Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1b3u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N ALA 2.A O no hydrogen 2.847 N/A ASP 7.A N ASP 4.A O no hydrogen 2.989 N/A SER 8.A N ASP 4.A O no hydrogen 2.437 N/A SER 8.A OG ASP 7.A O no hydrogen 2.467 N/A ALA 13.A N LEU 9.A O no hydrogen 3.251 N/A VAL 14.A N TYR 10.A O no hydrogen 2.955 N/A LEU 15.A N PRO 11.A O no hydrogen 2.818 N/A ILE 16.A N ILE 12.A O no hydrogen 2.622 N/A ASP 17.A N ALA 13.A O no hydrogen 2.860 N/A GLU 18.A N VAL 14.A O no hydrogen 3.281 N/A LEU 19.A N LEU 15.A O no hydrogen 3.173 N/A ARG 20.A N ASP 17.A O no hydrogen 2.720 N/A ASN 21.A N GLU 18.A O no hydrogen 3.098 N/A ASP 23.A N ASN 21.A OD1 no hydrogen 2.533 N/A GLN 25.A NE2 GLN 25.A O no hydrogen 3.305 N/A LEU 26.A N ASP 23.A O no hydrogen 2.942 N/A ARG 27.A N ASP 23.A O no hydrogen 3.131 N/A ARG 27.A NE ASP 60.A OD2 no hydrogen 2.839 N/A ARG 27.A NH2 ASP 60.A OD1 no hydrogen 2.888 N/A ARG 27.A NH2 ASP 60.A OD2 no hydrogen 3.493 N/A LEU 28.A N VAL 24.A O no hydrogen 2.909 N/A SER 30.A N LEU 26.A O no hydrogen 3.301 N/A ILE 31.A N ARG 27.A O no hydrogen 3.266 N/A LYS 32.A N LEU 28.A O no hydrogen 3.202 N/A LYS 33.A N ASN 29.A O no hydrogen 3.247 N/A LYS 33.A N SER 30.A O no hydrogen 2.799 N/A LYS 33.A NZ ASN 29.A O no hydrogen 3.401 N/A LEU 34.A N ILE 31.A O no hydrogen 3.008 N/A THR 36.A N LYS 33.A O no hydrogen 2.572 N/A THR 36.A OG1 LYS 33.A O no hydrogen 2.901 N/A ALA 38.A N LEU 34.A O no hydrogen 3.117 N/A LEU 39.A N SER 35.A O no hydrogen 2.683 N/A ALA 40.A N THR 36.A O no hydrogen 2.877 N/A LEU 41.A N ILE 37.A O no hydrogen 2.854 N/A THR 46.A N GLY 42.A O no hydrogen 2.855 N/A THR 46.A OG1 ALA 38.A O no hydrogen 3.321 N/A THR 46.A OG1 GLY 42.A O no hydrogen 2.591 N/A ARG 47.A N VAL 43.A O no hydrogen 3.273 N/A ARG 47.A NE VAL 43.A O no hydrogen 3.202 N/A SER 48.A N GLU 44.A O no hydrogen 3.265 N/A SER 48.A OG GLU 44.A O no hydrogen 2.941 N/A GLU 49.A N ARG 45.A O no hydrogen 2.750 N/A LEU 50.A N ARG 45.A O no hydrogen 3.393 N/A LEU 50.A N THR 46.A O no hydrogen 3.196 N/A LEU 51.A N THR 46.A O no hydrogen 3.091 N/A LEU 54.A N LEU 50.A O no hydrogen 2.995 N/A THR 55.A N LEU 51.A O no hydrogen 2.854 N/A THR 55.A N PRO 52.A O no hydrogen 3.201 N/A THR 55.A OG1 LEU 51.A O no hydrogen 3.030 N/A ASP 56.A N PRO 52.A O no hydrogen 3.378 N/A THR 57.A N PHE 53.A O no hydrogen 3.154 N/A THR 57.A OG1 PHE 53.A O no hydrogen 3.403 N/A THR 57.A OG1 ASP 56.A OD1 no hydrogen 2.826 N/A GLU 61.A N ASP 60.A OD1 no hydrogen 2.506 N/A VAL 64.A N GLU 61.A O no hydrogen 3.283 N/A LEU 65.A N GLU 61.A O no hydrogen 3.293 N/A LEU 66.A N ASP 62.A O no hydrogen 3.074 N/A ALA 67.A N GLU 63.A O no hydrogen 3.385 N/A LEU 68.A N VAL 64.A O no hydrogen 2.776 N/A ALA 69.A N LEU 65.A O no hydrogen 2.681 N/A GLU 70.A N LEU 66.A O no hydrogen 3.014 N/A GLN 71.A N ALA 67.A O no hydrogen 2.988 N/A LEU 72.A N LEU 68.A O no hydrogen 2.981 N/A GLY 73.A N GLU 70.A O no hydrogen 3.211 N/A THR 74.A N GLN 71.A O no hydrogen 2.842 N/A THR 74.A OG1 GLN 71.A O no hydrogen 2.847 N/A VAL 79.A N THR 76.A O no hydrogen 3.160 N/A GLY 80.A N THR 77.A O no hydrogen 2.929 N/A GLY 81.A N THR 76.A O no hydrogen 2.939 N/A TYR 84.A N GLY 81.A O no hydrogen 2.828 N/A VAL 85.A N PRO 82.A O no hydrogen 3.462 N/A CYS 87.A N TYR 84.A O no hydrogen 2.958 N/A CYS 87.A SG TYR 84.A O no hydrogen 3.232 N/A LEU 88.A N VAL 85.A O no hydrogen 2.790 N/A LEU 89.A N HIS 86.A O no hydrogen 2.960 N/A LEU 92.A N LEU 88.A O no hydrogen 3.230 N/A GLU 93.A N LEU 89.A O no hydrogen 2.649 N/A SER 94.A N PRO 90.A O no hydrogen 3.016 N/A SER 94.A OG THR 55.A O no hydrogen 3.529 N/A LEU 95.A N PRO 91.A O no hydrogen 3.156 N/A ALA 96.A N LEU 92.A O no hydrogen 3.005 N/A ALA 96.A N GLU 93.A O no hydrogen 3.219 N/A THR 97.A N SER 94.A O no hydrogen 3.278 N/A THR 97.A OG1 GLU 93.A O no hydrogen 3.142 N/A THR 101.A OG1 GLU 100.A OE2 no hydrogen 3.444 N/A VAL 102.A N GLU 100.A OE2 no hydrogen 3.006 N/A VAL 103.A N GLU 100.A O no hydrogen 2.793 N/A ARG 104.A N GLU 100.A O no hydrogen 3.168 N/A ARG 104.A NH1 VAL 98.A O no hydrogen 3.124 N/A ARG 104.A NH1 GLU 99.A O no hydrogen 2.577 N/A ASP 105.A N THR 101.A O no hydrogen 2.945 N/A LYS 106.A N VAL 102.A O no hydrogen 3.404 N/A LYS 106.A NZ GLU 109.A OE1 no hydrogen 2.839 N/A ALA 107.A N VAL 103.A O no hydrogen 3.114 N/A VAL 108.A N ARG 104.A O no hydrogen 3.041 N/A GLU 109.A N ASP 105.A O no hydrogen 2.889 N/A SER 110.A N LYS 106.A O no hydrogen 2.790 N/A SER 110.A OG ALA 69.A O no hydrogen 2.812 N/A SER 110.A OG LYS 106.A O no hydrogen 3.304 N/A LEU 111.A N ALA 107.A O no hydrogen 2.738 N/A ARG 112.A N VAL 108.A O no hydrogen 2.901 N/A ARG 112.A NH1 GLY 148.A O no hydrogen 3.165 N/A ARG 112.A NH1 GLU 190.A OE2 no hydrogen 3.135 N/A ALA 113.A N GLU 109.A O no hydrogen 3.050 N/A ILE 114.A N SER 110.A O no hydrogen 3.055 N/A SER 115.A N LEU 111.A O no hydrogen 3.130 N/A SER 115.A OG ARG 112.A O no hydrogen 2.612 N/A GLU 117.A N ILE 114.A O no hydrogen 2.689 N/A HIS 118.A N SER 115.A O no hydrogen 2.963 N/A ASP 122.A N SER 119.A OG no hydrogen 2.996 N/A LEU 123.A N SER 119.A O no hydrogen 2.997 N/A GLU 124.A N PRO 120.A O no hydrogen 3.440 N/A ALA 125.A N SER 121.A O no hydrogen 3.118 N/A HIS 126.A N ASP 122.A O no hydrogen 2.732 N/A PHE 127.A N ASP 122.A O no hydrogen 3.246 N/A VAL 128.A N LEU 123.A O no hydrogen 2.739 N/A LEU 130.A N HIS 126.A O no hydrogen 3.359 N/A VAL 131.A N PHE 127.A O no hydrogen 3.085 N/A LYS 132.A N VAL 128.A O no hydrogen 2.779 N/A LYS 132.A NZ GLU 164.A OE1 no hydrogen 3.094 N/A ARG 133.A N PRO 129.A O no hydrogen 2.921 N/A ARG 133.A NE GLU 93.A OE1 no hydrogen 3.397 N/A ARG 133.A NE GLU 93.A OE2 no hydrogen 3.493 N/A ARG 133.A NH2 GLU 93.A OE1 no hydrogen 2.590 N/A LEU 134.A N LEU 130.A O no hydrogen 2.952 N/A ALA 135.A N VAL 131.A O no hydrogen 2.945 N/A GLY 136.A N LYS 132.A O no hydrogen 3.032 N/A GLY 136.A N ARG 133.A O no hydrogen 3.149 N/A GLY 137.A N LEU 134.A O no hydrogen 3.088 N/A THR 141.A OG1 THR 97.A O no hydrogen 3.551 N/A SER 142.A N TRP 139.A O no hydrogen 2.883 N/A ARG 143.A NE ASP 175.A OD2 no hydrogen 2.670 N/A ARG 143.A NH1 GLY 137.A O no hydrogen 2.844 N/A ARG 143.A NH1 ASP 138.A O no hydrogen 3.558 N/A ARG 143.A NH2 ASP 175.A OD1 no hydrogen 3.262 N/A THR 144.A N PHE 140.A O no hydrogen 2.953 N/A THR 144.A OG1 PHE 140.A O no hydrogen 3.486 N/A THR 144.A OG1 THR 141.A O no hydrogen 2.744 N/A SER 145.A N THR 141.A O no hydrogen 3.206 N/A SER 145.A OG ALA 96.A O no hydrogen 2.920 N/A SER 145.A OG THR 141.A O no hydrogen 2.953 N/A ALA 146.A N SER 142.A O no hydrogen 3.154 N/A CYS 147.A SG ARG 143.A O no hydrogen 3.569 N/A GLY 148.A N SER 145.A O no hydrogen 3.266 N/A LEU 149.A N ALA 146.A O no hydrogen 2.781 N/A CYS 153.A SG LEU 149.A O no hydrogen 3.551 N/A CYS 153.A SG PHE 150.A O no hydrogen 3.828 N/A TYR 154.A N PHE 150.A O no hydrogen 3.142 N/A TYR 154.A OH GLU 196.A OE2 no hydrogen 2.411 N/A ARG 156.A NH1 HIS 118.A O no hydrogen 3.412 N/A ARG 156.A NH2 HIS 118.A O no hydrogen 2.881 N/A VAL 157.A N TYR 154.A O no hydrogen 3.481 N/A SER 158.A N GLU 124.A OE2 no hydrogen 3.305 N/A VAL 161.A N SER 158.A OG no hydrogen 3.112 N/A LYS 162.A N SER 158.A O no hydrogen 2.899 N/A LYS 162.A NZ TYR 154.A O no hydrogen 2.856 N/A LYS 162.A NZ PRO 155.A O no hydrogen 3.040 N/A ALA 163.A N SER 159.A O no hydrogen 3.157 N/A GLU 164.A N ALA 160.A O no hydrogen 3.359 N/A LEU 165.A N VAL 161.A O no hydrogen 2.910 N/A ARG 166.A N LYS 162.A O no hydrogen 2.940 N/A ARG 166.A NE GLU 203.A OE2 no hydrogen 3.182 N/A ARG 166.A NH1 TYR 154.A OH no hydrogen 2.793 N/A GLN 167.A N ALA 163.A O no hydrogen 3.271 N/A GLN 167.A NE2 ASN 171.A OD1 no hydrogen 2.834 N/A TYR 168.A N GLU 164.A O no hydrogen 3.067 N/A PHE 169.A N LEU 165.A O no hydrogen 3.007 N/A ARG 170.A N ARG 166.A O no hydrogen 3.072 N/A ARG 170.A NE GLN 167.A OE1 no hydrogen 3.099 N/A ARG 170.A NH1 GLU 203.A OE2 no hydrogen 3.336 N/A ARG 170.A NH2 GLN 167.A OE1 no hydrogen 2.711 N/A ASN 171.A N GLN 167.A O no hydrogen 3.111 N/A LEU 172.A N TYR 168.A O no hydrogen 3.165 N/A CYS 173.A N PHE 169.A O no hydrogen 2.966 N/A CYS 173.A SG PHE 169.A O no hydrogen 3.530 N/A SER 174.A N ARG 170.A O no hydrogen 3.225 N/A SER 174.A N ASN 171.A O no hydrogen 3.244 N/A SER 174.A OG ARG 170.A O no hydrogen 3.361 N/A SER 174.A OG ASN 171.A O no hydrogen 3.330 N/A ASP 175.A N LEU 172.A O no hydrogen 2.859 N/A THR 177.A N ASP 175.A OD1 no hydrogen 2.840 N/A THR 177.A OG1 ASP 175.A OD1 no hydrogen 3.376 N/A VAL 180.A N THR 177.A O no hydrogen 2.946 N/A ARG 181.A N THR 177.A O no hydrogen 3.089 N/A ARG 181.A NE ASP 214.A OD2 no hydrogen 2.729 N/A ARG 181.A NH1 ASP 175.A O no hydrogen 2.940 N/A ARG 181.A NH1 ASP 176.A O no hydrogen 3.060 N/A ARG 181.A NH2 ASP 214.A OD1 no hydrogen 3.188 N/A ARG 181.A NH2 ASP 214.A OD2 no hydrogen 3.517 N/A ARG 182.A N PRO 178.A O no hydrogen 2.795 N/A ALA 183.A N MET 179.A O no hydrogen 3.169 N/A ALA 184.A N VAL 180.A O no hydrogen 2.997 N/A ALA 185.A N ARG 181.A O no hydrogen 2.943 N/A SER 186.A N ARG 182.A O no hydrogen 3.020 N/A SER 186.A OG ALA 183.A O no hydrogen 2.546 N/A LYS 187.A N ALA 183.A O no hydrogen 3.279 N/A LYS 187.A N ALA 184.A O no hydrogen 3.021 N/A LEU 188.A N ALA 185.A O no hydrogen 3.339 N/A PHE 191.A N LYS 187.A O no hydrogen 3.018 N/A ALA 192.A N LEU 188.A O no hydrogen 2.981 N/A LYS 193.A N GLY 189.A O no hydrogen 3.090 N/A VAL 194.A N PHE 191.A O no hydrogen 3.199 N/A LEU 195.A N ALA 192.A O no hydrogen 3.178 N/A ASN 199.A N GLU 196.A O no hydrogen 2.985 N/A VAL 200.A N GLU 196.A O no hydrogen 3.255 N/A VAL 200.A N LEU 197.A O no hydrogen 2.902 N/A LYS 201.A N LEU 197.A O no hydrogen 2.961 N/A LYS 201.A NZ ASP 238.A OD2 no hydrogen 3.035 N/A SER 202.A N ASP 198.A O no hydrogen 3.155 N/A SER 202.A OG ASP 198.A O no hydrogen 2.764 N/A GLU 203.A N ASN 199.A O no hydrogen 2.725 N/A ILE 204.A N ASN 199.A O no hydrogen 3.153 N/A ILE 205.A N VAL 200.A O no hydrogen 3.116 N/A MET 207.A N GLU 203.A O no hydrogen 3.427 N/A PHE 208.A N ILE 204.A O no hydrogen 2.779 N/A SER 209.A N ILE 205.A O no hydrogen 2.773 N/A ASN 210.A N PRO 206.A O no hydrogen 3.060 N/A LEU 211.A N MET 207.A O no hydrogen 3.065 N/A ALA 212.A N PHE 208.A O no hydrogen 3.004 N/A SER 213.A N ASN 210.A O no hydrogen 3.099 N/A SER 213.A OG SER 209.A O no hydrogen 3.511 N/A SER 213.A OG ASN 210.A O no hydrogen 3.130 N/A ASP 214.A N LEU 211.A O no hydrogen 3.159 N/A GLN 216.A N ASP 214.A OD1 no hydrogen 2.736 N/A VAL 219.A N GLN 216.A O no hydrogen 2.842 N/A ARG 220.A N GLN 216.A O no hydrogen 3.059 N/A ARG 220.A NE ASP 253.A OD2 no hydrogen 2.686 N/A ARG 220.A NH1 ASP 214.A O no hydrogen 2.958 N/A ARG 220.A NH1 ASP 217.A OD1 no hydrogen 3.222 N/A ARG 220.A NH2 ASP 217.A OD1 no hydrogen 2.840 N/A ARG 220.A NH2 ASP 253.A OD1 no hydrogen 2.830 N/A ARG 220.A NH2 ASP 253.A OD2 no hydrogen 3.487 N/A LEU 221.A N ASP 217.A O no hydrogen 3.066 N/A LEU 222.A N VAL 219.A O no hydrogen 3.175 N/A ALA 223.A N ARG 220.A O no hydrogen 3.008 N/A CYS 227.A N ALA 223.A O no hydrogen 2.862 N/A VAL 228.A N VAL 224.A O no hydrogen 3.170 N/A ASN 229.A N GLU 225.A O no hydrogen 3.109 N/A ILE 230.A N ALA 226.A O no hydrogen 2.782 N/A ALA 231.A N CYS 227.A O no hydrogen 3.059 N/A GLN 232.A N VAL 228.A O no hydrogen 3.143 N/A LEU 233.A N ILE 230.A O no hydrogen 3.304 N/A LEU 234.A N ALA 231.A O no hydrogen 3.409 N/A GLU 237.A N GLU 237.A OE1 no hydrogen 2.489 N/A ASP 238.A N PRO 235.A O no hydrogen 2.955 N/A LEU 239.A N GLN 236.A O no hydrogen 3.356 N/A LEU 242.A N ASP 238.A O no hydrogen 2.817 N/A VAL 243.A N LEU 239.A O no hydrogen 2.699 N/A MET 244.A N LEU 239.A O no hydrogen 2.999 N/A LEU 247.A N VAL 243.A O no hydrogen 3.083 N/A ARG 248.A N MET 244.A O no hydrogen 2.889 N/A ARG 248.A NE ASP 281.A OD1 no hydrogen 2.919 N/A ARG 248.A NH1 GLU 240.A OE2 no hydrogen 3.166 N/A ARG 248.A NH2 GLU 240.A OE1 no hydrogen 3.416 N/A ARG 248.A NH2 GLU 240.A OE2 no hydrogen 2.934 N/A ARG 248.A NH2 ASP 281.A OD1 no hydrogen 2.856 N/A ARG 248.A NH2 ASP 281.A OD2 no hydrogen 2.891 N/A GLN 249.A N PRO 245.A O no hydrogen 3.129 N/A ALA 250.A N THR 246.A O no hydrogen 2.973 N/A ALA 250.A N LEU 247.A O no hydrogen 3.022 N/A ALA 251.A N LEU 247.A O no hydrogen 2.975 N/A GLU 252.A N ARG 248.A O no hydrogen 3.220 N/A ASP 253.A N ALA 250.A O no hydrogen 3.091 N/A SER 255.A N ASP 253.A OD1 no hydrogen 2.712 N/A ARG 257.A N SER 255.A OG no hydrogen 3.183 N/A VAL 258.A N SER 255.A O no hydrogen 3.102 N/A ARG 259.A N SER 255.A O no hydrogen 3.339 N/A ARG 259.A NE ASP 292.A OD2 no hydrogen 2.641 N/A ARG 259.A NH1 ASP 253.A O no hydrogen 2.748 N/A ARG 259.A NH1 LYS 254.A O no hydrogen 3.174 N/A ARG 259.A NH2 ASP 292.A OD1 no hydrogen 2.997 N/A ARG 259.A NH2 ASP 292.A OD2 no hydrogen 3.303 N/A TYR 260.A N TRP 256.A O no hydrogen 2.694 N/A MET 261.A N ARG 257.A O no hydrogen 3.210 N/A VAL 262.A N VAL 258.A O no hydrogen 3.104 N/A ALA 263.A N ARG 259.A O no hydrogen 3.039 N/A ASP 264.A N TYR 260.A O no hydrogen 2.790 N/A LYS 265.A N MET 261.A O no hydrogen 3.138 N/A LYS 265.A N VAL 262.A O no hydrogen 3.226 N/A LYS 265.A NZ GLU 225.A OE1 no hydrogen 2.650 N/A PHE 266.A N ALA 263.A O no hydrogen 3.249 N/A LEU 269.A N LYS 265.A O no hydrogen 2.960 N/A GLN 270.A N PHE 266.A O no hydrogen 2.734 N/A LYS 271.A N THR 267.A O no hydrogen 2.915 N/A ALA 272.A N GLU 268.A O no hydrogen 2.813 N/A VAL 273.A N LEU 269.A O no hydrogen 2.877 N/A GLY 274.A N GLN 270.A O no hydrogen 3.117 N/A THR 278.A N GLY 274.A O no hydrogen 2.977 N/A THR 278.A OG1 GLY 274.A O no hydrogen 2.747 N/A LYS 279.A N PRO 275.A O no hydrogen 3.062 N/A LYS 279.A N GLU 276.A O no hydrogen 3.246 N/A THR 280.A N GLU 276.A O no hydrogen 3.280 N/A ASP 281.A N ILE 277.A O no hydrogen 2.787 N/A VAL 283.A N THR 278.A O no hydrogen 2.843 N/A ALA 285.A N ASP 281.A O no hydrogen 3.094 N/A PHE 286.A N LEU 282.A O no hydrogen 2.706 N/A GLN 287.A N VAL 283.A O no hydrogen 3.378 N/A GLN 287.A NE2 VAL 283.A O no hydrogen 3.614 N/A ASN 288.A N PRO 284.A O no hydrogen 3.209 N/A LEU 289.A N ALA 285.A O no hydrogen 3.101 N/A MET 290.A N PHE 286.A O no hydrogen 3.035 N/A LYS 291.A N ASN 288.A O no hydrogen 2.918 N/A LYS 291.A NZ GLU 331.A OE1 no hydrogen 2.679 N/A ASP 292.A N LEU 289.A O no hydrogen 3.048 N/A GLU 294.A N ASP 292.A OD1 no hydrogen 2.848 N/A GLU 296.A N GLU 296.A OE1 no hydrogen 2.724 N/A ARG 298.A N GLU 294.A O no hydrogen 3.290 N/A ARG 298.A NE ASP 335.A OD2 no hydrogen 2.763 N/A ARG 298.A NH1 ASP 292.A O no hydrogen 3.011 N/A ARG 298.A NH2 ASP 335.A OD1 no hydrogen 3.370 N/A ARG 298.A NH2 ASP 335.A OD2 no hydrogen 3.414 N/A ALA 299.A N ALA 295.A O no hydrogen 2.853 N/A ALA 300.A N GLU 296.A O no hydrogen 3.025 N/A ALA 301.A N VAL 297.A O no hydrogen 2.974 N/A SER 302.A N ARG 298.A O no hydrogen 3.032 N/A SER 302.A OG ARG 298.A O no hydrogen 2.952 N/A HIS 303.A N ALA 299.A O no hydrogen 3.203 N/A LYS 304.A N ALA 301.A O no hydrogen 3.107 N/A LYS 304.A NZ ASP 264.A O no hydrogen 3.083 N/A VAL 305.A N SER 302.A O no hydrogen 3.251 N/A PHE 308.A N LYS 304.A O no hydrogen 2.918 N/A CYS 309.A N VAL 305.A O no hydrogen 3.202 N/A CYS 309.A SG VAL 305.A O no hydrogen 3.433 N/A GLU 310.A N LYS 306.A O no hydrogen 2.906 N/A ASN 311.A N GLU 307.A O no hydrogen 3.176 N/A ASN 311.A N PHE 308.A O no hydrogen 3.329 N/A ASN 311.A ND2 GLU 307.A O no hydrogen 2.964 N/A LEU 312.A N CYS 309.A O no hydrogen 3.303 N/A CYS 316.A N SER 313.A O no hydrogen 2.968 N/A CYS 316.A SG SER 313.A O no hydrogen 3.823 N/A CYS 316.A SG SER 313.A OG no hydrogen 3.343 N/A ARG 317.A N SER 313.A O no hydrogen 2.725 N/A ARG 317.A NE CYS 309.A O no hydrogen 3.565 N/A ASN 319.A ND2 CYS 316.A O no hydrogen 2.883 N/A VAL 320.A N CYS 316.A O no hydrogen 3.151 N/A ILE 321.A N ARG 317.A O no hydrogen 3.027 N/A MET 322.A N GLU 318.A O no hydrogen 2.991 N/A SER 323.A N ASN 319.A O no hydrogen 2.997 N/A GLN 324.A N VAL 320.A O no hydrogen 2.505 N/A GLN 324.A NE2 SER 323.A OG no hydrogen 2.881 N/A ILE 325.A N VAL 320.A O no hydrogen 3.111 N/A LEU 326.A N ILE 321.A O no hydrogen 2.702 N/A CYS 328.A SG GLN 324.A O no hydrogen 3.520 N/A ILE 329.A N ILE 325.A O no hydrogen 2.911 N/A LYS 330.A N LEU 326.A O no hydrogen 2.911 N/A GLU 331.A N PRO 327.A O no hydrogen 3.384 N/A LEU 332.A N CYS 328.A O no hydrogen 3.199 N/A VAL 333.A N ILE 329.A O no hydrogen 3.192 N/A SER 334.A N GLU 331.A O no hydrogen 3.001 N/A ASP 335.A N LEU 332.A O no hydrogen 2.932 N/A ASN 337.A N ASP 335.A OD1 no hydrogen 2.746 N/A ASN 337.A ND2 HIS 339.A ND1 no hydrogen 3.180 N/A LYS 341.A N ASN 337.A O no hydrogen 3.243 N/A LYS 341.A NZ ASP 374.A OD1 no hydrogen 2.758 N/A LYS 341.A NZ ASP 374.A OD2 no hydrogen 3.546 N/A SER 342.A N GLN 338.A O no hydrogen 2.912 N/A SER 342.A OG GLN 338.A O no hydrogen 2.792 N/A ALA 343.A N HIS 339.A O no hydrogen 2.907 N/A LEU 344.A N VAL 340.A O no hydrogen 3.072 N/A ALA 345.A N LYS 341.A O no hydrogen 2.966 N/A SER 346.A N SER 342.A O no hydrogen 3.123 N/A SER 346.A OG ALA 343.A O no hydrogen 2.766 N/A VAL 347.A N LEU 344.A O no hydrogen 3.135 N/A ILE 348.A N LEU 344.A O no hydrogen 2.857 N/A GLY 350.A N VAL 347.A O no hydrogen 2.794 N/A LEU 351.A N ILE 348.A O no hydrogen 3.344 N/A SER 352.A N MET 349.A O no hydrogen 3.116 N/A SER 352.A OG MET 349.A O no hydrogen 2.936 N/A ILE 354.A N LEU 351.A O no hydrogen 2.869 N/A LEU 355.A N LEU 351.A O no hydrogen 2.986 N/A LEU 355.A N SER 352.A O no hydrogen 3.059 N/A GLY 356.A N SER 352.A O no hydrogen 2.903 N/A ASN 359.A ND2 LEU 355.A O no hydrogen 2.957 N/A THR 360.A N GLY 356.A O no hydrogen 3.005 N/A THR 360.A OG1 GLY 356.A O no hydrogen 2.852 N/A ILE 361.A N LYS 357.A O no hydrogen 3.070 N/A GLU 362.A N ASP 358.A O no hydrogen 2.999 N/A HIS 363.A N ASN 359.A O no hydrogen 2.601 N/A LEU 364.A N THR 360.A O no hydrogen 2.844 N/A LEU 365.A N THR 360.A O no hydrogen 2.950 N/A PHE 368.A N LEU 364.A O no hydrogen 2.767 N/A LEU 369.A N LEU 365.A O no hydrogen 2.821 N/A ALA 370.A N PRO 366.A O no hydrogen 3.156 N/A GLN 371.A N LEU 367.A O no hydrogen 3.044 N/A GLN 371.A NE2 LYS 341.A O no hydrogen 3.147 N/A LEU 372.A N PHE 368.A O no hydrogen 3.066 N/A LYS 373.A N LEU 369.A O no hydrogen 3.104 N/A LYS 373.A N ALA 370.A O no hydrogen 3.218 N/A LYS 373.A NZ GLU 409.A OE1 no hydrogen 3.368 N/A ASP 374.A N GLN 371.A O no hydrogen 3.058 N/A CYS 376.A N ASP 374.A OD2 no hydrogen 2.722 N/A ARG 380.A N CYS 376.A O no hydrogen 3.325 N/A ARG 380.A NH2 ASP 374.A O no hydrogen 3.325 N/A LEU 381.A N PRO 377.A O no hydrogen 2.974 N/A ASN 382.A N GLU 378.A O no hydrogen 3.051 N/A ASN 382.A ND2 SER 342.A O no hydrogen 3.132 N/A ILE 383.A N VAL 379.A O no hydrogen 3.317 N/A ILE 384.A N ARG 380.A O no hydrogen 2.995 N/A SER 385.A N LEU 381.A O no hydrogen 2.914 N/A SER 385.A OG LEU 381.A O no hydrogen 3.022 N/A ASN 386.A N ILE 383.A O no hydrogen 3.048 N/A ASN 386.A ND2 ASN 382.A O no hydrogen 2.882 N/A ASN 391.A N LEU 387.A O no hydrogen 3.031 N/A GLU 392.A N ASP 388.A O no hydrogen 3.010 N/A VAL 393.A N VAL 390.A O no hydrogen 2.873 N/A ILE 394.A N VAL 390.A O no hydrogen 2.854 N/A LEU 399.A N GLY 395.A O no hydrogen 2.952 N/A SER 400.A N ILE 396.A O no hydrogen 2.899 N/A GLN 401.A N ARG 397.A O no hydrogen 2.949 N/A SER 402.A N LEU 399.A O no hydrogen 3.061 N/A LEU 403.A N LEU 399.A O no hydrogen 2.712 N/A LEU 404.A N SER 400.A O no hydrogen 2.800 N/A ALA 406.A N LEU 403.A O no hydrogen 3.101 N/A ILE 407.A N LEU 403.A O no hydrogen 3.122 N/A VAL 408.A N LEU 404.A O no hydrogen 2.820 N/A GLU 409.A N PRO 405.A O no hydrogen 3.142 N/A LEU 410.A N ALA 406.A O no hydrogen 3.002 N/A ALA 411.A N ILE 407.A O no hydrogen 2.692 N/A GLU 412.A N VAL 408.A O no hydrogen 3.243 N/A ASP 413.A N LEU 410.A O no hydrogen 3.115 N/A LYS 415.A N ASP 413.A OD1 no hydrogen 2.781 N/A VAL 418.A N LYS 415.A O no hydrogen 3.200 N/A ARG 419.A N LYS 415.A O no hydrogen 3.269 N/A ARG 419.A NE ASP 452.A OD2 no hydrogen 2.867 N/A ARG 419.A NH1 ASP 413.A O no hydrogen 2.825 N/A ARG 419.A NH1 ALA 414.A O no hydrogen 3.289 N/A ARG 419.A NH2 ASP 452.A OD1 no hydrogen 3.081 N/A LEU 420.A N TRP 416.A O no hydrogen 2.941 N/A ALA 421.A N ARG 417.A O no hydrogen 3.243 N/A ILE 422.A N VAL 418.A O no hydrogen 3.151 N/A ILE 423.A N ARG 419.A O no hydrogen 3.330 N/A GLU 424.A N LEU 420.A O no hydrogen 3.199 N/A TYR 425.A N ALA 421.A O no hydrogen 3.241 N/A TYR 425.A N ILE 422.A O no hydrogen 2.917 N/A MET 426.A N ILE 423.A O no hydrogen 3.311 N/A LEU 429.A N TYR 425.A O no hydrogen 2.834 N/A ALA 430.A N MET 426.A O no hydrogen 2.788 N/A GLY 431.A N PRO 427.A O no hydrogen 2.955 N/A GLN 432.A N LEU 428.A O no hydrogen 3.018 N/A GLN 432.A NE2 ASP 388.A OD2 no hydrogen 3.106 N/A LEU 433.A N LEU 429.A O no hydrogen 2.815 N/A GLY 434.A N ALA 430.A O no hydrogen 2.935 N/A GLU 436.A N GLU 436.A OE1 no hydrogen 2.643 N/A PHE 437.A N GLY 434.A O no hydrogen 3.036 N/A PHE 438.A N VAL 435.A O no hydrogen 3.196 N/A ASP 439.A N PHE 437.A O no hydrogen 2.843 N/A LEU 442.A N ASP 439.A OD1 no hydrogen 3.241 N/A ASN 443.A N ASP 439.A O no hydrogen 2.867 N/A ASN 443.A ND2 PHE 438.A O no hydrogen 2.990 N/A SER 444.A N GLU 440.A O no hydrogen 2.949 N/A SER 444.A OG LYS 441.A O no hydrogen 2.649 N/A LEU 445.A N LYS 441.A O no hydrogen 3.254 N/A CYS 446.A N LEU 442.A O no hydrogen 3.273 N/A CYS 446.A SG LEU 442.A O no hydrogen 3.471 N/A CYS 446.A SG ASN 464.A OD1 no hydrogen 3.940 N/A MET 447.A N ASN 443.A O no hydrogen 3.125 N/A ALA 448.A N SER 444.A O no hydrogen 2.850 N/A TRP 449.A NE1 ALA 411.A O no hydrogen 3.119 N/A LEU 450.A N MET 447.A O no hydrogen 3.080 N/A VAL 451.A N ALA 448.A O no hydrogen 3.113 N/A ASP 452.A N TRP 449.A O no hydrogen 2.825 N/A VAL 454.A N ASP 452.A OD1 no hydrogen 2.901 N/A ILE 457.A N VAL 454.A O no hydrogen 3.088 N/A ARG 458.A N VAL 454.A O no hydrogen 3.305 N/A ARG 458.A NE ASP 452.A O no hydrogen 2.876 N/A GLU 459.A N TYR 455.A O no hydrogen 2.885 N/A ALA 460.A N ALA 456.A O no hydrogen 3.048 N/A ALA 461.A N ILE 457.A O no hydrogen 2.880 N/A THR 462.A N ARG 458.A O no hydrogen 2.954 N/A THR 462.A OG1 ARG 458.A O no hydrogen 2.940 N/A SER 463.A N GLU 459.A O no hydrogen 3.235 N/A SER 463.A OG GLU 459.A O no hydrogen 3.165 N/A ASN 464.A N ALA 460.A O no hydrogen 2.978 N/A LEU 465.A N ALA 461.A O no hydrogen 2.866 N/A LYS 466.A N THR 462.A O no hydrogen 3.192 N/A LYS 466.A NZ GLU 509.A OE1 no hydrogen 2.754 N/A LYS 467.A N SER 463.A O no hydrogen 2.869 N/A LEU 468.A N ASN 464.A O no hydrogen 2.900 N/A VAL 469.A N LEU 465.A O no hydrogen 3.080 N/A GLU 470.A N LYS 466.A O no hydrogen 2.876 N/A LYS 471.A N LYS 467.A O no hydrogen 2.936 N/A LYS 471.A N LEU 468.A O no hydrogen 3.218 N/A PHE 472.A N LEU 468.A O no hydrogen 2.971 N/A GLY 473.A N VAL 469.A O no hydrogen 2.686 N/A ALA 477.A N GLY 473.A O no hydrogen 3.229 N/A HIS 478.A N LYS 474.A O no hydrogen 2.872 N/A ALA 479.A N GLU 475.A O no hydrogen 2.883 N/A THR 480.A N TRP 476.A O no hydrogen 2.725 N/A THR 480.A OG1 TRP 476.A O no hydrogen 3.158 N/A ILE 481.A N ALA 477.A O no hydrogen 2.855 N/A ILE 482.A N ALA 477.A O no hydrogen 3.077 N/A VAL 485.A N ILE 481.A O no hydrogen 3.062 N/A LEU 486.A N ILE 482.A O no hydrogen 2.843 N/A ALA 487.A N PRO 483.A O no hydrogen 3.068 N/A MET 488.A N LYS 484.A O no hydrogen 3.225 N/A SER 489.A N LEU 486.A O no hydrogen 3.010 N/A SER 489.A OG LEU 486.A O no hydrogen 2.473 N/A GLY 490.A N ALA 487.A O no hydrogen 3.282 N/A HIS 496.A N ASN 493.A O no hydrogen 3.219 N/A HIS 496.A N ASN 493.A OD1 no hydrogen 3.386 N/A HIS 496.A ND1 ASP 491.A OD2 no hydrogen 2.874 N/A ARG 497.A N ASN 493.A O no hydrogen 3.319 N/A ARG 497.A NE ASP 530.A OD2 no hydrogen 2.836 N/A ARG 497.A NH1 ASP 491.A O no hydrogen 2.858 N/A ARG 497.A NH2 ASP 530.A OD1 no hydrogen 3.195 N/A ARG 497.A NH2 ASP 530.A OD2 no hydrogen 3.276 N/A MET 498.A N TYR 494.A O no hydrogen 2.793 N/A THR 499.A N LEU 495.A O no hydrogen 2.939 N/A THR 499.A OG1 LEU 495.A O no hydrogen 2.881 N/A THR 500.A N HIS 496.A O no hydrogen 3.242 N/A THR 500.A N ARG 497.A O no hydrogen 3.167 N/A THR 500.A OG1 VAL 485.A O no hydrogen 3.100 N/A THR 500.A OG1 HIS 496.A O no hydrogen 3.546 N/A PHE 502.A N MET 498.A O no hydrogen 3.070 N/A CYS 503.A N THR 499.A O no hydrogen 2.961 N/A CYS 503.A SG THR 499.A O no hydrogen 3.195 N/A ILE 504.A N THR 500.A O no hydrogen 3.085 N/A ASN 505.A N LEU 501.A O no hydrogen 3.020 N/A ASN 505.A ND2 SER 542.A OG no hydrogen 2.719 N/A VAL 506.A N PHE 502.A O no hydrogen 3.291 N/A VAL 506.A N CYS 503.A O no hydrogen 2.958 N/A LEU 507.A N CYS 503.A O no hydrogen 2.890 N/A SER 508.A N ILE 504.A O no hydrogen 3.022 N/A SER 508.A OG ILE 504.A O no hydrogen 3.449 N/A SER 508.A OG ASN 505.A O no hydrogen 2.981 N/A GLU 509.A N VAL 506.A O no hydrogen 3.113 N/A VAL 510.A N LEU 507.A O no hydrogen 2.994 N/A CYS 511.A N LEU 507.A O no hydrogen 2.760 N/A CYS 511.A SG LEU 507.A O no hydrogen 3.364 N/A GLN 513.A NE2 ILE 549.A O no hydrogen 3.148 N/A THR 516.A N GLY 512.A O no hydrogen 3.204 N/A THR 516.A OG1 GLY 512.A O no hydrogen 2.787 N/A THR 517.A N GLN 513.A O no hydrogen 2.941 N/A THR 517.A OG1 GLN 513.A O no hydrogen 2.748 N/A LYS 518.A N ASP 514.A O no hydrogen 3.029 N/A LYS 518.A NZ ASP 514.A OD1 no hydrogen 2.603 N/A HIS 519.A N ILE 515.A O no hydrogen 2.720 N/A MET 520.A N THR 516.A O no hydrogen 3.096 N/A LEU 521.A N THR 516.A O no hydrogen 2.962 N/A VAL 524.A N MET 520.A O no hydrogen 3.269 N/A LEU 525.A N LEU 521.A O no hydrogen 2.877 N/A ARG 526.A N PRO 522.A O no hydrogen 3.014 N/A ARG 526.A NH2 SER 489.A OG no hydrogen 3.176 N/A MET 527.A N THR 523.A O no hydrogen 3.004 N/A ALA 528.A N LEU 525.A O no hydrogen 3.158 N/A GLY 529.A N ARG 526.A O no hydrogen 3.144 N/A ASP 530.A N MET 527.A O no hydrogen 2.850 N/A VAL 532.A N ASP 530.A OD1 no hydrogen 2.830 N/A ARG 536.A N VAL 532.A O no hydrogen 3.213 N/A ARG 536.A NE ASP 569.A OD2 no hydrogen 2.765 N/A ARG 536.A NH1 ASP 530.A O no hydrogen 3.061 N/A ARG 536.A NH1 PRO 531.A O no hydrogen 3.360 N/A ARG 536.A NH2 ASP 569.A OD1 no hydrogen 2.806 N/A ARG 536.A NH2 ASP 569.A OD2 no hydrogen 3.090 N/A PHE 537.A N ALA 533.A O no hydrogen 3.204 N/A ASN 538.A N VAL 535.A O no hydrogen 3.150 N/A ASN 538.A ND2 ASN 534.A O no hydrogen 3.307 N/A VAL 539.A N VAL 535.A O no hydrogen 3.065 N/A VAL 539.A N ARG 536.A O no hydrogen 3.211 N/A ALA 540.A N ARG 536.A O no hydrogen 3.443 N/A LYS 541.A N PHE 537.A O no hydrogen 3.119 N/A SER 542.A N ASN 538.A O no hydrogen 2.780 N/A LEU 543.A N VAL 539.A O no hydrogen 2.921 N/A GLN 544.A N ALA 540.A O no hydrogen 3.043 N/A LYS 545.A N LYS 541.A O no hydrogen 2.993 N/A LYS 545.A NZ ASN 505.A O no hydrogen 3.448 N/A LYS 545.A NZ GLU 509.A OE2 no hydrogen 2.986 N/A ILE 546.A N SER 542.A O no hydrogen 2.943 N/A GLY 547.A N LEU 543.A O no hydrogen 2.962 N/A ILE 549.A N ILE 546.A O no hydrogen 3.009 N/A LEU 550.A N GLY 547.A O no hydrogen 2.890 N/A THR 554.A N ASP 551.A O no hydrogen 2.835 N/A LEU 555.A N ASP 551.A O no hydrogen 2.969 N/A GLN 556.A N ASN 552.A O no hydrogen 3.104 N/A GLN 556.A NE2 ASN 552.A OD1 no hydrogen 3.074 N/A SER 557.A N SER 553.A O no hydrogen 3.106 N/A SER 557.A OG SER 553.A O no hydrogen 2.738 N/A GLU 558.A N THR 554.A O no hydrogen 2.885 N/A VAL 559.A N THR 554.A O no hydrogen 3.375 N/A VAL 559.A N LEU 555.A O no hydrogen 3.180 N/A LYS 560.A N LEU 555.A O no hydrogen 2.775 N/A LEU 563.A N VAL 559.A O no hydrogen 2.906 N/A GLU 564.A N LYS 560.A O no hydrogen 2.835 N/A LYS 565.A N PRO 561.A O no hydrogen 3.131 N/A LEU 566.A N ILE 562.A O no hydrogen 3.177 N/A THR 567.A N LEU 563.A O no hydrogen 3.261 N/A THR 567.A N GLU 564.A O no hydrogen 3.187 N/A THR 567.A OG1 GLU 564.A O no hydrogen 2.379 N/A GLN 568.A N LYS 565.A O no hydrogen 2.958 N/A GLN 568.A NE2 THR 567.A OG1 no hydrogen 3.062 N/A ASP 569.A N LEU 566.A O no hydrogen 3.259 N/A GLN 570.A N GLN 570.A OE1 no hydrogen 2.616 N/A ASP 571.A N ASP 569.A OD1 no hydrogen 2.853 N/A ASP 573.A N ASP 571.A OD1 no hydrogen 2.779 N/A LYS 575.A N ASP 571.A O no hydrogen 3.169 N/A TYR 576.A N VAL 572.A O no hydrogen 3.230 N/A PHE 577.A N ASP 573.A O no hydrogen 2.932 N/A ALA 578.A N VAL 574.A O no hydrogen 3.059 N/A GLN 579.A N LYS 575.A O no hydrogen 3.241 N/A GLU 580.A N TYR 576.A O no hydrogen 3.132 N/A ALA 581.A N PHE 577.A O no hydrogen 3.076 N/A LEU 582.A N ALA 578.A O no hydrogen 3.117 N/A THR 583.A N GLN 579.A O no hydrogen 3.016 N/A THR 583.A OG1 GLN 579.A O no hydrogen 3.411 N/A THR 583.A OG1 GLN 579.A OE1 no hydrogen 3.222 N/A VAL 584.A N GLU 580.A O no hydrogen 2.772 N/A LEU 585.A N ALA 581.A O no hydrogen 2.914 N/A SER 586.A N THR 583.A O no hydrogen 2.901 N/A LEU 587.A N LEU 582.A O no hydrogen 2.942 N/A