Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4g0u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N VAL 45.A O no hydrogen 3.006 N/A ALA 6.A N TYR 95.A OH no hydrogen 3.011 N/A ASN 7.A N ARG 40.A O no hydrogen 2.819 N/A ASN 7.A ND2 ASP 41.A OD1 no hydrogen 3.469 N/A ASP 8.A N ASP 41.A O no hydrogen 3.082 N/A ALA 9.A N ALA 6.A O no hydrogen 2.971 N/A GLY 10.A N ARG 94.A O no hydrogen 3.379 N/A SER 14.A OG GLY 11.A O no hydrogen 2.992 N/A GLU 16.A N HIS 13.A O no hydrogen 2.837 N/A CYS 17.A N SER 14.A O no hydrogen 3.137 N/A CYS 17.A SG HIS 13.A O no hydrogen 3.538 N/A CYS 17.A SG ASP 41.A O no hydrogen 3.905 N/A THR 18.A N ARG 42.A O no hydrogen 2.926 N/A LEU 19.A N LYS 97.A O no hydrogen 2.998 N/A ILE 20.A N GLY 44.A O no hydrogen 2.668 N/A LEU 21.A N MET 99.A O no hydrogen 2.901 N/A THR 22.A N PHE 46.A O no hydrogen 2.990 N/A THR 22.A OG1 GLY 24.A O no hydrogen 3.330 N/A GLU 23.A N MET 101.A O no hydrogen 3.251 N/A GLY 24.A N LEU 48.A O no hydrogen 2.806 N/A LYS 28.A N GLY 24.A O no hydrogen 3.251 N/A LYS 28.A NZ ASP 4.A OD2 no hydrogen 3.138 N/A SER 29.A N ASP 25.A O no hydrogen 2.732 N/A LEU 30.A N SER 26.A O no hydrogen 2.842 N/A ALA 31.A N ALA 27.A O no hydrogen 2.828 N/A VAL 32.A N LYS 28.A O no hydrogen 2.631 N/A SER 33.A N SER 29.A O no hydrogen 2.864 N/A GLY 34.A N LEU 30.A O no hydrogen 2.873 N/A GLY 36.A N SER 33.A O no hydrogen 2.990 N/A ARG 40.A NH1 TYR 43.A O no hydrogen 2.882 N/A ARG 40.A NH2 ASP 4.A O no hydrogen 3.246 N/A ASP 41.A N ILE 38.A O no hydrogen 3.211 N/A ARG 42.A NH1 HIS 13.A ND1 no hydrogen 3.097 N/A ARG 42.A NH2 HIS 13.A ND1 no hydrogen 3.320 N/A TYR 43.A N GLY 39.A O no hydrogen 3.173 N/A GLY 44.A N THR 18.A O no hydrogen 2.918 N/A VAL 45.A N ASP 4.A O no hydrogen 3.249 N/A PHE 46.A N ILE 20.A O no hydrogen 2.957 N/A LEU 48.A N THR 22.A O no hydrogen 2.728 N/A ARG 49.A NE ASP 25.A OD1 no hydrogen 2.805 N/A ARG 49.A NH2 ASP 25.A OD1 no hydrogen 3.360 N/A ARG 49.A NH2 ASP 25.A OD2 no hydrogen 3.247 N/A LYS 51.A NZ ASP 107.A OD1 no hydrogen 2.819 N/A LYS 51.A NZ HIS 110.A ND1 no hydrogen 2.921 N/A ASN 54.A ND2 PHE 159.A O no hydrogen 3.127 N/A ARG 56.A N ASN 54.A OD1 no hydrogen 3.241 N/A ARG 56.A NE ASN 117.A OD1 no hydrogen 2.850 N/A ARG 56.A NH2 ASN 117.A OD1 no hydrogen 3.102 N/A ARG 56.A NH2 HIS 120.A ND1 no hydrogen 2.921 N/A ALA 58.A N VAL 55.A O no hydrogen 3.454 N/A SER 59.A N GLN 62.A OE1 no hydrogen 3.167 N/A GLN 62.A N SER 59.A OG no hydrogen 2.951 N/A ILE 63.A N SER 59.A O no hydrogen 3.248 N/A MET 64.A N HIS 60.A O no hydrogen 2.912 N/A GLU 65.A N LYS 61.A O no hydrogen 2.935 N/A ILE 69.A N ASN 66.A OD1 no hydrogen 2.832 N/A ASN 70.A N ASN 66.A O no hydrogen 3.190 N/A ASN 70.A ND2 ILE 63.A O no hydrogen 3.626 N/A ASN 70.A ND2 MET 64.A O no hydrogen 2.784 N/A ASN 71.A N ALA 67.A O no hydrogen 3.069 N/A ILE 72.A N GLU 68.A O no hydrogen 3.032 N/A ILE 73.A N ILE 69.A O no hydrogen 2.899 N/A LYS 74.A N ASN 70.A O no hydrogen 3.029 N/A ILE 75.A N ASN 71.A O no hydrogen 2.960 N/A VAL 76.A N ILE 72.A O no hydrogen 3.132 N/A GLY 77.A N ILE 73.A O no hydrogen 2.742 N/A GLY 77.A N LYS 74.A O no hydrogen 3.149 N/A LEU 78.A N ILE 73.A O no hydrogen 2.955 N/A GLN 79.A N TYR 84.A OH no hydrogen 3.116 N/A LYS 82.A N TYR 80.A O no hydrogen 2.645 N/A LYS 82.A NZ GLN 79.A OE1 no hydrogen 3.244 N/A LYS 82.A NZ SER 89.A O no hydrogen 3.554 N/A LYS 82.A NZ THR 92.A OG1 no hydrogen 2.978 N/A SER 83.A OG ASP 85.A OD2 no hydrogen 2.716 N/A TYR 84.A N SER 125.A OG.A no hydrogen 3.088 N/A SER 89.A N ASP 86.A OD1 no hydrogen 2.943 N/A SER 89.A OG ASP 86.A O no hydrogen 2.874 N/A LEU 90.A N ALA 87.A O no hydrogen 3.054 N/A LYS 91.A N GLU 88.A O no hydrogen 3.064 N/A THR 92.A OG1 SER 89.A O no hydrogen 3.377 N/A ARG 94.A N VAL 76.A O no hydrogen 2.846 N/A ARG 94.A NH1 ASP 5.A OD2 no hydrogen 3.330 N/A ARG 94.A NH1 ILE 75.A O no hydrogen 2.739 N/A ARG 94.A NH2 ASP 5.A OD1 no hydrogen 2.484 N/A TYR 95.A OH ASP 5.A OD2 no hydrogen 2.536 N/A GLY 96.A N CYS 17.A O no hydrogen 3.032 N/A LYS 97.A N CYS 17.A O no hydrogen 3.253 N/A LYS 97.A NZ GLU 16.A O no hydrogen 3.120 N/A ILE 98.A N PHE 131.A O no hydrogen 3.045 N/A MET 99.A N LEU 19.A O no hydrogen 2.931 N/A ILE 100.A N GLU 133.A O no hydrogen 2.905 N/A MET 101.A N LEU 21.A O no hydrogen 2.736 N/A THR 102.A OG1 ASP 103.A O no hydrogen 3.257 N/A ASP 103.A N GLU 23.A OE1 no hydrogen 2.712 N/A GLN 106.A N GLN 106.A OE1 no hydrogen 2.886 N/A GLY 108.A N ASP 105.A OD1 no hydrogen 2.912 N/A SER 109.A N ASP 105.A O no hydrogen 3.094 N/A SER 109.A OG ASP 105.A O no hydrogen 3.384 N/A SER 109.A OG GLU 195.A OE2 no hydrogen 2.868 N/A HIS 110.A N GLN 106.A O no hydrogen 3.110 N/A ILE 111.A N ASP 107.A O no hydrogen 3.054 N/A LYS 112.A N GLY 108.A O no hydrogen 3.111 N/A LYS 112.A NZ GLN 104.A OE1 no hydrogen 3.393 N/A LYS 112.A NZ GLU 134.A OE1 no hydrogen 2.979 N/A LYS 112.A NZ GLU 195.A OE2 no hydrogen 3.330 N/A GLY 113.A N SER 109.A O no hydrogen 2.978 N/A LEU 114.A N HIS 110.A O no hydrogen 2.896 N/A LEU 115.A N ILE 111.A O no hydrogen 2.985 N/A ILE 116.A N LYS 112.A O no hydrogen 2.833 N/A ASN 117.A N GLY 113.A O no hydrogen 2.719 N/A ASN 117.A ND2 ASN 54.A OD1 no hydrogen 2.828 N/A PHE 118.A N LEU 114.A O no hydrogen 3.039 N/A ILE 119.A N LEU 115.A O no hydrogen 3.142 N/A HIS 120.A N ILE 116.A O no hydrogen 2.749 N/A HIS 120.A NE2 ASP 152.A OD2 no hydrogen 2.891 N/A HIS 121.A N ASN 117.A O no hydrogen 3.021 N/A ASN 122.A N PHE 118.A O no hydrogen 3.332 N/A ASN 122.A ND2 PHE 118.A O no hydrogen 2.832 N/A TRP 123.A N ILE 119.A O no hydrogen 2.776 N/A TRP 123.A NE1 GLN 79.A O no hydrogen 2.868 N/A SER 125.A OG.B ASP 85.A OD1 no hydrogen 2.906 N/A LEU 126.A N TRP 123.A O no hydrogen 3.082 N/A LEU 127.A N PRO 124.A O no hydrogen 3.071 N/A LYS 128.A N SER 125.A O no hydrogen 2.838 N/A GLY 130.A N LEU 127.A O no hydrogen 3.196 N/A GLU 133.A N ILE 98.A O no hydrogen 2.973 N/A GLU 134.A N ILE 142.A O no hydrogen 2.826 N/A PHE 135.A N ILE 100.A O no hydrogen 3.115 N/A ILE 136.A N HIS 140.A O no hydrogen 3.048 N/A ARG 141.A N GLU 138.A O no hydrogen 3.397 N/A ARG 141.A NE GLU 133.A OE1 no hydrogen 2.945 N/A ARG 141.A NE GLU 133.A OE2 no hydrogen 3.176 N/A ARG 141.A NH2 GLU 133.A OE2 no hydrogen 2.937 N/A ILE 142.A N GLU 134.A O no hydrogen 2.949 N/A LEU 143.A N LYS 184.A O no hydrogen 3.305 N/A PHE 144.A N LEU 132.A O no hydrogen 3.200 N/A ARG 145.A N LEU 186.A O no hydrogen 3.134 N/A TYR 146.A OH ASP 152.A OD1 no hydrogen 2.485 N/A ALA 147.A N ASP 151.A OD1 no hydrogen 3.032 N/A GLU 150.A N GLU 150.A OE1 no hydrogen 2.986 N/A ASP 151.A N GLY 148.A O no hydrogen 3.027 N/A ALA 153.A N PRO 149.A O no hydrogen 3.142 N/A ALA 154.A N GLU 150.A O no hydrogen 3.278 N/A ILE 155.A N ASP 151.A O no hydrogen 3.275 N/A THR 156.A N ASP 152.A O no hydrogen 3.060 N/A THR 156.A OG1 ASP 152.A O no hydrogen 2.869 N/A LEU 157.A N ALA 153.A O no hydrogen 2.811 N/A ALA 158.A N ALA 154.A O no hydrogen 3.299 N/A PHE 159.A N ILE 155.A O no hydrogen 3.015 N/A SER 160.A N THR 156.A O no hydrogen 2.787 N/A SER 160.A OG GLU 57.A OE2 no hydrogen 2.658 N/A LYS 161.A N GLU 57.A OE1 no hydrogen 3.133 N/A LYS 162.A N SER 160.A OG no hydrogen 3.326 N/A LYS 163.A N SER 160.A O no hydrogen 3.213 N/A ARG 167.A N LYS 163.A O no hydrogen 3.077 N/A ARG 167.A NH1 LEU 157.A O no hydrogen 2.598 N/A ARG 167.A NH1 SER 160.A O no hydrogen 2.862 N/A ARG 167.A NH2 SER 160.A O no hydrogen 2.716 N/A LYS 168.A N ILE 164.A O no hydrogen 3.004 N/A LYS 168.A NZ GLY 352.A O no hydrogen 3.004 N/A GLU 169.A N ASP 165.A O no hydrogen 3.131 N/A TRP 170.A N ASP 166.A O no hydrogen 2.831 N/A TRP 170.A NE1 ASN 193.A OD1 no hydrogen 2.847 N/A LEU 171.A N ARG 167.A O no hydrogen 2.821 N/A THR 172.A N LYS 168.A O no hydrogen 2.946 N/A THR 172.A OG1 LYS 168.A O no hydrogen 2.696 N/A ASN 173.A N GLU 169.A O no hydrogen 2.967 N/A PHE 174.A N TRP 170.A O no hydrogen 3.207 N/A MET 175.A N LEU 171.A O no hydrogen 2.920 N/A GLU 176.A N THR 172.A O no hydrogen 3.020 N/A ASP 177.A N ASN 173.A O no hydrogen 2.972 N/A ARG 178.A N PHE 174.A O no hydrogen 3.078 N/A ARG 178.A NH2 GLU 205.A OE2 no hydrogen 3.092 N/A ARG 179.A N MET 175.A O no hydrogen 3.015 N/A GLN 180.A N GLU 176.A O no hydrogen 2.951 N/A ARG 181.A N ASP 177.A O no hydrogen 3.332 N/A ARG 181.A NE ASP 177.A O no hydrogen 2.956 N/A ARG 181.A NH2 ASP 177.A O no hydrogen 3.551 N/A ARG 182.A N ARG 178.A O no hydrogen 3.048 N/A ARG 182.A N ARG 179.A O no hydrogen 3.219 N/A LEU 186.A N LEU 143.A O no hydrogen 2.911 N/A ASN 189.A N ASP 151.A OD2 no hydrogen 3.213 N/A ASP 190.A N THR 187.A OG1 no hydrogen 3.131 N/A PHE 191.A N THR 187.A O no hydrogen 2.972 N/A ILE 192.A N TYR 188.A O no hydrogen 2.880 N/A ASN 193.A N ASN 189.A O no hydrogen 3.091 N/A ASN 193.A ND2 ASN 189.A O no hydrogen 2.973 N/A LYS 194.A N ASP 190.A O no hydrogen 2.954 N/A GLU 195.A N PHE 191.A O no hydrogen 2.780 N/A LEU 196.A N PHE 191.A O no hydrogen 2.985 N/A ILE 197.A N ILE 192.A O no hydrogen 3.100 N/A LEU 198.A N GLU 195.A O no hydrogen 3.111 N/A SER 200.A N LEU 196.A O no hydrogen 3.067 N/A ASN 201.A N ILE 197.A O no hydrogen 2.991 N/A SER 202.A N LEU 198.A O no hydrogen 3.132 N/A SER 202.A OG LEU 198.A O no hydrogen 3.048 N/A ASP 203.A N PHE 199.A O no hydrogen 2.767 N/A ASN 204.A N SER 200.A O no hydrogen 3.261 N/A ASN 204.A ND2 THR 351.A O no hydrogen 3.143 N/A GLU 205.A N ASN 201.A O no hydrogen 3.018 N/A ARG 206.A N SER 202.A O no hydrogen 3.071 N/A ARG 206.A NH1 ASP 107.A OD2 no hydrogen 2.911 N/A ARG 206.A NH2 ASP 107.A OD1 no hydrogen 3.026 N/A SER 207.A N ASP 203.A O no hydrogen 3.067 N/A SER 207.A N ASN 204.A O no hydrogen 3.126 N/A SER 207.A OG ASP 203.A O no hydrogen 3.008 N/A SER 207.A OG ASP 203.A OD1 no hydrogen 3.553 N/A SER 207.A OG ILE 349.A O no hydrogen 3.390 N/A ILE 208.A N ASN 204.A O no hydrogen 2.856 N/A SER 210.A N PHE 215.A O no hydrogen 3.010 N/A LEU 211.A N PHE 496.A O no hydrogen 2.728 N/A VAL 212.A N SER 210.A OG no hydrogen 3.047 N/A GLY 214.A N SER 210.A O no hydrogen 3.020 N/A PHE 215.A N ASP 213.A OD1 no hydrogen 2.931 N/A LYS 216.A N GLN 219.A OE1 no hydrogen 2.866 N/A LYS 216.A NZ GLU 347.A O no hydrogen 2.743 N/A ARG 220.A N LYS 216.A O no hydrogen 2.883 N/A ARG 220.A NE ASP 213.A OD2 no hydrogen 2.772 N/A ARG 220.A NH2 ASP 213.A OD1 no hydrogen 3.091 N/A ARG 220.A NH2 ASP 213.A OD2 no hydrogen 3.494 N/A LYS 221.A N PRO 217.A O no hydrogen 2.944 N/A LYS 221.A NZ SER 248.A O no hydrogen 2.982 N/A LYS 221.A NZ GLU 330.A OE1 no hydrogen 2.547 N/A LYS 221.A NZ GLU 330.A OE2 no hydrogen 3.333 N/A VAL 222.A N GLY 218.A O no hydrogen 3.140 N/A LEU 223.A N GLN 219.A O no hydrogen 3.109 N/A PHE 224.A N ARG 220.A O no hydrogen 2.960 N/A THR 225.A N LYS 221.A O no hydrogen 2.989 N/A THR 225.A OG1 LYS 221.A O no hydrogen 3.047 N/A CYS 226.A N VAL 222.A O no hydrogen 2.933 N/A CYS 226.A SG VAL 222.A O no hydrogen 3.351 N/A PHE 227.A N LEU 223.A O no hydrogen 2.900 N/A LYS 228.A N PHE 224.A O no hydrogen 3.149 N/A ARG 229.A N THR 225.A O no hydrogen 2.875 N/A ARG 229.A NE ASP 231.A OD2 no hydrogen 3.031 N/A ARG 229.A NH1 SER 243.A OG no hydrogen 2.765 N/A ARG 229.A NH2 ASP 231.A OD1 no hydrogen 3.021 N/A ARG 229.A NH2 ASP 231.A OD2 no hydrogen 3.494 N/A ASN 230.A N CYS 226.A O no hydrogen 2.992 N/A VAL 235.A N THR 301.A O no hydrogen 2.834 N/A VAL 237.A N ILE 299.A O no hydrogen 2.916 N/A ALA 238.A N PRO 296.A O no hydrogen 2.918 N/A LEU 240.A N LYS 236.A O no hydrogen 2.821 N/A ALA 241.A N VAL 237.A O no hydrogen 2.728 N/A GLY 242.A N ALA 238.A O no hydrogen 3.314 N/A SER 243.A N GLN 239.A O no hydrogen 2.966 N/A VAL 244.A N LEU 240.A O no hydrogen 2.774 N/A ALA 245.A N ALA 241.A O no hydrogen 2.839 N/A GLU 246.A N GLY 242.A O no hydrogen 2.892 N/A MET 247.A N SER 243.A O no hydrogen 3.012 N/A SER 248.A N VAL 244.A O no hydrogen 3.024 N/A SER 248.A OG VAL 244.A O no hydrogen 2.663 N/A TYR 250.A N ALA 245.A O no hydrogen 3.132 N/A HIS 251.A NE2 ASP 324.A OD1 no hydrogen 3.138 N/A HIS 251.A NE2 ASP 324.A OD2 no hydrogen 3.157 N/A GLU 254.A N GLU 254.A OE1 no hydrogen 3.026 N/A GLN 255.A N GLN 255.A OE1 no hydrogen 2.788 N/A ALA 256.A N GLY 253.A O no hydrogen 3.083 N/A MET 258.A N GLU 254.A O no hydrogen 3.089 N/A MET 259.A N GLN 255.A O no hydrogen 3.163 N/A THR 260.A N ALA 256.A O no hydrogen 3.003 N/A THR 260.A OG1 ALA 256.A O no hydrogen 3.176 N/A ILE 261.A N LEU 257.A O no hydrogen 2.749 N/A VAL 262.A N MET 258.A O no hydrogen 3.065 N/A ASN 263.A N MET 259.A O no hydrogen 2.771 N/A LEU 264.A N THR 260.A O no hydrogen 3.035 N/A LEU 264.A N ILE 261.A O no hydrogen 3.128 N/A ALA 265.A N ILE 261.A O no hydrogen 3.199 N/A ALA 265.A N VAL 262.A O no hydrogen 3.143 N/A GLN 266.A NE2 PHE 283.A O no hydrogen 2.651 N/A SER 271.A N PHE 268.A O no hydrogen 2.888 N/A SER 271.A OG PHE 268.A O no hydrogen 2.663 N/A ASN 272.A ND2 ASN 263.A O no hydrogen 3.021 N/A ASN 272.A ND2 GLN 266.A O no hydrogen 2.656 N/A ASN 273.A ND2 TYR 360.A O no hydrogen 2.936 N/A ASN 273.A ND2 ASN 384.A O no hydrogen 2.821 N/A ILE 274.A N ASN 344.A OD1 no hydrogen 3.000 N/A ASN 275.A ND2 ALA 265.A O no hydrogen 3.569 N/A ASN 275.A ND2 LEU 277.A O no hydrogen 2.819 N/A GLN 278.A N MET 302.A O no hydrogen 2.867 N/A GLN 278.A NE2 LEU 303.A O no hydrogen 2.302 N/A ILE 280.A N GLN 278.A O no hydrogen 3.152 N/A ILE 280.A N PHE 300.A O no hydrogen 3.107 N/A GLY 284.A N GLN 282.A OE1 no hydrogen 2.693 N/A THR 285.A N ASP 292.A OD1 no hydrogen 2.959 N/A THR 285.A OG1 ASP 292.A OD2 no hydrogen 2.613 N/A ARG 286.A NH1 THR 457.A O no hydrogen 2.787 N/A ARG 286.A NH2 GLU 418.A OE1 no hydrogen 2.792 N/A LEU 287.A N THR 285.A OG1 no hydrogen 3.263 N/A HIS 288.A N THR 285.A O no hydrogen 3.363 N/A GLY 290.A N THR 285.A O no hydrogen 3.081 N/A LYS 291.A N HIS 288.A O no hydrogen 3.263 N/A ALA 293.A N GLY 290.A O no hydrogen 2.980 N/A ALA 294.A N GLN 282.A O no hydrogen 2.909 N/A TYR 298.A N SER 295.A O no hydrogen 2.786 N/A PHE 300.A N ILE 280.A O no hydrogen 2.926 N/A THR 301.A N VAL 235.A O no hydrogen 2.869 N/A THR 301.A OG1 GLN 278.A O no hydrogen 2.623 N/A THR 301.A OG1 MET 302.A O no hydrogen 3.558 N/A SER 304.A N LEU 276.A O no hydrogen 2.888 N/A THR 305.A OG1 GLU 644.A OE2 no hydrogen 2.699 N/A LEU 306.A N SER 304.A OG no hydrogen 2.963 N/A ALA 307.A N SER 304.A O no hydrogen 2.994 N/A ARG 308.A NH1 PHE 311.A O no hydrogen 2.772 N/A ARG 308.A NH1 ASP 316.A OD1 no hydrogen 3.408 N/A ARG 308.A NH1 ASP 316.A OD2 no hydrogen 3.461 N/A ARG 308.A NH2 ASP 316.A OD2 no hydrogen 2.720 N/A LEU 310.A N LEU 306.A O no hydrogen 3.067 N/A PHE 311.A N ALA 307.A O no hydrogen 2.917 N/A ASP 315.A N PRO 312.A O no hydrogen 3.161 N/A ASP 316.A N ALA 313.A O no hydrogen 2.775 N/A ASN 317.A N VAL 314.A O no hydrogen 3.205 N/A ASN 317.A ND2 VAL 314.A O no hydrogen 2.832 N/A LEU 318.A N ASP 315.A O no hydrogen 2.959 N/A LEU 319.A N ASP 316.A O no hydrogen 3.071 N/A LEU 322.A N GLU 330.A O no hydrogen 2.976 N/A ASP 324.A N GLN 327.A O no hydrogen 2.988 N/A GLN 327.A N ASP 324.A O no hydrogen 3.364 N/A GLN 327.A NE2 GLU 246.A O no hydrogen 3.003 N/A VAL 329.A N LEU 322.A O no hydrogen 2.931 N/A GLU 330.A N GLU 330.A OE1 no hydrogen 2.870 N/A GLU 332.A N LYS 320.A O no hydrogen 2.979 N/A TRP 333.A NE1 HIS 498.A O no hydrogen 3.125 N/A TYR 334.A N ASP 213.A OD2 no hydrogen 2.959 N/A ILE 337.A N LEU 310.A O no hydrogen 3.026 N/A LEU 342.A N PRO 339.A O no hydrogen 3.080 N/A ASN 344.A N MET 340.A O no hydrogen 3.393 N/A ASN 344.A ND2 ILE 274.A O no hydrogen 2.943 N/A ALA 346.A N VAL 341.A O no hydrogen 3.437 N/A GLY 348.A N CYS 355.A O no hydrogen 2.982 N/A GLY 350.A N TRP 353.A O no hydrogen 2.883 N/A THR 351.A N ASN 204.A OD1 no hydrogen 2.962 N/A THR 351.A OG1 ASP 203.A OD2 no hydrogen 2.872 N/A CYS 355.A N GLY 348.A O no hydrogen 2.735 N/A CYS 355.A SG VAL 494.A O no hydrogen 3.138 N/A LYS 356.A N SER 492.A O no hydrogen 3.110 N/A LYS 356.A NZ THR 489.A O no hydrogen 3.105 N/A LEU 357.A N ALA 346.A O no hydrogen 2.962 N/A ASN 359.A N TYR 385.A OH no hydrogen 3.217 N/A ASN 359.A ND2 SER 271.A O no hydrogen 2.900 N/A ASN 359.A ND2 ASN 273.A OD1 no hydrogen 2.958 N/A TYR 360.A N LEU 342.A O no hydrogen 2.767 N/A ARG 363.A NE ASP 646.A OD1 no hydrogen 3.359 N/A ARG 363.A NH1 GLU 649.A OE1 no hydrogen 2.674 N/A ARG 363.A NH2 ASP 646.A OD1 no hydrogen 2.535 N/A ARG 363.A NH2 GLU 649.A OE1 no hydrogen 2.918 N/A GLU 364.A N ASP 361.A OD2 no hydrogen 2.763 N/A ILE 365.A N ASP 361.A O no hydrogen 3.192 N/A VAL 366.A N ALA 362.A O no hydrogen 2.849 N/A ASN 367.A N ARG 363.A O no hydrogen 2.893 N/A ASN 368.A N GLU 364.A O no hydrogen 2.931 N/A ASN 368.A ND2 HIS 379.A O no hydrogen 2.858 N/A VAL 369.A N ILE 365.A O no hydrogen 2.909 N/A ARG 370.A N VAL 366.A O no hydrogen 2.846 N/A ARG 371.A N ASN 367.A O no hydrogen 2.894 N/A ARG 371.A NE.A ASP 377.A O no hydrogen 2.841 N/A ARG 371.A NH2.A ASP 377.A O no hydrogen 2.807 N/A MET 372.A N ASN 368.A O no hydrogen 3.056 N/A LEU 373.A N VAL 369.A O no hydrogen 3.032 N/A ASP 374.A N ARG 370.A O no hydrogen 3.204 N/A ASP 374.A N ARG 371.A O no hydrogen 3.036 N/A GLY 375.A N MET 372.A O no hydrogen 2.874 N/A LEU 376.A N ARG 371.A O no hydrogen 3.030 N/A HIS 379.A N ASN 368.A OD1 no hydrogen 2.842 N/A ASN 384.A N ASN 359.A O no hydrogen 2.752 N/A LYS 386.A N ASN 273.A OD1 no hydrogen 3.066 N/A LYS 386.A NZ GLU 652.A OE1 no hydrogen 2.757 N/A LYS 386.A NZ GLU 652.A OE2 no hydrogen 3.333 N/A PHE 388.A N TYR 385.A O no hydrogen 3.026 N/A LYS 389.A N GLU 418.A OE2 no hydrogen 2.682 N/A THR 391.A N SER 403.A O no hydrogen 3.099 N/A GLN 393.A N ALA 401.A O no hydrogen 2.947 N/A LEU 395.A N GLN 399.A O no hydrogen 2.901 N/A ASN 398.A ND2 ASN 491.A OD1 no hydrogen 3.152 N/A ASN 398.A ND2 GLU 506.A O no hydrogen 3.052 N/A GLN 399.A N GLY 396.A O no hydrogen 3.298 N/A TYR 400.A N LEU 488.A O no hydrogen 2.850 N/A ALA 401.A N GLN 393.A O no hydrogen 2.884 N/A VAL 402.A N THR 486.A O no hydrogen 2.714 N/A SER 403.A N THR 391.A O no hydrogen 2.886 N/A GLY 404.A N LEU 484.A O no hydrogen 2.789 N/A GLU 405.A N GLU 418.A O no hydrogen 2.841 N/A PHE 407.A N GLU 415.A O no hydrogen 3.045 N/A VAL 409.A N THR 413.A O no hydrogen 2.794 N/A ARG 411.A NH1 GLU 474.A OE1 no hydrogen 3.049 N/A ARG 411.A NH2 GLU 474.A OE1 no hydrogen 2.998 N/A ARG 411.A NH2 GLU 474.A OE2 no hydrogen 3.030 N/A ASN 412.A N ASP 410.A OD1 no hydrogen 2.946 N/A THR 413.A N ASP 410.A O no hydrogen 3.320 N/A THR 413.A OG1 ASP 410.A OD1 no hydrogen 3.010 N/A VAL 414.A N VAL 463.A O no hydrogen 3.095 N/A GLU 415.A N PHE 407.A O no hydrogen 3.066 N/A ILE 416.A N PHE 461.A O no hydrogen 2.835 N/A THR 417.A N GLU 405.A O no hydrogen 3.053 N/A THR 417.A OG1 GLU 405.A OE1 no hydrogen 2.836 N/A LEU 419.A N GLU 418.A OE1 no hydrogen 2.985 N/A ARG 422.A NH2 GLU 347.A OE2 no hydrogen 2.846 N/A THR 423.A N PRO 420.A O no hydrogen 2.861 N/A THR 425.A N ARG 286.A O no hydrogen 3.055 N/A GLN 426.A N LEU 287.A O no hydrogen 2.961 N/A GLN 426.A NE2 GLU 430.A OE2 no hydrogen 2.583 N/A TYR 428.A N TRP 424.A O no hydrogen 2.979 N/A TYR 428.A OH PHE 482.A O no hydrogen 2.449 N/A LYS 429.A N THR 425.A O no hydrogen 2.936 N/A LYS 429.A NZ GLU 452.A OE2 no hydrogen 3.364 N/A GLU 430.A N GLN 426.A O no hydrogen 2.949 N/A GLN 431.A N VAL 427.A O no hydrogen 2.770 N/A VAL 432.A N TYR 428.A O no hydrogen 2.901 N/A LEU 433.A N TYR 428.A O no hydrogen 3.359 N/A GLU 434.A N LYS 429.A O no hydrogen 2.967 N/A MET 436.A N VAL 432.A O no hydrogen 2.887 N/A LEU 437.A N GLU 434.A O no hydrogen 2.916 N/A ASN 438.A N GLU 434.A O no hydrogen 2.875 N/A ASN 438.A ND2 GLU 434.A OE1 no hydrogen 3.062 N/A GLY 439.A N PRO 435.A O no hydrogen 2.738 N/A THR 440.A N THR 443.A O no hydrogen 2.761 N/A THR 440.A OG1 THR 443.A O no hydrogen 3.547 N/A THR 440.A OG1 THR 443.A OG1 no hydrogen 2.851 N/A LYS 442.A N THR 440.A OG1 no hydrogen 3.291 N/A THR 443.A N THR 440.A OG1 no hydrogen 3.003 N/A THR 443.A OG1 THR 440.A OG1 no hydrogen 2.851 N/A LEU 446.A N MET 436.A O no hydrogen 2.700 N/A ILE 447.A N MET 436.A O no hydrogen 3.009 N/A SER 448.A N LYS 464.A O no hydrogen 2.695 N/A ASP 449.A N LYS 464.A O no hydrogen 3.377 N/A TYR 450.A OH GLU 434.A OE2 no hydrogen 2.438 N/A LYS 451.A N VAL 462.A O no hydrogen 2.710 N/A LYS 451.A NZ ASP 449.A OD2 no hydrogen 3.498 N/A TYR 453.A N LYS 460.A O no hydrogen 2.772 N/A HIS 454.A NE2 GLU 452.A OE1 no hydrogen 2.865 N/A THR 455.A OG1 THR 458.A OG1 no hydrogen 2.605 N/A THR 457.A N THR 455.A OG1 no hydrogen 3.426 N/A THR 458.A N THR 455.A OG1 no hydrogen 3.075 N/A THR 458.A OG1 THR 455.A OG1 no hydrogen 2.605 N/A LYS 460.A N HIS 454.A ND1 no hydrogen 2.990 N/A PHE 461.A N ILE 416.A O no hydrogen 2.920 N/A VAL 462.A N LYS 451.A O no hydrogen 2.777 N/A VAL 463.A N VAL 414.A O no hydrogen 2.838 N/A LYS 464.A N ASP 449.A O no hydrogen 2.666 N/A LYS 464.A NZ THR 413.A OG1 no hydrogen 2.459 N/A MET 465.A N ASN 412.A O no hydrogen 2.890 N/A LYS 469.A N THR 466.A OG1 no hydrogen 3.187 N/A LYS 469.A NZ ALA 445.A O no hydrogen 3.542 N/A LEU 470.A N THR 466.A O no hydrogen 3.130 N/A ALA 471.A N GLU 467.A O no hydrogen 3.038 N/A GLN 472.A N GLU 468.A O no hydrogen 3.095 N/A ALA 473.A N LYS 469.A O no hydrogen 2.782 N/A GLU 474.A N LEU 470.A O no hydrogen 2.774 N/A ALA 475.A N ALA 471.A O no hydrogen 2.914 N/A ALA 476.A N GLN 472.A O no hydrogen 3.026 N/A GLY 477.A N ALA 473.A O no hydrogen 2.930 N/A GLY 477.A N GLU 474.A O no hydrogen 3.224 N/A LYS 480.A N GLY 477.A O no hydrogen 2.836 N/A LYS 480.A NZ ALA 476.A O no hydrogen 3.197 N/A VAL 481.A N GLY 477.A O no hydrogen 2.911 N/A PHE 482.A N LEU 478.A O no hydrogen 2.966 N/A LYS 483.A N LYS 480.A O no hydrogen 3.301 N/A LEU 484.A N HIS 479.A O no hydrogen 2.724 N/A GLN 485.A NE2 SER 403.A OG no hydrogen 3.021 N/A THR 486.A N VAL 402.A O no hydrogen 2.843 N/A LEU 488.A N TYR 400.A O no hydrogen 2.817 N/A CYS 490.A N ASN 398.A O no hydrogen 2.733 N/A SER 492.A OG ALA 354.A O no hydrogen 2.985 N/A LEU 495.A N LYS 503.A O no hydrogen 2.831 N/A PHE 496.A N PRO 209.A O no hydrogen 3.205 N/A ASP 497.A N CYS 501.A O no hydrogen 2.877 N/A MET 499.A N ASP 497.A OD1 no hydrogen 2.962 N/A GLY 500.A N ASP 497.A O no hydrogen 3.062 N/A CYS 501.A N ASP 497.A OD1 no hydrogen 2.733 N/A LYS 503.A N LEU 495.A O no hydrogen 2.763 N/A LYS 503.A NZ GLU 514.A OE1 no hydrogen 3.103 N/A LYS 504.A NZ ASN 491.A O no hydrogen 2.810 N/A LYS 504.A NZ GLU 506.A OE2 no hydrogen 3.360 N/A TYR 505.A N MET 493.A O no hydrogen 2.770 N/A TYR 505.A OH GLU 514.A OE2 no hydrogen 2.818 N/A GLN 509.A NE2.A PRO 378.A O no hydrogen 3.254 N/A GLN 509.A NE2.A HIS 379.A O no hydrogen 3.363 N/A ASP 510.A N THR 507.A O no hydrogen 3.015 N/A ASP 510.A N THR 507.A OG1 no hydrogen 3.126 N/A ILE 511.A N THR 507.A O no hydrogen 3.341 N/A LEU 512.A N VAL 508.A O no hydrogen 2.895 N/A LYS 513.A N GLN 509.A O no hydrogen 2.848 N/A LYS 513.A NZ ASP 517.A OD2 no hydrogen 2.842 N/A GLU 514.A N ASP 510.A O no hydrogen 3.073 N/A PHE 515.A N ILE 511.A O no hydrogen 2.964 N/A PHE 516.A N LEU 512.A O no hydrogen 2.826 N/A ASP 517.A N LYS 513.A O no hydrogen 3.064 N/A LEU 518.A N GLU 514.A O no hydrogen 3.277 N/A ARG 519.A N PHE 515.A O no hydrogen 2.895 N/A ARG 519.A NE ARG 519.A O no hydrogen 2.803 N/A ARG 519.A NH1 ASP 315.A OD2 no hydrogen 2.688 N/A ARG 519.A NH2 ASP 315.A OD1 no hydrogen 3.452 N/A ARG 519.A NH2 ASP 315.A OD2 no hydrogen 3.271 N/A LEU 520.A N PHE 516.A O no hydrogen 2.941 N/A SER 521.A N ASP 517.A O no hydrogen 3.299 N/A SER 521.A OG LEU 518.A O no hydrogen 3.035 N/A TYR 522.A N LEU 518.A O no hydrogen 3.070 N/A TYR 523.A N ARG 519.A O no hydrogen 3.052 N/A TYR 523.A OH ASP 637.A OD2 no hydrogen 2.428 N/A GLY 524.A N LEU 520.A O no hydrogen 3.090 N/A LEU 525.A N SER 521.A O no hydrogen 2.748 N/A ARG 526.A N TYR 522.A O no hydrogen 2.725 N/A ARG 526.A NE ASP 315.A OD1 no hydrogen 3.010 N/A ARG 526.A NH1 ASP 637.A OD2 no hydrogen 3.313 N/A ARG 526.A NH2 ASP 315.A OD2 no hydrogen 2.664 N/A ARG 526.A NH2 ASP 637.A OD2 no hydrogen 2.996 N/A LYS 527.A N TYR 523.A O no hydrogen 2.953 N/A LYS 527.A NZ LYS 626.A O no hydrogen 2.923 N/A LYS 527.A NZ LYS 628.A O no hydrogen 2.653 N/A GLU 528.A N GLY 524.A O no hydrogen 2.938 N/A TRP 529.A N LEU 525.A O no hydrogen 3.009 N/A LEU 530.A N ARG 526.A O no hydrogen 2.872 N/A VAL 531.A N LYS 527.A O no hydrogen 2.860 N/A GLY 532.A N GLU 528.A O no hydrogen 2.987 N/A MET 533.A N TRP 529.A O no hydrogen 2.988 N/A LEU 534.A N LEU 530.A O no hydrogen 2.852 N/A GLY 535.A N VAL 531.A O no hydrogen 2.867 N/A ALA 536.A N GLY 532.A O no hydrogen 3.025 N/A GLU 537.A N MET 533.A O no hydrogen 3.053 N/A SER 538.A N LEU 534.A O no hydrogen 3.009 N/A SER 538.A N GLY 535.A O no hydrogen 2.942 N/A THR 539.A N GLY 535.A O no hydrogen 3.084 N/A THR 539.A OG1 GLY 535.A O no hydrogen 3.401 N/A LYS 540.A N ALA 536.A O no hydrogen 2.874 N/A LYS 540.A NZ ASP 578.A OD1 no hydrogen 3.319 N/A LYS 540.A NZ ASP 578.A OD2 no hydrogen 3.469 N/A LEU 541.A N GLU 537.A O no hydrogen 2.850 N/A ASN 542.A N SER 538.A O no hydrogen 2.947 N/A ASN 543.A N THR 539.A O no hydrogen 2.941 N/A ASN 543.A ND2 THR 539.A O no hydrogen 2.950 N/A GLN 544.A N LYS 540.A O no hydrogen 2.949 N/A GLN 544.A NE2 TYR 594.A O no hydrogen 2.777 N/A ALA 545.A N LEU 541.A O no hydrogen 2.856 N/A ARG 546.A N ASN 542.A O no hydrogen 2.781 N/A ARG 546.A NE GLU 550.A OE2 no hydrogen 3.407 N/A ARG 546.A NH1 ARG 573.A O no hydrogen 3.086 N/A ARG 546.A NH1 GLY 574.A O no hydrogen 3.335 N/A ARG 546.A NH2 GLU 550.A OE2 no hydrogen 3.434 N/A ARG 546.A NH2 ARG 573.A O no hydrogen 2.505 N/A PHE 547.A N ASN 543.A O no hydrogen 2.870 N/A ILE 548.A N GLN 544.A O no hydrogen 2.967 N/A LEU 549.A N ALA 545.A O no hydrogen 3.090 N/A GLU 550.A N ARG 546.A O no hydrogen 2.922 N/A LYS 551.A N PHE 547.A O no hydrogen 2.835 N/A LYS 551.A NZ GLU 559.A OE1 no hydrogen 3.423 N/A LYS 551.A NZ GLU 559.A OE2 no hydrogen 2.848 N/A ILE 552.A N ILE 548.A O no hydrogen 3.132 N/A GLN 553.A N LEU 549.A O no hydrogen 3.030 N/A GLY 554.A N LYS 551.A O no hydrogen 3.010 N/A LYS 555.A N GLU 550.A O no hydrogen 2.875 N/A ILE 558.A N GLU 559.A OE1 no hydrogen 3.205 N/A GLU 559.A N GLU 559.A OE1 no hydrogen 2.735 N/A ARG 561.A N ILE 558.A O no hydrogen 2.959 N/A ARG 561.A NH1 THR 557.A OG1 no hydrogen 3.371 N/A SER 562.A OG ASP 565.A OD2 no hydrogen 3.382 N/A ASP 565.A N SER 562.A OG no hydrogen 3.335 N/A LEU 566.A N SER 562.A O no hydrogen 2.989 N/A ILE 567.A N LYS 563.A O no hydrogen 3.123 N/A GLN 568.A N LYS 564.A O no hydrogen 3.198 N/A MET 569.A N ASP 565.A O no hydrogen 2.987 N/A LEU 570.A N LEU 566.A O no hydrogen 2.925 N/A VAL 571.A N ILE 567.A O no hydrogen 2.940 N/A GLN 572.A N GLN 568.A O no hydrogen 2.858 N/A ARG 573.A N MET 569.A O no hydrogen 3.100 N/A ARG 573.A NE GLU 550.A OE1 no hydrogen 3.129 N/A ARG 573.A NH2 GLU 550.A OE1 no hydrogen 3.258 N/A ARG 573.A NH2 GLU 550.A OE2 no hydrogen 2.925 N/A GLY 574.A N VAL 571.A O no hydrogen 2.764 N/A TYR 575.A N LEU 570.A O no hydrogen 2.975 N/A TYR 575.A OH GLU 550.A OE1 no hydrogen 2.789 N/A GLU 576.A N ASN 543.A OD1 no hydrogen 3.106 N/A ASP 578.A N ASP 591.A O no hydrogen 2.764 N/A LYS 581.A N ASP 578.A OD1 no hydrogen 2.856 N/A LYS 581.A NZ GLU 585.A OE2 no hydrogen 2.824 N/A ALA 582.A N ASP 578.A O no hydrogen 2.936 N/A TRP 583.A N PRO 579.A O no hydrogen 2.977 N/A LYS 584.A N VAL 580.A O no hydrogen 3.073 N/A GLU 585.A N LYS 581.A O no hydrogen 2.973 N/A ALA 586.A N ALA 582.A O no hydrogen 3.050 N/A GLN 587.A N LYS 584.A O no hydrogen 3.381 N/A ASP 591.A N SER 577.A OG no hydrogen 3.171 N/A ASN 593.A N ASP 591.A OD2 no hydrogen 3.103 N/A TYR 594.A OH GLU 576.A O no hydrogen 2.738 N/A ILE 595.A N PHE 592.A O no hydrogen 2.887 N/A LEU 596.A N PHE 592.A O no hydrogen 3.301 N/A ASN 597.A N ASN 593.A O no hydrogen 2.794 N/A MET 598.A N ILE 595.A O no hydrogen 3.075 N/A SER 602.A N SER 599.A O no hydrogen 3.084 N/A SER 602.A OG SER 599.A O no hydrogen 2.897 N/A LEU 603.A N LEU 600.A O no hydrogen 3.044 N/A THR 604.A N TRP 601.A O no hydrogen 3.040 N/A THR 604.A OG1 TRP 601.A O no hydrogen 2.935 N/A LYS 607.A NZ GLU 610.A OE1 no hydrogen 3.318 N/A VAL 608.A N THR 604.A O no hydrogen 2.761 N/A GLU 609.A N LYS 605.A O no hydrogen 2.918 N/A GLU 610.A N GLU 606.A O no hydrogen 2.848 N/A LEU 611.A N LYS 607.A O no hydrogen 2.932 N/A ILE 612.A N VAL 608.A O no hydrogen 3.022 N/A LYS 613.A N GLU 609.A O no hydrogen 3.036 N/A GLN 614.A N GLU 610.A O no hydrogen 3.066 N/A ARG 615.A N LEU 611.A O no hydrogen 3.052 N/A ARG 615.A NE ASP 616.A OD1 no hydrogen 3.220 N/A ARG 615.A NH2 ASP 616.A OD1 no hydrogen 3.225 N/A ASP 616.A N ILE 612.A O no hydrogen 3.201 N/A ALA 617.A N LYS 613.A O no hydrogen 2.987 N/A LYS 618.A N GLN 614.A O no hydrogen 2.974 N/A LYS 618.A NZ GLU 537.A OE1 no hydrogen 2.873 N/A LYS 618.A NZ GLU 621.A OE1 no hydrogen 3.012 N/A GLY 619.A N ARG 615.A O no hydrogen 3.191 N/A ARG 620.A N ASP 616.A O no hydrogen 3.103 N/A GLU 621.A N ALA 617.A O no hydrogen 2.864 N/A VAL 622.A N LYS 618.A O no hydrogen 2.929 N/A ASN 623.A N GLY 619.A O no hydrogen 3.213 N/A ASP 624.A N ARG 620.A O no hydrogen 2.790 N/A LEU 625.A N GLU 621.A O no hydrogen 3.271 N/A LYS 626.A N VAL 622.A O no hydrogen 2.952 N/A ARG 627.A N ASN 623.A O no hydrogen 3.201 N/A LYS 628.A N LEU 625.A O no hydrogen 2.996 N/A LYS 628.A NZ GLU 636.A OE1 no hydrogen 3.527 N/A LYS 628.A NZ GLU 636.A OE2 no hydrogen 2.615 N/A SER 629.A N ASP 632.A OD2 no hydrogen 2.943 N/A ASP 632.A N SER 629.A OG no hydrogen 2.912 N/A LEU 633.A N SER 629.A O no hydrogen 3.032 N/A TRP 634.A N PRO 630.A O no hydrogen 3.076 N/A TRP 634.A NE1 ILE 337.A O no hydrogen 2.919 N/A LYS 635.A N SER 631.A O no hydrogen 3.072 N/A GLU 636.A N ASP 632.A O no hydrogen 2.968 N/A ASP 637.A N LEU 633.A O no hydrogen 3.170 N/A LEU 638.A N TRP 634.A O no hydrogen 2.978 N/A ALA 639.A N LYS 635.A O no hydrogen 2.995 N/A ALA 640.A N GLU 636.A O no hydrogen 2.972 N/A PHE 641.A N ASP 637.A O no hydrogen 2.891 N/A VAL 642.A N LEU 638.A O no hydrogen 2.896 N/A GLU 643.A N ALA 639.A O no hydrogen 2.940 N/A GLU 644.A N ALA 640.A O no hydrogen 3.104 N/A LEU 645.A N PHE 641.A O no hydrogen 2.682 N/A ASP 646.A N VAL 642.A O no hydrogen 2.972 N/A LYS 647.A N GLU 643.A O no hydrogen 3.180 N/A VAL 648.A N GLU 644.A O no hydrogen 2.801 N/A GLU 649.A N LEU 645.A O no hydrogen 2.806 N/A SER 650.A N ASP 646.A O no hydrogen 2.956 N/A GLN 651.A N LYS 647.A O no hydrogen 3.013 N/A GLU 652.A N VAL 648.A O no hydrogen 3.120 N/A ARG 653.A N GLU 649.A O no hydrogen 3.306 N/A GLU 654.A N SER 650.A O no hydrogen 3.179 N/A ASP 655.A N GLN 651.A O no hydrogen 2.871 N/A