Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6u45_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 GLU 342.A OE2 no hydrogen 3.057 N/A VAL 6.A N ARG 2.A O no hydrogen 3.430 N/A ARG 8.A N LYS 4.A O no hydrogen 3.196 N/A VAL 9.A N MET 5.A O no hydrogen 3.050 N/A THR 10.A N VAL 6.A O no hydrogen 3.039 N/A THR 10.A OG1 VAL 6.A O no hydrogen 2.664 N/A THR 11.A N GLU 7.A O no hydrogen 2.994 N/A THR 11.A OG1 GLU 7.A O no hydrogen 2.937 N/A LEU 12.A N ARG 8.A O no hydrogen 3.059 N/A MET 13.A N VAL 9.A O no hydrogen 2.848 N/A LYS 15.A N LEU 12.A O no hydrogen 2.930 N/A PHE 18.A N LYS 15.A O no hydrogen 2.906 N/A ILE 19.A N PRO 16.A O no hydrogen 3.050 N/A ARG 20.A N LEU 87.A O no hydrogen 2.913 N/A ARG 20.A NE LEU 253.A O no hydrogen 2.799 N/A ARG 20.A NH1 ILE 250.A O no hydrogen 2.888 N/A ARG 20.A NH2 GLU 17.A O no hydrogen 3.248 N/A ARG 20.A NH2 ILE 19.A O no hydrogen 3.175 N/A ASN 21.A ND2 GLY 352.A O no hydrogen 3.216 N/A ILE 22.A N ASN 89.A O no hydrogen 2.898 N/A GLY 23.A N GLY 112.A O no hydrogen 2.907 N/A ILE 24.A N ILE 91.A O no hydrogen 2.912 N/A VAL 25.A N VAL 114.A O no hydrogen 3.108 N/A HIS 30.A N HIS 27.A O no hydrogen 3.319 N/A HIS 30.A NE2 GLU 121.A OE1 no hydrogen 2.889 N/A LYS 32.A NZ ALA 26.A O no hydrogen 3.440 N/A LYS 32.A NZ HIS 27.A O no hydrogen 3.212 N/A THR 33.A OG1 THR 69.A OG1 no hydrogen 2.887 N/A THR 33.A OG1 ASP 92.A OD1 no hydrogen 3.455 N/A THR 33.A OG1 ASP 92.A OD2 no hydrogen 2.571 N/A LEU 35.A N GLY 31.A O no hydrogen 3.083 N/A SER 36.A N LYS 32.A O no hydrogen 3.051 N/A SER 36.A OG LYS 32.A O no hydrogen 3.092 N/A ASP 37.A N THR 33.A O no hydrogen 3.005 N/A ASN 38.A N THR 34.A O no hydrogen 3.185 N/A ASN 38.A ND2 ALA 202.A O no hydrogen 2.811 N/A LEU 39.A N LEU 35.A O no hydrogen 2.981 N/A LEU 40.A N SER 36.A O no hydrogen 3.064 N/A ALA 41.A N ASP 37.A O no hydrogen 3.070 N/A GLY 42.A N ASN 38.A O no hydrogen 2.921 N/A ALA 43.A N LEU 39.A O no hydrogen 3.027 N/A GLY 44.A N ALA 41.A O no hydrogen 2.971 N/A MET 45.A N LEU 40.A O no hydrogen 3.205 N/A SER 47.A OG GLU 49.A OE2 no hydrogen 2.935 N/A LYS 48.A NZ ASP 37.A OD2 no hydrogen 3.161 N/A LEU 50.A N SER 47.A O no hydrogen 3.142 N/A ALA 51.A N LYS 48.A O no hydrogen 3.099 N/A GLY 52.A N GLU 342.A OE1 no hydrogen 3.234 N/A GLU 53.A N GLU 53.A OE2 no hydrogen 2.959 N/A GLN 54.A N ALA 51.A O no hydrogen 3.004 N/A LEU 55.A N GLY 52.A O no hydrogen 3.329 N/A MET 57.A N GLN 54.A O no hydrogen 3.278 N/A GLN 64.A NE2 GLU 63.A O no hydrogen 3.180 N/A LYS 65.A N GLU 61.A O no hydrogen 3.074 N/A THR 69.A OG1 THR 33.A OG1 no hydrogen 2.887 N/A SER 72.A N ASP 102.A OD2 no hydrogen 3.211 N/A ALA 73.A N ASP 92.A O no hydrogen 3.192 N/A VAL 75.A N LEU 90.A O no hydrogen 3.000 N/A SER 76.A N GLY 340.A O no hydrogen 3.326 N/A SER 76.A OG PHE 338.A O no hydrogen 2.530 N/A MET 77.A N ILE 88.A O no hydrogen 2.811 N/A HIS 79.A N TYR 86.A O no hydrogen 2.940 N/A HIS 79.A NE2 ASP 247.A OD1 no hydrogen 2.841 N/A TYR 81.A N LYS 84.A O no hydrogen 2.794 N/A LYS 84.A N TYR 81.A O no hydrogen 3.000 N/A TYR 86.A N HIS 79.A O no hydrogen 2.769 N/A LEU 87.A N PHE 18.A O no hydrogen 2.799 N/A ILE 88.A N MET 77.A O no hydrogen 2.764 N/A ASN 89.A N ARG 20.A O no hydrogen 2.735 N/A ASN 89.A ND2 ASN 21.A OD1 no hydrogen 2.977 N/A LEU 90.A N VAL 75.A O no hydrogen 2.824 N/A ILE 91.A N ILE 22.A O no hydrogen 3.037 N/A ASP 92.A N ALA 73.A O no hydrogen 3.101 N/A THR 93.A OG1 ILE 24.A O no hydrogen 2.924 N/A ASP 98.A N HIS 96.A ND1 no hydrogen 3.066 N/A PHE 99.A N HIS 96.A O no hydrogen 2.897 N/A GLY 100.A N VAL 97.A O no hydrogen 3.222 N/A ASP 102.A N PHE 99.A O no hydrogen 3.064 N/A THR 104.A N GLY 100.A O no hydrogen 3.165 N/A THR 104.A OG1 GLY 101.A O no hydrogen 2.885 N/A ARG 105.A N GLY 101.A O no hydrogen 3.088 N/A ARG 105.A NH1 ASP 415.A OD1 no hydrogen 3.499 N/A ALA 106.A N ASP 102.A O no hydrogen 3.047 N/A MET 107.A N VAL 103.A O no hydrogen 2.963 N/A ARG 108.A N THR 104.A O no hydrogen 3.208 N/A ARG 108.A NE GLU 137.A OE1 no hydrogen 3.052 N/A ARG 108.A NE GLU 137.A OE2 no hydrogen 3.334 N/A ARG 108.A NH1 GLU 379.A O no hydrogen 2.858 N/A ARG 108.A NH2 GLU 137.A OE2 no hydrogen 3.389 N/A ARG 108.A NH2 SER 380.A O no hydrogen 3.008 N/A ALA 109.A N ALA 106.A O no hydrogen 3.017 N/A VAL 110.A N ALA 106.A O no hydrogen 3.266 N/A ASP 111.A N ASN 21.A O no hydrogen 2.932 N/A GLY 112.A N ASN 21.A O no hydrogen 3.093 N/A ALA 113.A N VAL 140.A O no hydrogen 2.807 N/A VAL 114.A N GLY 23.A O no hydrogen 2.917 N/A VAL 115.A N ILE 142.A O no hydrogen 2.965 N/A VAL 116.A N VAL 25.A O no hydrogen 2.984 N/A VAL 117.A N PHE 144.A O no hydrogen 3.072 N/A ASP 118.A N HIS 30.A ND1 no hydrogen 3.181 N/A ALA 119.A N ASN 146.A O no hydrogen 3.012 N/A VAL 120.A N ASP 118.A OD1 no hydrogen 2.769 N/A GLY 122.A N ASP 118.A O no hydrogen 2.693 N/A MET 124.A N THR 127.A OG1 no hydrogen 3.089 N/A GLN 126.A N HIS 27.A ND1 no hydrogen 3.127 N/A GLN 126.A NE2 THR 688.A O no hydrogen 3.367 N/A THR 127.A N MET 124.A O no hydrogen 2.895 N/A THR 127.A OG1 MET 124.A O no hydrogen 3.189 N/A GLU 128.A N PRO 125.A O no hydrogen 3.168 N/A THR 129.A N PRO 125.A O no hydrogen 3.383 N/A THR 129.A OG1 PRO 125.A O no hydrogen 3.475 N/A VAL 130.A N GLN 126.A O no hydrogen 3.019 N/A LEU 131.A N THR 127.A O no hydrogen 3.289 N/A ARG 132.A N GLU 128.A O no hydrogen 3.005 N/A ARG 132.A NH2 GLU 128.A OE2 no hydrogen 3.255 N/A GLN 133.A N.A THR 129.A O no hydrogen 2.985 N/A GLN 133.A N.B THR 129.A O no hydrogen 2.964 N/A ALA 134.A N VAL 130.A O no hydrogen 2.979 N/A LEU 135.A N LEU 131.A O no hydrogen 3.094 N/A ARG 136.A N ARG 132.A O no hydrogen 3.000 N/A GLU 137.A N ALA 134.A O no hydrogen 3.082 N/A ASN 138.A N LEU 135.A O no hydrogen 2.986 N/A ASN 138.A ND2 GLU 262.A O no hydrogen 2.789 N/A VAL 139.A N ALA 134.A O no hydrogen 3.004 N/A VAL 140.A N ASP 111.A O no hydrogen 3.309 N/A ILE 142.A N ALA 113.A O no hydrogen 2.880 N/A PHE 144.A N VAL 115.A O no hydrogen 3.035 N/A ILE 145.A N ALA 198.A O no hydrogen 2.904 N/A ASN 146.A N VAL 117.A O no hydrogen 2.768 N/A ASN 146.A ND2 HIS 30.A O no hydrogen 3.028 N/A LYS 147.A NZ ASP 29.A O no hydrogen 2.996 N/A VAL 148.A N GLY 200.A O no hydrogen 3.150 N/A ARG 150.A N LYS 147.A O no hydrogen 2.989 N/A ARG 150.A NH2 GLU 154.A OE1 no hydrogen 3.265 N/A LEU 151.A N LYS 147.A O no hydrogen 3.250 N/A ILE 152.A N VAL 148.A O no hydrogen 3.233 N/A MET 153.A N ASP 149.A O no hydrogen 3.401 N/A GLU 154.A N ARG 150.A O no hydrogen 3.145 N/A LYS 156.A N ILE 152.A O no hydrogen 3.128 N/A THR 158.A OG1 ASP 161.A OD2 no hydrogen 2.778 N/A MET 162.A N THR 158.A O no hydrogen 3.088 N/A MET 162.A N PRO 159.A O no hydrogen 3.099 N/A GLN 163.A N PRO 159.A O no hydrogen 3.090 N/A ILE 164.A N GLN 160.A O no hydrogen 3.151 N/A ARG 165.A N ASP 161.A O no hydrogen 3.063 N/A ARG 165.A NH1 VAL 120.A O no hydrogen 3.292 N/A LEU 166.A N MET 162.A O no hydrogen 3.214 N/A GLY 167.A N GLN 163.A O no hydrogen 2.992 N/A ALA 168.A N ILE 164.A O no hydrogen 2.784 N/A VAL 169.A N ARG 165.A O no hydrogen 3.308 N/A ILE 170.A N LEU 166.A O no hydrogen 3.225 N/A ASP 171.A N GLY 167.A O no hydrogen 2.902 N/A LYS 172.A N ALA 168.A O no hydrogen 3.156 N/A ILE 173.A N VAL 169.A O no hydrogen 3.110 N/A ASN 174.A N ILE 170.A O no hydrogen 3.074 N/A ASN 174.A ND2 LEU 190.A O no hydrogen 3.448 N/A LYS 175.A N ASP 171.A O no hydrogen 2.966 N/A LEU 176.A N LYS 172.A O no hydrogen 3.168 N/A ILE 177.A N ILE 173.A O no hydrogen 3.184 N/A LYS 178.A N ASN 174.A O no hydrogen 3.022 N/A GLY 179.A N LYS 175.A O no hydrogen 3.002 N/A MET 180.A N LEU 176.A O no hydrogen 3.050 N/A MET 180.A N ILE 177.A O no hydrogen 3.095 N/A LYS 181.A N ILE 177.A O no hydrogen 2.934 N/A LYS 181.A NZ LEU 135.A O no hydrogen 3.202 N/A TYR 185.A N PRO 182.A O no hydrogen 3.486 N/A GLY 187.A N SER 184.A O no hydrogen 3.206 N/A LEU 188.A N SER 184.A O no hydrogen 3.294 N/A LEU 190.A N ASN 174.A OD1 no hydrogen 3.292 N/A LYS 196.A NZ ARG 189.A O no hydrogen 3.178 N/A ALA 198.A N LEU 143.A O no hydrogen 3.057 N/A PHE 199.A N ILE 208.A O no hydrogen 3.082 N/A GLY 200.A N ILE 145.A O no hydrogen 3.031 N/A SER 201.A N TRP 206.A O no hydrogen 3.045 N/A SER 201.A OG ASP 149.A OD1 no hydrogen 3.445 N/A ALA 202.A N ASN 146.A OD1 no hydrogen 2.865 N/A ASN 204.A N SER 201.A O no hydrogen 3.242 N/A ASN 204.A N SER 201.A OG no hydrogen 2.991 N/A ASN 204.A ND2 SER 201.A OG no hydrogen 3.256 N/A ASN 205.A N ALA 202.A O no hydrogen 3.352 N/A TRP 206.A N SER 201.A O no hydrogen 3.433 N/A TRP 206.A NE1 GLN 232.A OE1 no hydrogen 2.887 N/A ALA 207.A N CYS 239.A O no hydrogen 3.152 N/A ILE 208.A N PHE 199.A O no hydrogen 2.726 N/A MET 213.A N SER 209.A O no hydrogen 2.625 N/A LYS 214.A N VAL 210.A O no hydrogen 3.105 N/A LYS 215.A N PRO 211.A O no hydrogen 3.274 N/A THR 216.A N MET 213.A O no hydrogen 2.944 N/A THR 216.A OG1 PHE 212.A O no hydrogen 2.914 N/A GLY 217.A N MET 213.A O no hydrogen 2.618 N/A VAL 223.A N GLY 219.A O no hydrogen 3.123 N/A ILE 224.A N PHE 220.A O no hydrogen 3.095 N/A GLU 225.A N LYS 221.A O no hydrogen 3.148 N/A TYR 226.A N GLU 222.A O no hydrogen 3.029 N/A CYS 227.A N VAL 223.A O no hydrogen 3.300 N/A CYS 227.A SG VAL 223.A O no hydrogen 3.687 N/A MET 228.A N ILE 224.A O no hydrogen 3.056 N/A GLU 229.A N GLU 225.A O no hydrogen 2.966 N/A GLN 231.A N TYR 226.A O no hydrogen 2.912 N/A LYS 234.A N GLN 231.A O no hydrogen 2.834 N/A LEU 235.A N GLN 231.A O no hydrogen 3.263 N/A ALA 236.A N GLN 232.A O no hydrogen 3.212 N/A GLU 237.A N LYS 234.A O no hydrogen 3.268 N/A ARG 238.A NH1 TYR 226.A OH no hydrogen 3.463 N/A CYS 239.A N LEU 235.A O no hydrogen 3.109 N/A LEU 241.A N ASN 205.A O no hydrogen 3.202 N/A VAL 244.A N PRO 240.A O no hydrogen 3.166 N/A VAL 245.A N LEU 241.A O no hydrogen 3.049 N/A ASN 246.A N HIS 242.A O no hydrogen 2.851 N/A ASN 246.A ND2 HIS 79.A ND1 no hydrogen 3.519 N/A ASP 247.A N ALA 243.A O no hydrogen 3.079 N/A MET 248.A N VAL 244.A O no hydrogen 3.115 N/A VAL 249.A N VAL 245.A O no hydrogen 2.935 N/A ILE 250.A N ASN 246.A O no hydrogen 3.046 N/A ARG 251.A N.A ASP 247.A O no hydrogen 2.797 N/A ARG 251.A N.B ASP 247.A O no hydrogen 2.812 N/A PHE 252.A N MET 248.A O no hydrogen 2.964 N/A LEU 253.A N VAL 249.A O no hydrogen 2.941 N/A ASN 255.A N GLN 258.A OE1 no hydrogen 3.060 N/A ASN 255.A ND2 GLU 17.A O no hydrogen 3.107 N/A ASN 255.A ND2 GLU 17.A OE1 no hydrogen 3.170 N/A GLN 258.A N ASN 255.A O no hydrogen 3.175 N/A GLN 258.A N ASN 255.A OD1 no hydrogen 2.904 N/A ALA 259.A N ASN 255.A O no hydrogen 3.285 N/A GLN 260.A N PRO 256.A O no hydrogen 3.113 N/A GLN 260.A NE2 MET 280.A O no hydrogen 2.612 N/A GLN 260.A NE2 PHE 311.A O no hydrogen 3.204 N/A LYS 261.A NZ VAL 257.A O no hydrogen 3.472 N/A LYS 261.A NZ GLN 258.A O no hydrogen 2.666 N/A GLU 262.A N ALA 259.A O no hydrogen 3.030 N/A ARG 263.A N ALA 259.A O no hydrogen 3.068 N/A ARG 263.A NE GLU 137.A O no hydrogen 2.876 N/A ARG 263.A NH1 ARG 108.A O no hydrogen 3.176 N/A ARG 263.A NH1 ASP 111.A OD1 no hydrogen 3.127 N/A ARG 263.A NH2 ARG 108.A O no hydrogen 2.790 N/A ARG 263.A NH2 GLU 137.A OE1 no hydrogen 2.993 N/A ILE 264.A N GLN 260.A O no hydrogen 3.190 N/A LYS 265.A NZ GLU 262.A OE1 no hydrogen 3.254 N/A VAL 266.A N ARG 263.A O no hydrogen 3.025 N/A ILE 267.A N ARG 263.A O no hydrogen 3.094 N/A TRP 268.A N ILE 264.A O no hydrogen 3.129 N/A TRP 268.A NE1 VAL 376.A O no hydrogen 2.741 N/A HIS 269.A ND1 SER 506.A OG no hydrogen 3.009 N/A LYS 272.A NZ TRP 268.A O no hydrogen 3.549 N/A GLY 273.A N ASP 271.A OD1 no hydrogen 3.113 N/A SER 274.A N ASP 271.A O no hydrogen 3.272 N/A SER 274.A OG ASP 271.A O no hydrogen 2.728 N/A GLY 277.A N SER 274.A OG no hydrogen 3.108 N/A LYS 278.A N SER 274.A O no hydrogen 3.025 N/A SER 279.A N GLU 275.A O no hydrogen 3.017 N/A SER 279.A OG SER 312.A OG no hydrogen 2.502 N/A MET 280.A N ILE 276.A O no hydrogen 2.932 N/A ALA 281.A N GLY 277.A O no hydrogen 3.220 N/A VAL 283.A N MET 280.A O no hydrogen 3.313 N/A ASP 284.A N SER 279.A O no hydrogen 3.293 N/A ASN 286.A N ASP 284.A OD1 no hydrogen 2.782 N/A GLY 287.A N ASP 284.A O no hydrogen 3.390 N/A LYS 288.A NZ ASP 372.A OD1 no hydrogen 3.462 N/A LYS 288.A NZ ASP 372.A OD2 no hydrogen 3.136 N/A VAL 289.A N THR 371.A OG1 no hydrogen 3.132 N/A ALA 290.A N SER 312.A O no hydrogen 3.089 N/A LEU 291.A N ALA 369.A O no hydrogen 2.764 N/A MET 292.A N ARG 309.A O no hydrogen 2.885 N/A ILE 293.A N SER 367.A O no hydrogen 3.132 N/A THR 294.A N THR 307.A O no hydrogen 2.816 N/A THR 294.A OG1 THR 307.A O no hydrogen 3.401 N/A ASP 295.A N THR 307.A O no hydrogen 3.080 N/A SER 297.A N VAL 305.A O no hydrogen 3.049 N/A THR 298.A OG1 GLU 414.A OE2 no hydrogen 2.563 N/A ASP 299.A N GLY 303.A O no hydrogen 2.650 N/A HIS 301.A N ASP 299.A OD2 no hydrogen 2.916 N/A ALA 302.A N ASP 299.A OD2 no hydrogen 2.891 N/A GLY 303.A N ASP 299.A O no hydrogen 3.246 N/A VAL 305.A N SER 297.A O no hydrogen 2.756 N/A ALA 306.A N VAL 357.A O no hydrogen 2.897 N/A THR 307.A N ASP 295.A O no hydrogen 2.900 N/A GLY 308.A N VAL 355.A O no hydrogen 3.052 N/A ARG 309.A N MET 292.A O no hydrogen 2.818 N/A ARG 309.A NH1 ALA 109.A O no hydrogen 2.604 N/A ARG 309.A NH1 ASP 111.A OD1 no hydrogen 2.779 N/A ARG 309.A NH1 ASP 111.A OD2 no hydrogen 3.275 N/A ARG 309.A NH2 ASP 111.A OD1 no hydrogen 3.340 N/A ARG 309.A NH2 ASP 111.A OD2 no hydrogen 2.636 N/A ARG 309.A NH2 GLN 260.A OE1 no hydrogen 3.321 N/A LEU 310.A N ASN 353.A O no hydrogen 3.181 N/A PHE 311.A N ALA 290.A O no hydrogen 2.942 N/A SER 312.A OG SER 279.A OG no hydrogen 2.502 N/A SER 312.A OG LYS 288.A O no hydrogen 2.577 N/A GLY 313.A N ASP 284.A O no hydrogen 3.014 N/A THR 314.A OG1 PRO 285.A O no hydrogen 2.894 N/A LEU 315.A N ILE 349.A O no hydrogen 2.955 N/A GLY 318.A N ILE 332.A O no hydrogen 2.673 N/A LYS 319.A N GLU 316.A O no hydrogen 3.280 N/A LYS 319.A NZ THR 314.A O no hydrogen 3.177 N/A VAL 321.A N ASN 330.A O no hydrogen 2.934 N/A TYR 322.A N SER 370.A O no hydrogen 2.964 N/A SER 324.A N THR 368.A O no hydrogen 2.939 N/A SER 324.A OG THR 368.A O no hydrogen 3.563 N/A MET 326.A N ILE 323.A O no hydrogen 3.000 N/A ASN 330.A N VAL 321.A O no hydrogen 2.755 N/A ASN 330.A ND2 ASN 328.A O no hydrogen 3.135 N/A ASN 330.A ND2 ASP 362.A OD2 no hydrogen 3.060 N/A ILE 332.A N LYS 319.A O no hydrogen 3.019 N/A GLN 333.A N THR 358.A O no hydrogen 2.834 N/A GLN 334.A N THR 358.A OG1 no hydrogen 3.227 N/A GLY 336.A N ALA 356.A O no hydrogen 2.875 N/A LEU 337.A N ILE 344.A O no hydrogen 3.104 N/A MET 339.A N GLU 342.A O no hydrogen 2.901 N/A GLY 340.A N SER 76.A O no hydrogen 3.219 N/A GLU 342.A N MET 339.A O no hydrogen 3.184 N/A ARG 343.A N GLU 53.A OE1 no hydrogen 3.452 N/A ILE 344.A N LEU 337.A O no hydrogen 2.971 N/A VAL 346.A N VAL 335.A O no hydrogen 3.036 N/A ARG 348.A NH1 ASP 14.A OD2 no hydrogen 3.257 N/A ILE 349.A N LEU 315.A O no hydrogen 2.996 N/A THR 350.A OG1 ASP 14.A OD1 no hydrogen 3.288 N/A ALA 351.A N GLY 313.A O no hydrogen 2.902 N/A GLY 352.A N LEU 310.A O no hydrogen 2.822 N/A ASN 353.A ND2 MET 13.A O no hydrogen 3.092 N/A ASN 353.A ND2 THR 350.A O no hydrogen 2.868 N/A VAL 355.A N GLY 308.A O no hydrogen 2.926 N/A ALA 356.A N GLY 336.A O no hydrogen 3.007 N/A VAL 357.A N ALA 306.A O no hydrogen 2.814 N/A THR 358.A N GLN 334.A O no hydrogen 2.978 N/A ASP 362.A N ASN 330.A OD1 no hydrogen 2.791 N/A ALA 363.A N LEU 360.A O no hydrogen 3.069 N/A ILE 364.A N SER 367.A OG no hydrogen 3.065 N/A GLY 366.A N ILE 293.A O no hydrogen 2.934 N/A SER 367.A N ILE 364.A O no hydrogen 3.016 N/A SER 367.A OG ILE 364.A O no hydrogen 3.089 N/A THR 368.A N SER 324.A OG no hydrogen 3.075 N/A ALA 369.A N LEU 291.A O no hydrogen 2.969 N/A SER 370.A N TYR 322.A O no hydrogen 3.122 N/A SER 370.A OG ASP 372.A O no hydrogen 2.913 N/A THR 371.A N VAL 289.A O no hydrogen 3.360 N/A MET 375.A N ASP 372.A O no hydrogen 3.344 N/A PHE 378.A N THR 368.A OG1 no hydrogen 3.031 N/A GLU 379.A N ILE 267.A O no hydrogen 2.747 N/A VAL 388.A N GLY 433.A O no hydrogen 3.073 N/A VAL 389.A N GLY 433.A O no hydrogen 3.363 N/A THR 390.A N LEU 460.A O no hydrogen 2.830 N/A VAL 391.A N LEU 431.A O no hydrogen 2.976 N/A ALA 392.A N SER 457.A OG no hydrogen 2.997 N/A VAL 393.A N HIS 429.A O no hydrogen 2.651 N/A GLU 394.A N THR 455.A O no hydrogen 3.019 N/A LYS 396.A N GLU 453.A O no hydrogen 2.854 N/A ASP 400.A N HIS 397.A O no hydrogen 2.992 N/A LEU 401.A N MET 398.A O no hydrogen 3.285 N/A LYS 403.A NZ LYS 450.A O no hydrogen 3.248 N/A LEU 404.A N ASP 400.A O no hydrogen 3.088 N/A VAL 405.A N LEU 401.A O no hydrogen 3.379 N/A GLU 406.A N PRO 402.A O no hydrogen 3.033 N/A VAL 407.A N LYS 403.A O no hydrogen 2.709 N/A LEU 408.A N LEU 404.A O no hydrogen 2.862 N/A ARG 409.A N VAL 405.A O no hydrogen 3.139 N/A ARG 409.A N GLU 406.A O no hydrogen 3.093 N/A GLN 410.A N GLU 406.A O no hydrogen 3.219 N/A GLN 410.A NE2 GLU 304.A OE1 no hydrogen 3.299 N/A VAL 411.A N VAL 407.A O no hydrogen 3.079 N/A ALA 412.A N LEU 408.A O no hydrogen 3.196 N/A LYS 413.A N ARG 409.A O no hydrogen 3.121 N/A LYS 413.A NZ GLU 304.A OE1 no hydrogen 3.308 N/A LYS 413.A NZ GLU 304.A OE2 no hydrogen 3.494 N/A GLU 414.A N GLN 410.A O no hydrogen 3.076 N/A ASP 415.A N VAL 411.A O no hydrogen 3.143 N/A THR 417.A N ASP 415.A OD1 no hydrogen 3.254 N/A THR 417.A OG1 ASP 415.A OD1 no hydrogen 3.126 N/A LEU 418.A N ASP 415.A O no hydrogen 3.198 N/A LYS 419.A N ALA 432.A O no hydrogen 2.928 N/A LYS 419.A NZ PRO 416.A O no hydrogen 3.058 N/A THR 421.A N LEU 430.A O no hydrogen 3.026 N/A ASN 423.A N HIS 429.A ND1 no hydrogen 3.093 N/A GLU 425.A N ASN 423.A OD1 no hydrogen 3.013 N/A GLY 427.A N ASN 423.A O no hydrogen 3.056 N/A HIS 429.A N VAL 393.A O no hydrogen 3.040 N/A LEU 430.A N THR 421.A O no hydrogen 2.988 N/A LEU 431.A N VAL 391.A O no hydrogen 2.764 N/A ALA 432.A N LYS 419.A O no hydrogen 2.903 N/A GLY 433.A N VAL 389.A O no hydrogen 2.832 N/A MET 434.A N HIS 438.A ND1 no hydrogen 3.072 N/A HIS 438.A N ASP 98.A OD2 no hydrogen 3.220 N/A HIS 438.A NE2 ASP 415.A OD2 no hydrogen 3.080 N/A LEU 439.A N GLY 435.A O no hydrogen 3.347 N/A GLU 440.A N GLU 436.A O no hydrogen 2.923 N/A ILE 441.A N LEU 437.A O no hydrogen 2.890 N/A VAL 442.A N HIS 438.A O no hydrogen 3.220 N/A ALA 443.A N LEU 439.A O no hydrogen 2.982 N/A HIS 444.A N GLU 440.A O no hydrogen 2.959 N/A ARG 445.A N ILE 441.A O no hydrogen 3.091 N/A ARG 445.A N VAL 442.A O no hydrogen 3.204 N/A ARG 445.A NE GLU 63.A OE2 no hydrogen 3.457 N/A ARG 445.A NH1 ASP 71.A OD2 no hydrogen 3.221 N/A ARG 445.A NH2 ASP 71.A OD2 no hydrogen 2.852 N/A ILE 446.A N VAL 442.A O no hydrogen 3.090 N/A GLN 447.A N ALA 443.A O no hydrogen 3.228 N/A ARG 448.A N ARG 445.A O no hydrogen 3.135 N/A ARG 448.A NE ASP 449.A OD1 no hydrogen 2.825 N/A ARG 448.A NH2 ASP 449.A OD1 no hydrogen 3.255 N/A ASP 449.A N ARG 445.A O no hydrogen 2.694 N/A LYS 450.A N ARG 445.A O no hydrogen 3.452 N/A VAL 452.A N ILE 446.A O no hydrogen 3.368 N/A ILE 454.A N GLN 447.A OE1 no hydrogen 2.640 N/A THR 455.A N GLU 394.A O no hydrogen 2.851 N/A SER 457.A N ALA 392.A O no hydrogen 2.996 N/A SER 457.A OG LYS 458.A O no hydrogen 3.291 N/A LEU 460.A N THR 390.A O no hydrogen 2.978 N/A VAL 462.A N VAL 388.A O no hydrogen 2.962 N/A TYR 463.A N GLU 573.A OE2 no hydrogen 2.832 N/A ARG 464.A N LEU 619.A O no hydrogen 3.040 N/A ARG 464.A NH1 PRO 387.A O no hydrogen 3.012 N/A ARG 464.A NH2 TYR 463.A O no hydrogen 2.980 N/A GLU 465.A N PRO 574.A O no hydrogen 2.938 N/A THR 466.A N THR 617.A O no hydrogen 3.105 N/A THR 466.A OG1 MET 576.A O no hydrogen 2.806 N/A SER 468.A N ALA 614.A O no hydrogen 3.238 N/A SER 468.A N GLY 615.A O no hydrogen 3.237 N/A SER 468.A OG GLY 615.A O no hydrogen 2.762 N/A ALA 469.A N ALA 614.A O no hydrogen 3.074 N/A HIS 470.A NE2 GLU 488.A OE1 no hydrogen 2.931 N/A ALA 471.A N ILE 489.A O no hydrogen 3.073 N/A VAL 474.A N ILE 487.A O no hydrogen 2.857 N/A GLY 476.A N PHE 485.A O no hydrogen 2.824 N/A SER 478.A N ASN 483.A O no hydrogen 3.083 N/A SER 478.A OG ASN 480.A OD1 no hydrogen 3.055 N/A SER 478.A OG ASN 483.A O no hydrogen 3.253 N/A ASN 480.A N GLN 598.A OE1 no hydrogen 2.739 N/A ASN 480.A ND2 HIS 593.A O no hydrogen 3.185 N/A ARG 481.A N SER 478.A O no hydrogen 2.843 N/A HIS 482.A N ASN 480.A OD1 no hydrogen 2.797 N/A ASN 483.A N SER 478.A OG no hydrogen 2.996 N/A ASN 483.A ND2 HIS 593.A O no hydrogen 2.967 N/A ARG 484.A N LYS 586.A O no hydrogen 2.965 N/A ARG 484.A NE TYR 486.A OH no hydrogen 3.009 N/A PHE 485.A N GLY 476.A O no hydrogen 2.907 N/A TYR 486.A N ASP 584.A O no hydrogen 3.116 N/A TYR 486.A OH GLU 475.A OE1 no hydrogen 3.399 N/A ILE 487.A N VAL 474.A O no hydrogen 2.895 N/A GLU 488.A N LYS 581.A O no hydrogen 2.974 N/A ILE 489.A N ALA 471.A O no hydrogen 3.056 N/A GLU 490.A N LYS 579.A O no hydrogen 3.216 N/A LEU 492.A N GLY 577.A O no hydrogen 2.864 N/A PHE 497.A N GLN 493.A O no hydrogen 2.768 N/A GLU 498.A N PRO 494.A O no hydrogen 2.925 N/A LEU 499.A N ALA 495.A O no hydrogen 3.260 N/A VAL 500.A N ILE 496.A O no hydrogen 3.086 N/A ARG 501.A N PHE 497.A O no hydrogen 2.919 N/A ARG 501.A NE GLU 498.A OE1 no hydrogen 3.461 N/A ARG 501.A NH2 GLU 498.A OE1 no hydrogen 2.879 N/A ASN 502.A N GLU 498.A O no hydrogen 2.889 N/A ASN 502.A ND2 GLU 504.A OE2 no hydrogen 3.558 N/A GLY 503.A N VAL 500.A O no hydrogen 3.274 N/A GLU 504.A N LEU 499.A O no hydrogen 3.050 N/A SER 506.A N GLN 509.A OE1 no hydrogen 3.183 N/A SER 506.A OG HIS 269.A ND1 no hydrogen 3.009 N/A LYS 508.A N SER 506.A OG no hydrogen 2.816 N/A LYS 508.A NZ GLU 379.A OE1 no hydrogen 3.061 N/A GLN 509.A N SER 506.A O no hydrogen 3.324 N/A GLN 509.A NE2 GLU 504.A O no hydrogen 3.206 N/A ARG 514.A N GLN 510.A O no hydrogen 2.943 N/A ARG 514.A NH1 SER 506.A O no hydrogen 3.183 N/A ARG 514.A NH1 GLN 509.A O no hydrogen 3.327 N/A ARG 515.A N GLU 511.A O no hydrogen 2.877 N/A ARG 515.A NH1 GLU 511.A OE2 no hydrogen 3.377 N/A ASP 516.A N VAL 512.A O no hydrogen 3.054 N/A ILE 517.A N GLU 513.A O no hydrogen 3.358 N/A LEU 518.A N ARG 514.A O no hydrogen 3.091 N/A MET 519.A N ARG 515.A O no hydrogen 2.839 N/A LYS 520.A N ASP 516.A O no hydrogen 2.932 N/A ALA 521.A N LEU 518.A O no hydrogen 3.069 N/A GLY 522.A N MET 519.A O no hydrogen 3.201 N/A MET 523.A N LEU 518.A O no hydrogen 3.203 N/A GLU 526.A N GLU 526.A OE1 no hydrogen 2.384 N/A ALA 528.A N SER 524.A O no hydrogen 3.018 N/A LYS 529.A N LYS 525.A O no hydrogen 2.990 N/A GLY 530.A N GLU 526.A O no hydrogen 3.083 N/A GLY 530.A N GLU 527.A O no hydrogen 3.177 N/A THR 532.A N PHE 540.A O no hydrogen 3.058 N/A THR 532.A OG1 PHE 540.A O no hydrogen 3.383 N/A HIS 533.A NE2 GLU 562.A OE1 no hydrogen 2.769 N/A SER 535.A N ASN 538.A O no hydrogen 3.092 N/A SER 535.A OG GLU 562.A OE1 no hydrogen 2.668 N/A SER 535.A OG GLU 562.A OE2 no hydrogen 2.638 N/A ASN 537.A ND2 GLU 386.A OE1 no hydrogen 3.109 N/A ASN 538.A N SER 535.A O no hydrogen 2.930 N/A ASN 538.A ND2 SER 535.A O no hydrogen 3.599 N/A ASN 538.A ND2 VAL 575.A O no hydrogen 3.037 N/A ILE 539.A N LEU 578.A O no hydrogen 2.993 N/A PHE 540.A N HIS 533.A O no hydrogen 3.024 N/A ILE 541.A N VAL 580.A O no hydrogen 2.720 N/A ASP 542.A N GLY 530.A O no hydrogen 2.884 N/A MET 543.A N LEU 582.A O no hydrogen 2.844 N/A THR 544.A N ASP 542.A OD1 no hydrogen 2.847 N/A THR 544.A OG1 ASP 542.A OD1 no hydrogen 2.776 N/A LEU 550.A N ILE 547.A O no hydrogen 3.096 N/A GLU 552.A N GLU 552.A OE2 no hydrogen 3.138 N/A THR 553.A N LEU 550.A O no hydrogen 2.898 N/A THR 553.A OG1 TYR 549.A O no hydrogen 2.581 N/A MET 554.A N ASN 551.A O no hydrogen 3.472 N/A LEU 556.A N THR 553.A O no hydrogen 2.941 N/A VAL 557.A N THR 553.A O no hydrogen 3.221 N/A LEU 558.A N MET 554.A O no hydrogen 2.802 N/A GLU 559.A N GLU 555.A O no hydrogen 3.107 N/A GLY 560.A N LEU 556.A O no hydrogen 3.269 N/A PHE 561.A N VAL 557.A O no hydrogen 3.100 N/A GLU 562.A N LEU 558.A O no hydrogen 2.887 N/A GLU 563.A N GLU 559.A O no hydrogen 2.998 N/A VAL 564.A N GLY 560.A O no hydrogen 3.334 N/A VAL 564.A N PHE 561.A O no hydrogen 3.129 N/A ILE 565.A N PHE 561.A O no hydrogen 3.115 N/A LYS 566.A N GLU 562.A O no hydrogen 3.144 N/A GLY 567.A N VAL 564.A O no hydrogen 2.997 N/A GLY 568.A N GLU 573.A O no hydrogen 2.804 N/A LEU 570.A N GLU 465.A OE1 no hydrogen 2.974 N/A SER 571.A N GLU 465.A OE2 no hydrogen 2.629 N/A SER 571.A OG GLU 465.A OE2 no hydrogen 2.906 N/A ARG 572.A N GLY 568.A O no hydrogen 2.785 N/A GLU 573.A N GLU 465.A OE2 no hydrogen 3.302 N/A VAL 575.A N ILE 565.A O no hydrogen 3.011 N/A MET 576.A N GLU 465.A O no hydrogen 3.041 N/A GLY 577.A N ASN 537.A O no hydrogen 2.944 N/A LEU 578.A N ASN 538.A OD1 no hydrogen 2.839 N/A LYS 579.A N GLU 490.A O no hydrogen 2.802 N/A LYS 579.A NZ GLU 527.A OE1 no hydrogen 2.773 N/A VAL 580.A N ILE 539.A O no hydrogen 3.005 N/A LYS 581.A N GLU 488.A O no hydrogen 2.928 N/A LYS 581.A NZ GLU 527.A OE2 no hydrogen 2.918 N/A LEU 582.A N ILE 541.A O no hydrogen 2.839 N/A MET 583.A N TYR 486.A O no hydrogen 2.896 N/A LYS 586.A N ARG 484.A O no hydrogen 2.901 N/A HIS 588.A N ASN 483.A OD1 no hydrogen 3.025 N/A ASP 590.A N HIS 588.A ND1 no hydrogen 3.055 N/A HIS 593.A N ASP 590.A O no hydrogen 2.999 N/A ARG 594.A N SER 591.A O no hydrogen 3.160 N/A ARG 594.A NE HIS 588.A O no hydrogen 2.793 N/A ARG 594.A NH1 GLU 589.A O no hydrogen 3.150 N/A GLN 598.A N GLY 595.A O no hydrogen 2.890 N/A VAL 599.A N GLY 595.A O no hydrogen 2.974 N/A ILE 600.A N PRO 596.A O no hydrogen 3.366 N/A SER 603.A N VAL 599.A O no hydrogen 2.913 N/A SER 603.A OG VAL 557.A O no hydrogen 2.918 N/A ARG 604.A N ILE 600.A O no hydrogen 2.895 N/A ARG 604.A NH2 GLU 563.A OE1 no hydrogen 3.271 N/A GLN 605.A N PRO 601.A O no hydrogen 3.033 N/A ALA 606.A N ALA 602.A O no hydrogen 3.094 N/A ILE 607.A N SER 603.A O no hydrogen 3.195 N/A GLN 608.A N ARG 604.A O no hydrogen 3.227 N/A ALA 609.A N GLN 605.A O no hydrogen 3.044 N/A ALA 610.A N ALA 606.A O no hydrogen 2.986 N/A MET 611.A N ILE 607.A O no hydrogen 2.967 N/A LEU 612.A N GLN 608.A O no hydrogen 3.275 N/A MET 613.A N ALA 609.A O no hydrogen 3.076 N/A ALA 614.A N ALA 610.A O no hydrogen 2.948 N/A ALA 614.A N MET 611.A O no hydrogen 3.164 N/A THR 617.A N THR 466.A O no hydrogen 3.026 N/A THR 617.A OG1 LEU 618.A O no hydrogen 3.123 N/A LEU 619.A N ARG 464.A O no hydrogen 2.714 N/A GLU 620.A N GLU 694.A O no hydrogen 2.800 N/A PHE 622.A N GLY 692.A O no hydrogen 2.831 N/A GLN 623.A N ALA 664.A O no hydrogen 2.809 N/A LYS 624.A N GLU 689.A O no hydrogen 2.748 N/A LYS 624.A NZ GLU 661.A OE2 no hydrogen 2.720 N/A VAL 625.A N ALA 662.A O no hydrogen 2.830 N/A PHE 626.A N SER 687.A O no hydrogen 2.887 N/A ILE 627.A N ILE 660.A O no hydrogen 2.903 N/A HIS 628.A N MET 685.A O no hydrogen 2.677 N/A VAL 629.A N THR 658.A O no hydrogen 3.069 N/A GLN 631.A N ASP 656.A O no hydrogen 3.140 N/A GLN 633.A N PRO 630.A O no hydrogen 2.940 N/A GLN 633.A NE2 GLU 681.A OE2 no hydrogen 3.213 N/A MET 634.A N GLN 631.A O no hydrogen 3.020 N/A ALA 637.A N GLN 633.A O no hydrogen 3.256 N/A MET 638.A N MET 634.A O no hydrogen 2.938 N/A ARG 639.A N GLY 635.A O no hydrogen 3.069 N/A GLU 640.A N GLY 636.A O no hydrogen 3.158 N/A ILE 641.A N ALA 637.A O no hydrogen 3.189 N/A GLN 642.A N MET 638.A O no hydrogen 3.030 N/A GLY 643.A N ARG 639.A O no hydrogen 2.915 N/A ARG 644.A N ILE 641.A O no hydrogen 3.040 N/A ARG 644.A NE GLU 640.A OE2 no hydrogen 3.134 N/A ARG 644.A NH1 GLN 668.A O no hydrogen 2.838 N/A ARG 644.A NH1 PHE 670.A O no hydrogen 3.130 N/A ARG 645.A NH1 GLU 620.A OE2 no hydrogen 2.429 N/A ARG 645.A NH2 GLU 620.A OE1 no hydrogen 3.503 N/A ALA 647.A N LYS 663.A O no hydrogen 2.938 N/A LEU 649.A N GLU 661.A O no hydrogen 2.734 N/A ASP 650.A N GLU 661.A O no hydrogen 3.104 N/A MET 651.A N ASP 650.A OD1 no hydrogen 3.007 N/A LYS 652.A N ILE 659.A O no hydrogen 2.911 N/A LYS 652.A NZ GLU 661.A OE1 no hydrogen 3.518 N/A THR 653.A OG1 THR 658.A OG1 no hydrogen 2.977 N/A GLU 654.A N THR 657.A O no hydrogen 2.973 N/A THR 657.A N GLU 654.A O no hydrogen 3.158 N/A THR 657.A OG1 GLU 654.A O no hydrogen 2.819 N/A THR 658.A N VAL 629.A O no hydrogen 2.925 N/A THR 658.A OG1 THR 653.A OG1 no hydrogen 2.977 N/A ILE 659.A N LYS 652.A O no hydrogen 2.636 N/A ILE 660.A N ILE 627.A O no hydrogen 2.855 N/A GLU 661.A N ASP 650.A O no hydrogen 2.904 N/A ALA 662.A N VAL 625.A O no hydrogen 2.957 N/A LYS 663.A N ALA 647.A O no hydrogen 2.922 N/A LYS 663.A NZ GLU 694.A OE1 no hydrogen 2.837 N/A ALA 664.A N GLN 623.A O no hydrogen 2.964 N/A VAL 666.A N PRO 621.A O no hydrogen 2.967 N/A GLN 668.A N PRO 665.A O no hydrogen 2.936 N/A LEU 669.A N VAL 666.A O no hydrogen 2.900 N/A ASP 675.A N GLY 671.A O no hydrogen 3.197 N/A ILE 676.A N PHE 672.A O no hydrogen 2.765 N/A SER 678.A N GLY 674.A O no hydrogen 3.201 N/A SER 678.A OG GLY 674.A O no hydrogen 3.110 N/A SER 678.A OG ASP 675.A O no hydrogen 3.104 N/A ALA 679.A N ASP 675.A O no hydrogen 3.077 N/A THR 680.A N ARG 677.A O no hydrogen 2.928 N/A THR 680.A OG1 ILE 676.A O no hydrogen 2.841 N/A GLY 682.A N ARG 677.A O no hydrogen 2.994 N/A ARG 683.A N THR 680.A O no hydrogen 2.788 N/A ALA 684.A N THR 680.A OG1 no hydrogen 3.019 N/A MET 685.A N HIS 628.A O no hydrogen 3.055 N/A SER 687.A N PHE 626.A O no hydrogen 3.062 N/A GLU 689.A N LYS 624.A O no hydrogen 2.845 N/A LEU 691.A N PHE 622.A O no hydrogen 3.084 N/A GLY 692.A N PHE 622.A O no hydrogen 3.472 N/A GLU 694.A N GLU 620.A O no hydrogen 3.025 N/A ILE 696.A N LEU 618.A O no hydrogen 3.205 N/A MET 700.A N PRO 697.A O no hydrogen 2.672 N/A THR 704.A N MET 700.A O no hydrogen 3.050 N/A THR 704.A OG1 MET 700.A O no hydrogen 2.726 N/A VAL 705.A N LEU 701.A O no hydrogen 2.807 N/A MET 706.A N ALA 702.A O no hydrogen 2.937 N/A GLY 707.A N GLU 703.A O no hydrogen 3.013 N/A ILE 708.A N THR 704.A O no hydrogen 3.231 N/A ARG 709.A N VAL 705.A O no hydrogen 2.998 N/A ARG 709.A NE LYS 715.A O no hydrogen 2.814 N/A ARG 709.A NH1 LEU 570.A O no hydrogen 2.364 N/A ARG 709.A NH2 LYS 715.A O no hydrogen 3.557 N/A GLN 710.A N MET 706.A O no hydrogen 2.904 N/A ARG 711.A N.A GLY 707.A O no hydrogen 3.102 N/A LYS 712.A N ILE 708.A O no hydrogen 2.983 N/A LYS 712.A NZ SER 571.A O no hydrogen 2.900 N/A LYS 712.A NZ GLU 573.A OE1 no hydrogen 2.913 N/A GLY 713.A N GLN 710.A O no hydrogen 2.881 N/A LEU 714.A N ARG 709.A O no hydrogen 2.928 N/A LYS 720.A N ASP 723.A OD2 no hydrogen 3.046 N/A LYS 720.A NZ SER 722.A OG no hydrogen 3.385 N/A LYS 720.A NZ ASP 723.A OD1 no hydrogen 2.916 N/A ASP 723.A N LYS 720.A O no hydrogen 2.969 N/A PHE 724.A N PRO 721.A O no hydrogen 3.119 N/A