OG no hydrogen 2.905 N/A SER 207.A N THR 274.A O no hydrogen 2.943 N/A TYR 208.A N ASP 189.A O no hydrogen 3.149 N/A GLY 209.A N ASP 189.A O no hydrogen 3.244 N/A GLN 210.A N GLN 210.A OE1 no hydrogen 2.729 N/A GLN 210.A NE2 VAL 186.A O no hydrogen 3.158 N/A GLN 210.A NE2 ASN 188.A O no hydrogen 3.064 N/A GLU 212.A N GLY 209.A O no hydrogen 2.796 N/A ILE 215.A N GLU 212.A O no hydrogen 3.272 N/A THR 218.A N GLY 214.A O no hydrogen 3.040 N/A THR 218.A OG1 GLY 214.A O no hydrogen 2.686 N/A CYS 219.A N ILE 215.A O no hydrogen 2.913 N/A CYS 219.A SG ILE 215.A O no hydrogen 3.583 N/A LEU 220.A N LEU 216.A O no hydrogen 3.144 N/A TYR 221.A N ASP 217.A O no hydrogen 2.971 N/A TYR 221.A OH GLU 287.A OE1 no hydrogen 2.867 N/A VAL 222.A N THR 218.A O no hydrogen 2.782 N/A MET 223.A N CYS 219.A O no hydrogen 3.468 N/A ASP 224.A N LEU 220.A O no hydrogen 2.960 N/A ARG 225.A N TYR 221.A O no hydrogen 2.894 N/A ARG 225.A NE TYR 221.A OH no hydrogen 3.035 N/A ARG 225.A NH1 GLU 253.A OE1 no hydrogen 3.496 N/A ALA 226.A N VAL 222.A O no hydrogen 3.138 N/A GLN 227.A N ASP 224.A O no hydrogen 2.978 N/A MET 228.A N MET 223.A O no hydrogen 2.912 N/A LEU 230.A N ASN 10.A O no hydrogen 2.948 N/A SER 231.A OG LYS 94.A O no hydrogen 3.211 N/A GLY 232.A N ASP 229.A O no hydrogen 2.845 N/A ARG 233.A N LEU 230.A O no hydrogen 2.860 N/A ARG 233.A NE MET 228.A O no hydrogen 3.273 N/A ARG 233.A NH1 ASP 224.A OD1 no hydrogen 2.887 N/A ARG 233.A NH2 ASP 224.A OD1 no hydrogen 2.729 N/A ARG 233.A NH2 MET 228.A O no hydrogen 2.942 N/A ASN 235.A N GLY 232.A O no hydrogen 3.204 N/A ILE 237.A N ASN 235.A OD1 no hydrogen 3.231 N/A VAL 239.A N ASN 235.A O no hydrogen 2.901 N/A SER 240.A N PRO 236.A O no hydrogen 2.825 N/A SER 240.A OG PRO 236.A O no hydrogen 2.740 N/A ARG 241.A N ILE 237.A O no hydrogen 2.807 N/A ARG 241.A NH1 GLY 391.A O no hydrogen 2.741 N/A ARG 241.A NH1 ASP 408.A OD2 no hydrogen 2.690 N/A VAL 242.A N LYS 238.A O no hydrogen 2.764 N/A GLY 243.A N VAL 239.A O no hydrogen 2.804 N/A SER 244.A N SER 240.A O no hydrogen 2.970 N/A SER 244.A OG SER 240.A O no hydrogen 2.549 N/A SER 244.A OG ARG 241.A O no hydrogen 3.333 N/A MET 246.A N GLY 243.A O no hydrogen 3.062 N/A VAL 247.A N SER 244.A O no hydrogen 3.182 N/A ALA 249.A N LEU 256.A O no hydrogen 2.751 N/A VAL 255.A N MET 246.A O no hydrogen 2.670 N/A LEU 256.A N VAL 247.A O no hydrogen 2.717 N/A VAL 257.A N VAL 290.A O no hydrogen 3.186 N/A SER 259.A N GLY 293.A O no hydrogen 3.401 N/A SER 259.A OG ASP 261.A OD1 no hydrogen 2.912 N/A TRP 260.A NE1 TYR 534.A OH no hydrogen 2.949 N/A ASN 262.A N TYR 264.A OH no hydrogen 3.186 N/A ILE 263.A N ASP 261.A O no hydrogen 2.647 N/A TYR 264.A N ASP 261.A OD1 no hydrogen 3.205 N/A TYR 264.A OH GLU 574.A OE1 no hydrogen 3.037 N/A TYR 264.A OH GLU 574.A OE2 no hydrogen 2.826 N/A GLY 267.A N TYR 264.A O no hydrogen 3.232 N/A VAL 268.A N ARG 291.A O no hydrogen 3.027 N/A SER 271.A OG HIS 690.A ND1 no hydrogen 2.794 N/A ALA 272.A N PRO 269.A O no hydrogen 2.992 N/A TRP 273.A NE1 TYR 292.A O no hydrogen 2.637 N/A THR 274.A OG1 ASP 642.A OD2 no hydrogen 2.889 N/A SER 276.A N SER 207.A O no hydrogen 2.918 N/A SER 276.A OG GLY 300.A O no hydrogen 2.950 N/A SER 276.A OG THR 304.A OG1 no hydrogen 2.745 N/A LEU 280.A N SER 276.A O no hydrogen 2.962 N/A LEU 281.A N VAL 277.A O no hydrogen 3.052 N/A GLU 282.A N ASP 278.A O no hydrogen 2.620 N/A TYR 283.A N ILE 279.A O no hydrogen 2.805 N/A ARG 284.A N LEU 280.A O no hydrogen 2.869 N/A ARG 284.A NE ARG 284.A O no hydrogen 2.824 N/A SER 285.A N LEU 281.A O no hydrogen 2.713 N/A SER 286.A N GLU 282.A O no hydrogen 2.749 N/A SER 286.A OG GLU 282.A O no hydrogen 2.623 N/A SER 286.A OG TYR 283.A O no hydrogen 3.430 N/A SER 286.A OG ASN 288.A O no hydrogen 3.177 N/A GLU 287.A N TYR 283.A O no hydrogen 2.561 N/A ASN 288.A N SER 286.A OG no hydrogen 3.278 N/A VAL 290.A N VAL 255.A O no hydrogen 2.645 N/A TYR 292.A N VAL 268.A O no hydrogen 3.080 N/A GLY 293.A N VAL 257.A O no hydrogen 2.773 N/A GLN 294.A NE2 SER 259.A O no hydrogen 2.925 N/A CYS 295.A SG HIS 354.A ND1 no hydrogen 3.732 N/A CYS 295.A SG TYR 534.A OH no hydrogen 3.346 N/A PHE 298.A N GLN 294.A O no hydrogen 2.867 N/A ALA 299.A N CYS 295.A O no hydrogen 2.941 N/A GLY 300.A N TRP 296.A O no hydrogen 2.773 N/A VAL 301.A N VAL 297.A O no hydrogen 3.081 N/A PHE 302.A N PHE 298.A O no hydrogen 2.979 N/A ASN 303.A N ALA 299.A O no hydrogen 3.213 N/A ASN 303.A ND2 ALA 313.A O no hydrogen 3.273 N/A THR 304.A N GLY 300.A O no hydrogen 3.304 N/A THR 304.A OG1 TYR 208.A O no hydrogen 2.676 N/A THR 304.A OG1 SER 276.A OG no hydrogen 2.745 N/A THR 304.A OG1 GLY 300.A O no hydrogen 3.471 N/A PHE 305.A N VAL 301.A O no hydrogen 3.067 N/A LEU 306.A N PHE 302.A O no hydrogen 2.977 N/A ARG 307.A N ASN 303.A O no hydrogen 3.013 N/A ARG 307.A NE ALA 313.A O no hydrogen 2.912 N/A ARG 307.A NH1 ASN 188.A O no hydrogen 2.869 N/A ARG 307.A NH2 ALA 313.A O no hydrogen 2.692 N/A CYS 308.A N THR 304.A O no hydrogen 2.855 N/A CYS 308.A SG GLN 210.A O no hydrogen 3.453 N/A LEU 309.A N PHE 305.A O no hydrogen 3.070 N/A LEU 309.A N LEU 306.A O no hydrogen 3.238 N/A GLY 310.A N LEU 306.A O no hydrogen 2.974 N/A GLY 310.A N ARG 307.A O no hydrogen 2.959 N/A ILE 311.A N LEU 306.A O no hydrogen 2.816 N/A ALA 313.A N TYR 185.A O no hydrogen 3.143 N/A ARG 314.A N GLU 358.A O no hydrogen 2.995 N/A ARG 314.A NE GLU 358.A OE1 no hydrogen 2.668 N/A ARG 314.A NH1 TYR 185.A OH no hydrogen 3.012 N/A ARG 314.A NH2 GLU 358.A OE1 no hydrogen 2.846 N/A VAL 316.A N TRP 356.A O no hydrogen 2.851 N/A THR 317.A N VAL 446.A O no hydrogen 2.710 N/A THR 317.A OG1 PHE 194.A O no hydrogen 2.963 N/A ASN 318.A N HIS 354.A O no hydrogen 2.788 N/A ASN 318.A ND2 SER 321.A OG no hydrogen 2.932 N/A ASN 318.A ND2 GLU 415.A O no hydrogen 3.443 N/A TYR 319.A N LEU 444.A O no hydrogen 2.690 N/A TYR 319.A OH TYR 195.A O no hydrogen 2.601 N/A PHE 320.A N ASN 352.A O no hydrogen 3.060 N/A SER 321.A N TRP 351.A O no hydrogen 2.722 N/A SER 321.A OG GLU 415.A OE2 no hydrogen 2.976 N/A ALA 322.A N GLU 415.A O no hydrogen 3.104 N/A HIS 323.A N SER 321.A O no hydrogen 3.067 N/A HIS 323.A ND1 GLU 415.A OE1 no hydrogen 3.278 N/A HIS 323.A ND1 GLU 415.A OE2 no hydrogen 3.040 N/A HIS 323.A NE2 PRO 380.A O no hydrogen 2.871 N/A ASN 325.A ND2 ALA 322.A O no hydrogen 2.735 N/A ASN 325.A ND2 PHE 411.A O no hydrogen 2.846 N/A ALA 327.A N ASN 325.A OD1 no hydrogen 2.633 N/A ASN 328.A N ASN 325.A O no hydrogen 2.906 N/A LEU 329.A N LYS 484.A O no hydrogen 2.788 N/A GLN 330.A NE2 LEU 487.A O no hydrogen 2.888 N/A MET 331.A N ASP 419.A O no hydrogen 2.880 N/A ILE 333.A N ILE 421.A O no hydrogen 2.949 N/A PHE 334.A N THR 346.A OG1 no hydrogen 2.851 N/A LEU 335.A N ILE 423.A O no hydrogen 2.584 N/A GLU 336.A N ASN 340.A O no hydrogen 2.786 N/A GLY 339.A N GLU 336.A O no hydrogen 2.992 N/A ASN 340.A ND2 GLU 336.A OE2 no hydrogen 3.428 N/A ASN 340.A ND2 VAL 341.A O no hydrogen 3.543 N/A ASN 342.A N PHE 334.A O no hydrogen 2.643 N/A LYS 344.A N ASN 342.A OD1 no hydrogen 2.685 N/A LEU 345.A N ASN 342.A OD1 no hydrogen 3.063 N/A THR 346.A N ASN 342.A O no hydrogen 3.095 N/A THR 346.A OG1 PHE 334.A O no hydrogen 3.532 N/A THR 346.A OG1 ASN 342.A O no hydrogen 2.700 N/A TRP 351.A N SER 321.A O no hydrogen 2.904 N/A ASN 352.A N TYR 534.A O no hydrogen 2.873 N/A TYR 353.A OH GLN 575.A OE1 no hydrogen 2.742 N/A HIS 354.A N ASN 318.A O no hydrogen 2.872 N/A HIS 354.A NE2 ASP 377.A OD2 no hydrogen 2.568 N/A CYS 355.A SG THR 317.A OG1 no hydrogen 3.118 N/A TRP 356.A N VAL 316.A O no hydrogen 2.962 N/A TRP 356.A NE1 TYR 462.A OH no hydrogen 2.850 N/A ASN 357.A N VAL 376.A O no hydrogen 2.907 N/A ASN 357.A ND2 ALA 299.A O no hydrogen 3.165 N/A ASN 357.A ND2 ASN 303.A OD1 no hydrogen 2.667 N/A GLU 358.A N ARG 314.A O no hydrogen 2.779 N/A ALA 359.A N GLN 374.A O no hydrogen 3.054 N/A TRP 360.A N PRO 312.A O no hydrogen 2.857 N/A TRP 360.A NE1 TYR 175.A O no hydrogen 3.001 N/A MET 361.A N GLY 372.A O no hydrogen 2.995 N/A ARG 363.A NE GLN 374.A OE1 no hydrogen 3.201 N/A ARG 363.A NH1 ASP 365.A OD1 no hydrogen 3.417 N/A ARG 363.A NH2 GLN 406.A O no hydrogen 2.387 N/A LEU 366.A N ARG 363.A O no hydrogen 2.878 N/A GLY 372.A N MET 361.A O no hydrogen 2.877 N/A GLN 374.A N ALA 359.A O no hydrogen 2.816 N/A GLN 374.A NE2 MET 361.A O no hydrogen 3.301 N/A GLN 374.A NE2 PHE 370.A O no hydrogen 3.072 N/A GLN 374.A NE2 GLY 372.A O no hydrogen 2.913 N/A ALA 375.A N ALA 393.A O no hydrogen 2.560 N/A VAL 376.A N ASN 357.A O no hydrogen 3.095 N/A ASP 377.A N CYS 390.A O no hydrogen 2.863 N/A THR 379.A N ASP 377.A OD1 no hydrogen 2.952 N/A THR 379.A OG1 ASP 377.A OD1 no hydrogen 3.273 N/A GLN 381.A N TYR 388.A O no hydrogen 3.228 N/A GLN 381.A NE2 GLU 415.A OE1 no hydrogen 3.194 N/A ASN 383.A N GLY 386.A O no hydrogen 3.070 N/A ASN 383.A ND2 ARG 389.A O no hydrogen 3.300 N/A SER 384.A OG ASP 385.A OD1 no hydrogen 3.001 N/A ASP 385.A N ASN 383.A OD1 no hydrogen 2.730 N/A GLY 386.A N ASN 383.A OD1 no hydrogen 3.010 N/A ARG 389.A NE ARG 241.A O no hydrogen 2.945 N/A ARG 389.A NH1 ARG 389.A O no hydrogen 2.886 N/A CYS 390.A N ASP 377.A O no hydrogen 2.830 N/A CYS 390.A SG TYR 388.A O no hydrogen 4.025 N/A GLY 391.A N ASP 408.A OD2 no hydrogen 2.852 N/A ALA 393.A N ALA 375.A O no hydrogen 2.819 N/A SER 394.A OG PHE 370.A O no hydrogen 2.875 N/A VAL 395.A N TRP 373.A O no hydrogen 3.022 N/A GLN 396.A N SER 394.A OG no hydrogen 3.092 N/A GLN 396.A NE2 GLY 369.A O no hydrogen 3.449 N/A ALA 397.A N SER 394.A OG no hydrogen 3.156 N/A ILE 398.A N SER 394.A O no hydrogen 2.941 N/A LYS 399.A N VAL 395.A O no hydrogen 2.916 N/A LYS 399.A NZ ASP 460.A O no hydrogen 2.603 N/A HIS 400.A N GLN 396.A O no hydrogen 3.185 N/A HIS 400.A N ALA 397.A O no hydrogen 3.063 N/A HIS 400.A ND1 GLN 396.A O no hydrogen 2.825 N/A GLY 401.A N ILE 398.A O no hydrogen 3.389 N/A HIS 402.A N ALA 397.A O no hydrogen 2.929 N/A VAL 403.A N GLY 401.A O no hydrogen 2.792 N/A GLN 406.A NE2 ASP 365.A OD2 no hydrogen 3.237 N/A PHE 407.A N PRO 392.A O no hydrogen 2.690 N/A PHE 411.A N ASP 408.A O no hydrogen 3.125 N/A PHE 413.A N ALA 409.A O no hydrogen 2.850 N/A ALA 414.A N PRO 410.A O no hydrogen 3.058 N/A GLU 415.A N VAL 412.A O no hydrogen 3.093 N/A VAL 416.A N PHE 413.A O no hydrogen 3.375 N/A ASN 417.A N PHE 413.A O no hydrogen 2.804 N/A ASN 417.A ND2 PHE 413.A O no hydrogen 2.955 N/A SER 418.A OG ASN 328.A O no hydrogen 3.565 N/A SER 418.A OG ALA 414.A O no hydrogen 2.726 N/A ASP 419.A N LEU 329.A O no hydrogen 2.956 N/A LEU 420.A N ASP 437.A O no hydrogen 2.921 N/A ILE 421.A N MET 331.A O no hydrogen 2.695 N/A TYR 422.A N ASN 435.A O no hydrogen 2.652 N/A TYR 422.A OH GLN 596.A OE1 no hydrogen 3.047 N/A ILE 423.A N ILE 333.A O no hydrogen 2.825 N/A THR 424.A N VAL 432.A O no hydrogen 2.628 N/A THR 424.A OG1 GLU 434.A OE2 no hydrogen 2.663 N/A ALA 425.A N LEU 335.A O no hydrogen 2.906 N/A LYS 426.A N THR 430.A O no hydrogen 2.899 N/A LYS 426.A NZ THR 430.A OG1 no hydrogen 2.857 N/A LYS 427.A N GLU 337.A OE2 no hydrogen 2.789 N/A GLY 429.A N LYS 426.A O no hydrogen 3.195 N/A THR 430.A N ASP 428.A OD1 no hydrogen 3.354 N/A THR 430.A OG1 ASP 428.A OD1 no hydrogen 2.497 N/A THR 430.A OG1 ASP 428.A OD2 no hydrogen 3.143 N/A HIS 431.A ND1 THR 430.A O no hydrogen 2.905 N/A VAL 432.A N THR 424.A O no hydrogen 2.764 N/A GLU 434.A N TYR 422.A O no hydrogen 2.646 N/A ASN 435.A N TYR 422.A O no hydrogen 3.206 N/A ASP 437.A N LEU 420.A O no hydrogen 2.859 N/A THR 439.A N ASP 437.A OD1 no hydrogen 3.006 N/A THR 439.A OG1 ASP 437.A OD1 no hydrogen 3.133 N/A GLY 442.A N PHE 320.A O no hydrogen 3.006 N/A LYS 443.A N TYR 319.A O no hydrogen 3.109 N/A ILE 445.A N THR 459.A OG1 no hydrogen 2.955 N/A VAL 446.A N THR 317.A O no hydrogen 2.712 N/A THR 447.A N MET 456.A O no hydrogen 3.133 N/A THR 447.A OG1 ILE 315.A O no hydrogen 2.429 N/A LYS 448.A NZ GLU 184.A OE1 no hydrogen 2.944 N/A LYS 448.A NZ GLU 184.A OE2 no hydrogen 3.222 N/A LYS 448.A NZ GLN 449.A O no hydrogen 3.056 N/A LYS 448.A NZ GLY 452.A O no hydrogen 2.630 N/A GLN 449.A N GLY 454.A O no hydrogen 3.036 N/A GLY 454.A N GLN 449.A OE1 no hydrogen 2.650 N/A MET 456.A N THR 447.A O no hydrogen 2.888 N/A ILE 458.A N ILE 445.A O no hydrogen 2.845 N/A THR 459.A N ASP 457.A OD1 no hydrogen 3.370 N/A THR 459.A OG1 ASP 457.A OD1 no hydrogen 2.706 N/A THR 461.A N ILE 458.A O no hydrogen 3.046 N/A THR 461.A OG1 ILE 458.A O no hydrogen 2.556 N/A TYR 462.A N THR 459.A O no hydrogen 3.306 N/A TYR 462.A OH GLU 358.A OE2 no hydrogen 2.526 N/A LYS 463.A NZ VAL 416.A O no hydrogen 3.290 N/A LYS 463.A NZ GLY 442.A O no hydrogen 3.126 N/A GLY 467.A N GLU 471.A OE1 no hydrogen 3.370 N/A GLN 468.A NE2 GLU 470.A OE1 no hydrogen 3.486 N/A GLU 469.A N GLN 468.A OE1 no hydrogen 3.197 N/A ARG 472.A N GLN 468.A O no hydrogen 3.264 N/A ARG 472.A NH2 GLU 476.A OE1 no hydrogen 3.082 N/A LEU 473.A N GLU 469.A O no hydrogen 2.549 N/A ALA 474.A N GLU 470.A O no hydrogen 2.936 N/A LEU 475.A N GLU 471.A O no hydrogen 3.046 N/A GLU 476.A N ARG 472.A O no hydrogen 3.090 N/A THR 477.A N LEU 473.A O no hydrogen 3.091 N/A THR 477.A OG1 LEU 473.A O no hydrogen 3.048 N/A ALA 478.A N ALA 474.A O no hydrogen 3.015 N/A LEU 479.A N LEU 475.A O no hydrogen 3.070 N/A MET 480.A N THR 477.A O no hydrogen 2.740 N/A TYR 481.A N ALA 478.A O no hydrogen 2.866 N/A ALA 483.A N ALA 478.A O no hydrogen 3.158 N/A LYS 484.A N ALA 327.A O no hydrogen 3.041 N/A LEU 487.A N GLN 330.A OE1 no hydrogen 3.245 N/A SER 490.A OG THR 589.A OG1 no hydrogen 3.013 N/A SER 490.A OG ASP 591.A OD2 no hydrogen 3.067 N/A ASP 493.A N ARG 514.A O no hydrogen 2.736 N/A ASP 495.A N THR 512.A O no hydrogen 3.094 N/A GLU 497.A N SER 510.A O no hydrogen 2.882 N/A LEU 503.A N THR 602.A O no hydrogen 3.154 N/A LYS 505.A N VAL 502.A O no hydrogen 2.869 N/A PHE 507.A N ILE 563.A O no hydrogen 2.899 N/A SER 510.A N GLU 497.A O no hydrogen 2.792 N/A ILE 511.A N GLU 559.A O no hydrogen 2.905 N/A THR 512.A N ASP 495.A O no hydrogen 2.854 N/A PHE 513.A N LYS 557.A O no hydrogen 2.514 N/A ARG 514.A N ASP 493.A O no hydrogen 2.863 N/A ASN 515.A N SER 555.A O no hydrogen 2.890 N/A ASN 515.A ND2 SER 517.A O no hydrogen 3.229 N/A ASN 515.A ND2 ASN 519.A O no hydrogen 3.516 N/A ASN 515.A ND2 GLU 552.A O no hydrogen 2.732 N/A ASN 516.A N ASN 491.A O no hydrogen 3.122 N/A ASN 516.A ND2 ASN 491.A O no hydrogen 2.907 N/A SER 517.A OG ASN 515.A OD1 no hydrogen 2.666 N/A SER 517.A OG ASN 519.A OD1 no hydrogen 2.776 N/A TYR 521.A N LEU 551.A O no hydrogen 3.008 N/A THR 522.A N GLU 588.A OE1 no hydrogen 3.124 N/A THR 522.A OG1 GLU 588.A OE1 no hydrogen 3.405 N/A THR 522.A OG1 GLU 588.A OE2 no hydrogen 3.166 N/A ILE 523.A N VAL 549.A O no hydrogen 2.817 N/A THR 524.A N ARG 585.A O no hydrogen 3.163 N/A ALA 525.A N PHE 547.A O no hydrogen 2.747 N/A TYR 526.A N THR 583.A O no hydrogen 2.645 N/A TYR 526.A OH ASP 338.A O no hydrogen 3.353 N/A LEU 527.A N GLU 545.A O no hydrogen 2.814 N/A SER 528.A N PHE 581.A O no hydrogen 2.919 N/A SER 528.A OG GLU 541.A OE2 no hydrogen 2.777 N/A ALA 529.A N LYS 543.A O no hydrogen 2.911 N/A ASN 530.A N HIS 579.A O no hydrogen 2.825 N/A ASN 530.A ND2 SER 528.A OG no hydrogen 3.241 N/A ILE 531.A N ALA 540.A O no hydrogen 2.790 N/A THR 532.A N SER 577.A O no hydrogen 3.283 N/A THR 532.A OG1 PHE 533.A O no hydrogen 3.096 N/A PHE 533.A N VAL 537.A O no hydrogen 2.838 N/A GLY 536.A N PHE 533.A O no hydrogen 2.970 N/A LYS 539.A N ILE 531.A O no hydrogen 2.704 N/A PHE 542.A N ALA 529.A O no hydrogen 3.155 N/A LYS 543.A N ALA 529.A O no hydrogen 3.523 N/A LYS 543.A NZ GLU 567.A OE1 no hydrogen 3.001 N/A LYS 543.A NZ GLU 567.A OE2 no hydrogen 3.205 N/A GLU 545.A N LEU 527.A O no hydrogen 3.152 N/A PHE 547.A N ALA 525.A O no hydrogen 2.709 N/A VAL 549.A N ILE 523.A O no hydrogen 3.291 N/A GLU 552.A N SER 555.A OG no hydrogen 3.256 N/A LEU 554.A N SER 517.A O no hydrogen 3.362 N/A SER 555.A N GLU 552.A O no hydrogen 3.140 N/A SER 555.A OG GLU 552.A O no hydrogen 2.431 N/A LYS 557.A N PHE 513.A O no hydrogen 2.661 N/A LYS 557.A NZ THR 550.A O no hydrogen 2.977 N/A GLU 559.A N ILE 511.A O no hydrogen 2.715 N/A VAL 561.A N LEU 509.A O no hydrogen 3.021 N/A ILE 563.A N PHE 507.A O no hydrogen 2.765 N/A GLN 564.A N GLU 567.A OE2 no hydrogen 3.042 N/A ALA 565.A N ASP 506.A OD1 no hydrogen 3.116 N/A GLU 567.A N GLN 564.A O no hydrogen 2.782 N/A TYR 568.A N ALA 565.A O no hydrogen 3.278 N/A TYR 568.A OH LYS 505.A O no hydrogen 2.610 N/A MET 569.A N ALA 565.A O no hydrogen 2.858 N/A GLN 571.A N TYR 568.A O no hydrogen 2.786 N/A LEU 572.A N TYR 568.A O no hydrogen 3.321 N/A GLU 574.A N ASN 262.A OD1 no hydrogen 3.503 N/A ALA 576.A N LEU 573.A O no hydrogen 2.732 N/A LEU 578.A N THR 599.A O no hydrogen 2.793 N/A HIS 579.A N ASN 530.A O no hydrogen 2.796 N/A PHE 580.A N LYS 597.A O no hydrogen 2.874 N/A PHE 581.A N SER 528.A O no hydrogen 2.897 N/A VAL 582.A N LYS 595.A O no hydrogen 3.121 N/A THR 583.A N TYR 526.A O no hydrogen 2.927 N/A THR 583.A OG1 GLY 339.A O no hydrogen 2.866 N/A ALA 584.A N LEU 593.A O no hydrogen 2.739 N/A ARG 585.A N THR 524.A O no hydrogen 3.334 N/A ARG 585.A NH1 GLU 434.A OE2 no hydrogen 3.229 N/A ARG 585.A NH1 ARG 590.A O no hydrogen 3.123 N/A ARG 585.A NH2 GLU 336.A O no hydrogen 2.493 N/A ARG 585.A NH2 THR 424.A OG1 no hydrogen 2.866 N/A ILE 586.A N ASP 591.A O no hydrogen 2.986 N/A ASN 587.A ND2 THR 522.A O no hydrogen 2.784 N/A ASN 587.A ND2 THR 522.A OG1 no hydrogen 3.286 N/A GLU 588.A N GLU 588.A OE1 no hydrogen 2.906 N/A THR 589.A OG1 SER 490.A OG no hydrogen 3.013 N/A LEU 593.A N ALA 584.A O no hydrogen 2.855 N/A LYS 595.A N VAL 582.A O no hydrogen 3.139 N/A LYS 597.A N PHE 580.A O no hydrogen 3.136 N/A LYS 597.A NZ PHE 496.A O no hydrogen 3.183 N/A LYS 597.A NZ GLU 497.A OE1 no hydrogen 3.101 N/A SER 598.A OG ASN 352.A OD1 no hydrogen 2.818 N/A THR 599.A N LEU 578.A O no hydrogen 2.827 N/A LEU 601.A N ALA 576.A O no hydrogen 2.881 N/A THR 602.A N ALA 501.A O no hydrogen 2.819 N/A ILE 606.A N TYR 692.A O no hydrogen 3.208 N/A ILE 607.A N GLU 625.A O no hydrogen 2.513 N/A LYS 609.A N THR 623.A O no hydrogen 2.988 N/A ARG 611.A N THR 621.A O no hydrogen 3.274 N/A GLN 614.A NE2 GLN 698.A O no hydrogen 2.865 N/A VAL 616.A N GLN 700.A O no hydrogen 2.677 N/A GLY 617.A N PRO 671.A O no hydrogen 2.885 N/A SER 618.A N VAL 615.A O no hydrogen 2.719 N/A SER 618.A OG VAL 616.A O no hydrogen 3.538 N/A MET 620.A N CYS 669.A O no hydrogen 2.915 N/A THR 621.A N ARG 611.A O no hydrogen 2.914 N/A VAL 622.A N GLU 667.A O no hydrogen 2.722 N/A THR 623.A N LYS 609.A O no hydrogen 2.759 N/A VAL 624.A N TRP 665.A O no hydrogen 2.630 N/A GLU 625.A N ILE 607.A O no hydrogen 2.555 N/A PHE 626.A N VAL 663.A O no hydrogen 3.324 N/A THR 627.A OG1 THR 662.A OG1 no hydrogen 2.763 N/A ASN 628.A N SER 661.A O no hydrogen 3.291 N/A ASN 628.A ND2 GLU 632.A O no hydrogen 3.516 N/A LEU 630.A N ASN 628.A OD1 no hydrogen 2.960 N/A LEU 634.A N ILE 657.A O no hydrogen 2.668 N/A ARG 635.A NH1 ARG 655.A O no hydrogen 2.755 N/A ASN 636.A N ARG 655.A O no hydrogen 3.040 N/A ASN 636.A ND2 ASP 686.A OD2 no hydrogen 3.248 N/A VAL 637.A N PHE 654.A O no hydrogen 3.084 N/A TRP 638.A N ASN 636.A O no hydrogen 3.091 N/A VAL 639.A N LYS 652.A O no hydrogen 2.657 N/A HIS 640.A N SER 682.A O no hydrogen 2.826 N/A LEU 641.A N MET 650.A O no hydrogen 2.731 N/A ASP 642.A N ILE 680.A O no hydrogen 2.581 N/A GLY 643.A N ASP 642.A OD1 no hydrogen 3.109 N/A GLY 645.A N GLU 212.A OE2 no hydrogen 3.146 N/A VAL 646.A N GLY 643.A O no hydrogen 2.988 N/A THR 647.A N GLY 643.A O no hydrogen 2.974 N/A THR 647.A OG1 ARG 648.A O no hydrogen 2.995 N/A MET 650.A N LEU 641.A O no hydrogen 2.799 N/A LYS 652.A N VAL 639.A O no hydrogen 2.905 N/A PHE 654.A N VAL 637.A O no hydrogen 3.329 N/A ILE 657.A N LEU 634.A O no hydrogen 2.903 N/A ARG 658.A NH2 GLU 656.A OE2 no hydrogen 3.180 N/A ASN 660.A N ASN 628.A O no hydrogen 2.971 N/A SER 661.A N ARG 658.A O no hydrogen 3.281 N/A SER 661.A OG THR 662.A O no hydrogen 3.498 N/A THR 662.A OG1 THR 627.A OG1 no hydrogen 2.763 N/A VAL 663.A N PHE 626.A O no hydrogen 3.077 N/A TRP 665.A N VAL 624.A O no hydrogen 3.098 N/A GLU 667.A N VAL 622.A O no hydrogen 2.523 N/A CYS 669.A N MET 620.A O no hydrogen 2.835 N/A CYS 669.A SG GLU 667.A O no hydrogen 3.907 N/A ARG 670.A NH2 ASP 619.A OD2 no hydrogen 3.511 N/A TRP 672.A N GLY 645.A O no hydrogen 3.131 N/A TRP 672.A NE1 GLU 212.A OE1 no hydrogen 3.159 N/A GLY 675.A N ILE 699.A O no hydrogen 2.777 N/A ARG 677.A N VAL 697.A O no hydrogen 3.187 N/A ARG 677.A NE HIS 676.A O no hydrogen 2.902 N/A ARG 677.A NH1 ASP 189.A OD1 no hydrogen 3.251 N/A ARG 677.A NH1 PRO 644.A O no hydrogen 2.692 N/A ARG 677.A NH2 ASP 189.A OD1 no hydrogen 3.422 N/A ARG 677.A NH2 HIS 676.A O no hydrogen 3.310 N/A LYS 678.A NZ ASP 453.A OD2 no hydrogen 2.685 N/A LYS 678.A NZ GLU 694.A OE2 no hydrogen 2.858 N/A LYS 678.A NZ ASP 696.A OD1 no hydrogen 2.967 N/A LEU 679.A N LEU 695.A O no hydrogen 2.611 N/A ILE 680.A N ASP 642.A O no hydrogen 2.804 N/A ALA 681.A N GLY 693.A O no hydrogen 2.854 N/A SER 682.A N HIS 640.A O no hydrogen 2.966 N/A SER 682.A OG ALA 272.A O no hydrogen 2.664 N/A MET 683.A N VAL 691.A O no hydrogen 2.947 N/A SER 684.A N TRP 638.A O no hydrogen 2.992 N/A SER 685.A N LEU 688.A O no hydrogen 2.916 N/A SER 685.A OG LEU 688.A O no hydrogen 2.487 N/A SER 687.A N SER 685.A OG no hydrogen 2.857 N/A SER 687.A OG GLU 632.A OE1 no hydrogen 3.152 N/A SER 687.A OG GLU 632.A OE2 no hydrogen 3.280 N/A ARG 689.A NH1 ASN 262.A O no hydrogen 2.721 N/A ARG 689.A NH1 GLU 574.A OE1 no hydrogen 3.192 N/A HIS 690.A ND1 SER 271.A OG no hydrogen 2.794 N/A TYR 692.A OH SER 271.A O no hydrogen 2.468 N/A GLY 693.A N ALA 681.A O no hydrogen 3.325 N/A LEU 695.A N LEU 679.A O no hydrogen 2.846 N/A ILE 699.A N GLY 675.A O no hydrogen 2.863 N/A GLN 700.A N GLN 614.A O no hydrogen 2.790 N/A