Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5wg4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 9.A N GLU 6.A O no hydrogen 3.001 N/A ARG 10.A N PRO 7.A O no hydrogen 3.142 N/A ARG 10.A NE THR 142.A OG1 no hydrogen 2.701 N/A ARG 10.A NH1 GLN 14.A OE1 no hydrogen 2.740 N/A ARG 10.A NH1 ILE 136.A O no hydrogen 3.340 N/A ARG 10.A NH2 ILE 136.A O no hydrogen 2.601 N/A ARG 10.A NH2 SER 138.A O no hydrogen 2.866 N/A ARG 10.A NH2 THR 142.A OG1 no hydrogen 3.092 N/A SER 11.A OG HIS 517.A O no hydrogen 3.345 N/A MET 13.A N ILE 9.A O no hydrogen 2.907 N/A GLN 14.A N ARG 10.A O no hydrogen 2.788 N/A TYR 16.A N VAL 12.A O no hydrogen 3.065 N/A LEU 17.A N MET 13.A O no hydrogen 3.039 N/A GLU 18.A N GLN 14.A O no hydrogen 3.097 N/A ASP 19.A N LYS 15.A O no hydrogen 3.074 N/A ARG 20.A N LEU 17.A O no hydrogen 2.874 N/A ARG 20.A NH2 TYR 16.A O no hydrogen 2.530 N/A GLY 21.A N GLU 18.A O no hydrogen 3.396 N/A GLU 22.A N LEU 17.A O no hydrogen 3.064 N/A THR 24.A OG1 GLY 21.A O no hydrogen 3.166 N/A LYS 27.A N THR 24.A O no hydrogen 3.113 N/A LYS 27.A NZ GLY 21.A O no hydrogen 3.359 N/A ILE 28.A N THR 24.A O no hydrogen 2.979 N/A PHE 29.A N PHE 25.A O no hydrogen 2.887 N/A SER 30.A OG GLU 26.A O no hydrogen 2.597 N/A SER 30.A OG LYS 27.A O no hydrogen 3.562 N/A GLN 31.A N ILE 28.A O no hydrogen 3.281 N/A LEU 33.A N GLN 476.A OE1 no hydrogen 2.798 N/A TYR 35.A N GLN 31.A O no hydrogen 2.885 N/A LEU 36.A N LYS 32.A O no hydrogen 3.274 N/A LEU 37.A N LEU 33.A O no hydrogen 3.180 N/A PHE 38.A N GLY 34.A O no hydrogen 2.834 N/A ARG 39.A N TYR 35.A O no hydrogen 2.715 N/A ASP 40.A N LEU 36.A O no hydrogen 2.944 N/A PHE 41.A N LEU 37.A O no hydrogen 2.927 N/A PHE 41.A N PHE 38.A O no hydrogen 3.235 N/A CYS 42.A N PHE 38.A O no hydrogen 3.066 N/A CYS 42.A SG PHE 38.A O no hydrogen 3.230 N/A LEU 43.A N ARG 39.A O no hydrogen 2.998 N/A ASN 44.A N ASP 40.A O no hydrogen 3.506 N/A HIS 45.A N PHE 41.A O no hydrogen 3.006 N/A ARG 50.A NE GLU 54.A OE2 no hydrogen 3.478 N/A LEU 52.A N ALA 49.A O no hydrogen 3.093 N/A VAL 53.A N ALA 49.A O no hydrogen 3.170 N/A GLU 54.A N ARG 50.A O no hydrogen 3.206 N/A PHE 55.A N PRO 51.A O no hydrogen 3.015 N/A TYR 56.A N LEU 52.A O no hydrogen 3.071 N/A GLU 57.A N VAL 53.A O no hydrogen 2.775 N/A GLU 58.A N GLU 54.A O no hydrogen 3.022 N/A ILE 59.A N PHE 55.A O no hydrogen 3.231 N/A LYS 60.A N TYR 56.A O no hydrogen 3.141 N/A LYS 60.A NZ GLU 63.A OE1 no hydrogen 2.772 N/A LYS 61.A N GLU 57.A O no hydrogen 2.937 N/A TYR 62.A N GLU 58.A O no hydrogen 2.992 N/A TYR 62.A OH PRO 112.A O no hydrogen 2.795 N/A GLU 63.A N ILE 59.A O no hydrogen 2.918 N/A LYS 64.A NZ LYS 60.A O no hydrogen 2.924 N/A LEU 65.A N TYR 62.A O no hydrogen 3.176 N/A THR 67.A N GLU 70.A OE2 no hydrogen 3.344 N/A THR 67.A OG1 GLU 70.A OE2 no hydrogen 2.662 N/A ARG 71.A NE VAL 111.A O no hydrogen 2.761 N/A ARG 71.A NH1 LEU 65.A O no hydrogen 3.100 N/A ARG 71.A NH1 GLU 66.A O no hydrogen 3.165 N/A VAL 72.A N GLU 68.A O no hydrogen 3.068 N/A ARG 74.A N GLU 70.A O no hydrogen 3.057 N/A SER 75.A N ARG 71.A O no hydrogen 2.938 N/A SER 75.A OG ARG 71.A O no hydrogen 2.785 N/A SER 75.A OG VAL 72.A O no hydrogen 3.456 N/A GLU 77.A N ALA 73.A O no hydrogen 3.441 N/A ILE 78.A N ARG 74.A O no hydrogen 2.994 N/A PHE 79.A N SER 75.A O no hydrogen 3.057 N/A ASP 80.A N ARG 76.A O no hydrogen 2.841 N/A SER 81.A N GLU 77.A O no hydrogen 3.004 N/A SER 81.A N ILE 78.A O no hydrogen 3.211 N/A TYR 82.A N ILE 78.A O no hydrogen 2.699 N/A ILE 83.A N PHE 79.A O no hydrogen 3.119 N/A MET 84.A N PHE 79.A O no hydrogen 2.672 N/A LEU 87.A N ILE 83.A O no hydrogen 2.949 N/A LEU 88.A N MET 84.A O no hydrogen 2.828 N/A ALA 89.A N GLU 86.A O no hydrogen 3.279 N/A CYS 90.A N LEU 87.A O no hydrogen 3.379 N/A HIS 92.A ND1 GLU 86.A OE1 no hydrogen 2.901 N/A HIS 92.A NE2 TYR 119.A OH no hydrogen 3.239 N/A PHE 94.A N HIS 92.A O no hydrogen 2.929 N/A SER 95.A N GLU 122.A OE1 no hydrogen 3.139 N/A SER 95.A OG GLU 122.A OE2 no hydrogen 2.832 N/A THR 99.A OG1 LYS 96.A O no hydrogen 3.012 N/A GLU 100.A N LYS 96.A O no hydrogen 2.962 N/A HIS 101.A N SER 97.A O no hydrogen 3.200 N/A VAL 102.A N ALA 98.A O no hydrogen 3.376 N/A GLN 103.A N THR 99.A O no hydrogen 3.027 N/A GLY 104.A N GLU 100.A O no hydrogen 3.023 N/A HIS 105.A N HIS 101.A O no hydrogen 3.226 N/A HIS 105.A ND1 HIS 101.A O no hydrogen 2.782 N/A LEU 106.A N VAL 102.A O no hydrogen 3.012 N/A GLY 107.A N GLN 103.A O no hydrogen 3.348 N/A LYS 109.A N LEU 106.A O no hydrogen 2.764 N/A GLN 110.A N HIS 105.A O no hydrogen 2.763 N/A LEU 115.A N PRO 112.A O no hydrogen 3.016 N/A GLN 117.A N ASP 114.A O no hydrogen 3.326 N/A TYR 119.A N PHE 116.A O no hydrogen 3.167 N/A TYR 119.A OH HIS 92.A NE2 no hydrogen 3.239 N/A ILE 120.A N GLN 117.A O no hydrogen 3.022 N/A ILE 123.A N TYR 119.A O no hydrogen 2.719 N/A CYS 124.A N ILE 120.A O no hydrogen 3.310 N/A CYS 124.A SG ILE 120.A O no hydrogen 3.274 N/A GLN 125.A N GLU 121.A O no hydrogen 3.185 N/A ASN 126.A N GLU 122.A O no hydrogen 3.092 N/A ASN 126.A ND2 PRO 93.A O no hydrogen 3.410 N/A ASN 126.A ND2 GLU 122.A O no hydrogen 2.922 N/A LEU 127.A N ILE 123.A O no hydrogen 3.070 N/A ARG 128.A N CYS 124.A O no hydrogen 2.796 N/A ARG 128.A NH1 GLU 26.A OE2 no hydrogen 3.518 N/A GLN 133.A N GLY 129.A O no hydrogen 2.771 N/A LYS 134.A N ASP 130.A O no hydrogen 3.389 N/A PHE 135.A N VAL 131.A O no hydrogen 3.066 N/A ILE 136.A N PHE 132.A O no hydrogen 3.134 N/A GLU 137.A N GLN 133.A O no hydrogen 3.183 N/A SER 138.A N PHE 135.A O no hydrogen 3.057 N/A SER 138.A OG PHE 135.A O no hydrogen 2.367 N/A LYS 140.A NZ ASP 40.A OD2 no hydrogen 2.912 N/A THR 142.A OG1 SER 138.A O no hydrogen 3.549 N/A ARG 143.A N ASP 139.A O no hydrogen 2.916 N/A ARG 143.A NE GLN 146.A OE1 no hydrogen 2.894 N/A ARG 143.A NH1 ASN 488.A O no hydrogen 3.377 N/A ARG 143.A NH1 ASN 488.A OD1 no hydrogen 3.039 N/A ARG 143.A NH1 ASP 492.A OD1 no hydrogen 2.927 N/A ARG 143.A NH2 ASP 492.A OD1 no hydrogen 2.408 N/A ARG 143.A NH2 GLU 495.A OE2 no hydrogen 3.154 N/A PHE 144.A N LYS 140.A O no hydrogen 2.945 N/A CYS 145.A N PHE 141.A O no hydrogen 2.947 N/A CYS 145.A SG PHE 141.A O no hydrogen 3.390 N/A GLN 146.A N THR 142.A O no hydrogen 2.924 N/A GLN 146.A NE2 PRO 5.A O no hydrogen 2.346 N/A GLN 146.A NE2 GLU 495.A OE1 no hydrogen 3.223 N/A TRP 147.A N ARG 143.A O no hydrogen 2.933 N/A TRP 147.A NE1 ASN 488.A OD1 no hydrogen 2.818 N/A LYS 148.A N PHE 144.A O no hydrogen 2.828 N/A LYS 148.A NZ GLU 151.A OE1 no hydrogen 3.499 N/A LYS 148.A NZ GLU 151.A OE2 no hydrogen 3.335 N/A ASN 149.A N CYS 145.A O no hydrogen 2.937 N/A ASN 149.A ND2 SER 589.A OG no hydrogen 2.892 N/A VAL 150.A N GLN 146.A O no hydrogen 3.294 N/A GLU 151.A N TRP 147.A O no hydrogen 3.010 N/A LEU 152.A N LYS 148.A O no hydrogen 3.021 N/A ASN 153.A N VAL 150.A O no hydrogen 3.133 N/A ASN 153.A ND2 ASP 588.A O no hydrogen 3.305 N/A HIS 155.A ND1 ASN 153.A O no hydrogen 3.024 N/A HIS 155.A NE2 ASP 590.A OD2 no hydrogen 2.591 N/A THR 157.A N ASP 160.A OD2 no hydrogen 2.713 N/A THR 157.A OG1 ASP 160.A OD2 no hydrogen 3.411 N/A ASP 160.A N THR 157.A O no hydrogen 3.065 N/A PHE 161.A N MET 158.A O no hydrogen 3.198 N/A SER 162.A N ARG 179.A O no hydrogen 2.946 N/A SER 162.A OG HIS 164.A NE2 no hydrogen 3.214 N/A HIS 164.A N GLY 177.A O no hydrogen 2.704 N/A ILE 167.A N VAL 175.A O no hydrogen 2.840 N/A ARG 169.A N ALA 448.A O no hydrogen 3.093 N/A GLY 170.A N GLY 173.A O no hydrogen 2.870 N/A GLU 174.A N CYS 191.A O no hydrogen 3.027 N/A VAL 175.A N GLY 168.A O no hydrogen 2.762 N/A TYR 176.A N MET 189.A O no hydrogen 2.948 N/A GLY 177.A N ARG 165.A O no hydrogen 3.098 N/A CYS 178.A N TYR 187.A O no hydrogen 2.949 N/A ARG 179.A N SER 162.A O no hydrogen 3.072 N/A LYS 180.A N LYS 185.A O no hydrogen 3.034 N/A LYS 180.A NZ ASP 182.A OD1 no hydrogen 2.728 N/A LYS 180.A NZ ASP 182.A OD2 no hydrogen 3.154 N/A LYS 180.A NZ TYR 229.A OH no hydrogen 3.432 N/A LYS 180.A NZ GLU 478.A OE2 no hydrogen 2.969 N/A ALA 181.A N ASP 160.A O no hydrogen 3.029 N/A THR 183.A OG1 ASP 182.A OD1 no hydrogen 3.535 N/A THR 183.A OG1 GLU 478.A OE2 no hydrogen 2.628 N/A GLY 184.A N LYS 180.A O no hydrogen 2.642 N/A LYS 185.A NZ GLU 481.A OE1 no hydrogen 3.546 N/A TYR 187.A N CYS 178.A O no hydrogen 2.840 N/A TYR 187.A OH SER 228.A OG no hydrogen 3.298 N/A TYR 187.A OH GLU 478.A OE1 no hydrogen 2.469 N/A ALA 188.A N LEU 241.A O no hydrogen 2.874 N/A MET 189.A N TYR 176.A O no hydrogen 2.757 N/A LYS 190.A N PHE 239.A O no hydrogen 2.960 N/A LYS 190.A NZ GLU 209.A OE2 no hydrogen 3.134 N/A LYS 190.A NZ ASP 305.A OD1 no hydrogen 2.414 N/A CYS 191.A N GLU 174.A O no hydrogen 2.685 N/A LEU 192.A N LEU 237.A O no hydrogen 2.710 N/A ASP 193.A N PHE 172.A O no hydrogen 3.014 N/A LYS 194.A N ASP 235.A O no hydrogen 2.942 N/A LYS 194.A NZ THR 233.A O no hydrogen 3.129 N/A LYS 194.A NZ GLN 461.A OE1 no hydrogen 2.515 N/A LYS 195.A N ASP 193.A OD1 no hydrogen 3.162 N/A LYS 195.A NZ ILE 454.A O no hydrogen 3.346 N/A ARG 196.A N ASP 193.A OD2 no hydrogen 3.160 N/A ARG 196.A NH2 GLY 170.A O no hydrogen 3.300 N/A ILE 197.A N ASP 193.A O no hydrogen 3.157 N/A ILE 197.A N LYS 194.A O no hydrogen 3.141 N/A LYS 198.A N LYS 194.A O no hydrogen 3.124 N/A LYS 198.A NZ LYS 194.A O no hydrogen 3.458 N/A MET 199.A N LYS 195.A O no hydrogen 3.214 N/A LYS 200.A NZ GLY 171.A O no hydrogen 2.973 N/A GLN 201.A N LYS 198.A O no hydrogen 3.188 N/A GLY 202.A N ILE 197.A O no hydrogen 2.972 N/A GLU 203.A N GLU 203.A OE2 no hydrogen 2.529 N/A ALA 206.A N GLY 202.A O no hydrogen 3.248 N/A LEU 207.A N GLU 203.A O no hydrogen 3.209 N/A ASN 208.A N THR 204.A O no hydrogen 2.872 N/A ASN 208.A ND2 GLY 307.A O no hydrogen 2.868 N/A ASN 208.A ND2 ALA 309.A O no hydrogen 2.656 N/A GLU 209.A N LEU 205.A O no hydrogen 2.857 N/A ARG 210.A NE PHE 467.A O no hydrogen 2.913 N/A ILE 211.A N LEU 207.A O no hydrogen 3.383 N/A MET 212.A N ASN 208.A O no hydrogen 2.967 N/A LEU 213.A N GLU 209.A O no hydrogen 2.821 N/A SER 214.A N ARG 210.A O no hydrogen 2.829 N/A LEU 215.A N ILE 211.A O no hydrogen 3.126 N/A LEU 215.A N MET 212.A O no hydrogen 3.245 N/A SER 217.A N LEU 213.A O no hydrogen 3.136 N/A SER 217.A OG LEU 213.A O no hydrogen 2.472 N/A SER 217.A OG MET 227.A O no hydrogen 3.403 N/A GLY 219.A N GLU 473.A OE1 no hydrogen 3.262 N/A VAL 225.A N ILE 303.A O no hydrogen 2.854 N/A CYS 226.A N ASP 242.A OD2 no hydrogen 2.714 N/A CYS 226.A SG VAL 216.A O no hydrogen 3.987 N/A CYS 226.A SG ILE 224.A O no hydrogen 3.463 N/A MET 227.A N SER 217.A OG no hydrogen 2.760 N/A SER 228.A N ILE 240.A O no hydrogen 2.845 N/A SER 228.A OG TYR 187.A OH no hydrogen 3.298 N/A TYR 229.A OH GLU 478.A OE1 no hydrogen 2.492 N/A ALA 230.A N LEU 469.A O no hydrogen 2.981 N/A PHE 231.A N SER 238.A O no hydrogen 2.948 N/A THR 233.A N LYS 236.A O no hydrogen 2.916 N/A ASP 235.A N THR 233.A OG1 no hydrogen 3.383 N/A LYS 236.A N THR 233.A OG1 no hydrogen 2.870 N/A LEU 237.A N LEU 192.A O no hydrogen 2.640 N/A SER 238.A N PHE 231.A O no hydrogen 2.706 N/A PHE 239.A N LYS 190.A O no hydrogen 2.943 N/A ILE 240.A N TYR 229.A O no hydrogen 2.963 N/A LEU 241.A N ALA 188.A O no hydrogen 2.826 N/A ASP 242.A N CYS 226.A O no hydrogen 3.173 N/A ASP 248.A N ALA 447.A O no hydrogen 3.057 N/A LEU 249.A N ILE 293.A O no hydrogen 2.888 N/A HIS 250.A N PRO 290.A O no hydrogen 3.110 N/A TYR 251.A N ASP 248.A OD1 no hydrogen 2.900 N/A HIS 252.A N ASP 248.A O no hydrogen 3.281 N/A HIS 252.A NE2 GLY 246.A O no hydrogen 2.463 N/A LEU 253.A N LEU 249.A O no hydrogen 2.612 N/A SER 254.A N TYR 251.A O no hydrogen 3.179 N/A SER 254.A OG HIS 250.A O no hydrogen 3.207 N/A GLN 255.A N TYR 251.A O no hydrogen 3.177 N/A HIS 256.A N HIS 252.A O no hydrogen 2.990 N/A HIS 256.A ND1 GLY 257.A O no hydrogen 3.164 N/A GLY 257.A N LEU 253.A O no hydrogen 3.065 N/A PHE 259.A N LEU 354.A O no hydrogen 2.569 N/A ASP 263.A N SER 260.A OG no hydrogen 3.241 N/A MET 264.A N SER 260.A O no hydrogen 2.822 N/A ARG 265.A N GLU 261.A O no hydrogen 2.896 N/A ALA 268.A N MET 264.A O no hydrogen 2.900 N/A ALA 269.A N ARG 265.A O no hydrogen 3.055 N/A GLU 270.A N PHE 266.A O no hydrogen 3.224 N/A ILE 271.A N TYR 267.A O no hydrogen 3.089 N/A ILE 272.A N ALA 268.A O no hydrogen 3.061 N/A LEU 273.A N ALA 269.A O no hydrogen 3.328 N/A GLY 274.A N GLU 270.A O no hydrogen 3.222 N/A LEU 275.A N ILE 271.A O no hydrogen 2.779 N/A GLU 276.A N ILE 272.A O no hydrogen 2.718 N/A HIS 277.A N LEU 273.A O no hydrogen 3.058 N/A MET 278.A N GLY 274.A O no hydrogen 3.036 N/A HIS 279.A N LEU 275.A O no hydrogen 2.770 N/A HIS 279.A NE2 ASP 343.A OD2 no hydrogen 2.944 N/A ASN 280.A N GLU 276.A O no hydrogen 2.834 N/A ARG 281.A N MET 278.A O no hydrogen 3.160 N/A ARG 281.A NH1 HIS 277.A O no hydrogen 3.557 N/A PHE 282.A N HIS 279.A O no hydrogen 3.065 N/A VAL 283.A N MET 278.A O no hydrogen 3.064 N/A VAL 284.A N CYS 310.A O no hydrogen 3.175 N/A TYR 285.A N ASP 343.A OD2 no hydrogen 2.947 N/A TYR 285.A OH SER 304.A O no hydrogen 2.117 N/A TYR 285.A OH ASP 305.A O no hydrogen 3.080 N/A ARG 286.A N ASP 343.A OD1 no hydrogen 2.687 N/A ARG 286.A NE LEU 308.A O no hydrogen 3.094 N/A ARG 286.A NH1 TYR 338.A OH no hydrogen 3.381 N/A ARG 286.A NH2 LEU 308.A O no hydrogen 2.842 N/A ASN 292.A N LYS 289.A O no hydrogen 2.942 N/A ASN 292.A ND2 ASP 287.A O no hydrogen 2.881 N/A ASN 292.A ND2 ASP 287.A OD2 no hydrogen 3.053 N/A ILE 293.A N PRO 290.A O no hydrogen 3.322 N/A LEU 294.A N ARG 302.A O no hydrogen 3.119 N/A LEU 295.A N GLY 247.A O no hydrogen 2.818 N/A ASP 296.A N HIS 300.A O no hydrogen 2.964 N/A HIS 298.A N ASP 296.A OD1 no hydrogen 3.152 N/A GLY 299.A N ASP 296.A OD1 no hydrogen 2.814 N/A HIS 300.A ND1 GLU 270.A OE2 no hydrogen 2.696 N/A VAL 301.A N GLU 270.A OE1 no hydrogen 2.952 N/A ARG 302.A N LEU 294.A O no hydrogen 3.110 N/A ARG 302.A NH1 ILE 224.A O no hydrogen 3.010 N/A ILE 303.A N PHE 223.A O no hydrogen 2.830 N/A SER 304.A N ASN 292.A O no hydrogen 3.151 N/A SER 304.A OG ASN 292.A O no hydrogen 3.285 N/A ALA 309.A N LEU 306.A O no hydrogen 3.319 N/A CYS 310.A N VAL 284.A O no hydrogen 3.152 N/A PHE 312.A N PHE 282.A O no hydrogen 3.298 N/A SER 313.A N ASP 311.A OD1 no hydrogen 2.523 N/A THR 323.A OG1 ASP 287.A OD1 no hydrogen 3.148 N/A TYR 326.A N THR 323.A O no hydrogen 2.981 N/A GLU 330.A N GLU 330.A OE1 no hydrogen 2.590 N/A VAL 331.A N ALA 328.A O no hydrogen 2.959 N/A LEU 332.A N ALA 328.A O no hydrogen 3.171 N/A GLN 333.A N PRO 329.A O no hydrogen 3.250 N/A VAL 336.A N GLN 333.A O no hydrogen 3.337 N/A TYR 338.A N PRO 317.A O no hydrogen 3.044 N/A TYR 338.A OH ALA 319.A O no hydrogen 2.627 N/A SER 340.A OG ASP 339.A OD2 no hydrogen 3.328 N/A SER 341.A N ASP 339.A OD2 no hydrogen 3.217 N/A SER 341.A OG GLU 330.A OE2 no hydrogen 3.051 N/A ALA 342.A N ASP 339.A O no hydrogen 3.401 N/A ASP 343.A N SER 340.A O no hydrogen 3.189 N/A PHE 345.A N SER 341.A O no hydrogen 3.275 N/A SER 346.A N ALA 342.A O no hydrogen 2.753 N/A SER 346.A OG TYR 326.A O no hydrogen 2.759 N/A SER 346.A OG ALA 342.A O no hydrogen 2.689 N/A LEU 347.A N ASP 343.A O no hydrogen 2.721 N/A GLY 348.A N TRP 344.A O no hydrogen 3.280 N/A CYS 349.A N PHE 345.A O no hydrogen 3.202 N/A CYS 349.A SG PHE 345.A O no hydrogen 3.368 N/A MET 350.A N SER 346.A O no hydrogen 2.934 N/A LEU 351.A N LEU 347.A O no hydrogen 2.818 N/A PHE 352.A N GLY 348.A O no hydrogen 3.106 N/A LYS 353.A N CYS 349.A O no hydrogen 3.163 N/A LYS 353.A NZ GLY 357.A O no hydrogen 3.127 N/A LEU 354.A N MET 350.A O no hydrogen 3.137 N/A LEU 355.A N PHE 352.A O no hydrogen 3.140 N/A ARG 356.A N PHE 352.A O no hydrogen 2.821 N/A GLY 357.A N LYS 353.A O no hydrogen 2.834 N/A HIS 358.A ND1 SER 359.A O no hydrogen 2.936 N/A SER 359.A OG GLY 325.A O no hydrogen 2.775 N/A ARG 362.A N SER 359.A O no hydrogen 3.146 N/A ARG 362.A NE THR 366.A O no hydrogen 2.929 N/A GLN 363.A NE2 PRO 360.A O no hydrogen 3.125 N/A HIS 364.A NE2 GLU 371.A OE2 no hydrogen 2.734 N/A THR 366.A OG1 GLU 371.A OE1 no hydrogen 3.146 N/A ASP 368.A N THR 366.A OG1 no hydrogen 3.134 N/A ASP 373.A N LYS 369.A O no hydrogen 3.194 N/A ARG 374.A N HIS 370.A O no hydrogen 3.450 N/A MET 375.A N GLU 371.A O no hydrogen 3.146 N/A THR 376.A N ASP 373.A O no hydrogen 3.049 N/A THR 376.A OG1 ILE 372.A O no hydrogen 2.949 N/A LEU 377.A N ASP 373.A O no hydrogen 3.010 N/A THR 378.A OG1 LEU 377.A O no hydrogen 2.656 N/A PHE 385.A N PRO 382.A O no hydrogen 3.390 N/A SER 386.A N GLU 261.A OE2 no hydrogen 3.112 N/A SER 386.A OG GLU 261.A OE1 no hydrogen 2.686 N/A SER 386.A OG GLU 388.A OE2 no hydrogen 2.840 N/A GLU 388.A N GLU 388.A OE1 no hydrogen 2.766 N/A LEU 389.A N SER 386.A OG no hydrogen 3.390 N/A ARG 390.A N SER 386.A O no hydrogen 2.723 N/A ARG 390.A NH1 PRO 382.A O no hydrogen 3.189 N/A SER 391.A N PRO 387.A O no hydrogen 2.888 N/A LEU 392.A N GLU 388.A O no hydrogen 3.136 N/A LEU 393.A N LEU 389.A O no hydrogen 3.050 N/A GLU 394.A N ARG 390.A O no hydrogen 3.048 N/A GLY 395.A N SER 391.A O no hydrogen 3.023 N/A LEU 396.A N LEU 392.A O no hydrogen 2.830 N/A LEU 397.A N LEU 393.A O no hydrogen 2.699 N/A GLN 398.A NE2 GLU 394.A O no hydrogen 3.622 N/A ASN 402.A N ASN 402.A OD1 no hydrogen 2.502 N/A ARG 403.A N ASP 400.A O no hydrogen 3.307 N/A ARG 404.A N VAL 401.A O no hydrogen 3.399 N/A ARG 404.A NH2 GLU 330.A OE1 no hydrogen 3.133 N/A ARG 404.A NH2 GLU 330.A OE2 no hydrogen 2.515 N/A LEU 405.A N GLY 395.A O no hydrogen 2.593 N/A GLY 406.A N GLU 414.A OE1 no hydrogen 3.061 N/A CYS 407.A N ARG 404.A O no hydrogen 3.191 N/A CYS 407.A SG LEU 405.A O no hydrogen 3.934 N/A LEU 408.A N GLU 414.A OE1 no hydrogen 3.174 N/A ARG 410.A N GLU 414.A OE2 no hydrogen 2.957 N/A ARG 410.A NH2 GLU 417.A OE2 no hydrogen 2.926 N/A GLN 413.A NE2 GLU 417.A OE1 no hydrogen 2.967 N/A LYS 416.A N ALA 412.A O no hydrogen 2.962 N/A LYS 416.A NZ GLU 276.A OE1 no hydrogen 3.356 N/A LYS 416.A NZ GLU 276.A OE2 no hydrogen 2.827 N/A GLU 417.A N GLN 413.A O no hydrogen 3.192 N/A GLU 417.A N GLU 414.A O no hydrogen 3.152 N/A SER 418.A N VAL 415.A O no hydrogen 3.181 N/A PHE 420.A N SER 418.A OG no hydrogen 3.405 N/A PHE 421.A N SER 418.A O no hydrogen 2.862 N/A ARG 422.A N PRO 419.A O no hydrogen 3.381 N/A LEU 424.A N PHE 421.A O no hydrogen 3.128 N/A ASP 425.A N TYR 434.A OH no hydrogen 2.817 N/A GLN 427.A N ASP 425.A OD1 no hydrogen 2.968 N/A VAL 429.A N ASP 425.A O no hydrogen 3.096 N/A PHE 430.A N TRP 426.A O no hydrogen 3.090 N/A LEU 431.A N GLN 427.A O no hydrogen 3.003 N/A GLN 432.A N VAL 429.A O no hydrogen 3.045 N/A LYS 433.A N MET 428.A O no hydrogen 2.932 N/A ASN 446.A ND2 ASP 449.A OD2 no hydrogen 2.356 N/A ALA 450.A N ARG 169.A O no hydrogen 3.199 N/A LYS 452.A NZ LYS 195.A O no hydrogen 2.426 N/A GLN 461.A N LEU 457.A O no hydrogen 3.233 N/A GLN 461.A NE2 PRO 234.A O no hydrogen 3.088 N/A TYR 464.A N GLN 461.A O no hydrogen 3.103 N/A ARG 465.A N GLU 462.A O no hydrogen 3.414 N/A ARG 465.A NE GLU 462.A OE1 no hydrogen 2.410 N/A LEU 469.A N ALA 230.A O no hydrogen 2.921 N/A ILE 471.A N SER 228.A O no hydrogen 3.187 N/A SER 472.A OG GLU 151.A OE2 no hydrogen 2.633 N/A ARG 474.A N ILE 471.A O no hydrogen 2.972 N/A ARG 474.A NE SER 217.A O no hydrogen 3.118 N/A ARG 474.A NH1 ASP 242.A OD1 no hydrogen 3.305 N/A ARG 474.A NH2 SER 217.A O no hydrogen 3.495 N/A TRP 475.A N ILE 471.A O no hydrogen 3.070 N/A GLN 476.A N SER 472.A O no hydrogen 3.060 N/A GLN 476.A NE2 GLN 31.A OE1 no hydrogen 3.358 N/A GLN 476.A NE2 SER 472.A OG no hydrogen 3.078 N/A GLN 477.A N GLU 473.A O no hydrogen 3.214 N/A GLN 477.A NE2 GLU 481.A OE2 no hydrogen 2.747 N/A GLU 478.A N ARG 474.A O no hydrogen 2.877 N/A VAL 479.A N TRP 475.A O no hydrogen 2.813 N/A ALA 480.A N GLN 476.A O no hydrogen 2.679 N/A GLU 481.A N GLN 477.A O no hydrogen 3.091 N/A THR 482.A N VAL 479.A O no hydrogen 3.029 N/A THR 482.A OG1 GLU 478.A O no hydrogen 2.584 N/A THR 482.A OG1 VAL 479.A O no hydrogen 3.194 N/A VAL 483.A N VAL 479.A O no hydrogen 3.146 N/A PHE 484.A N VAL 479.A O no hydrogen 3.055 N/A ILE 487.A N VAL 483.A O no hydrogen 2.717 N/A ASN 488.A N PHE 484.A O no hydrogen 3.174 N/A ALA 489.A N ASP 485.A O no hydrogen 3.166 N/A GLU 490.A N THR 486.A O no hydrogen 3.053 N/A THR 491.A N ILE 487.A O no hydrogen 2.897 N/A THR 491.A OG1 ILE 487.A O no hydrogen 2.888 N/A THR 491.A OG1 ASN 488.A O no hydrogen 3.439 N/A ASP 492.A N ALA 489.A O no hydrogen 3.271 N/A ARG 493.A N ALA 489.A O no hydrogen 3.282 N/A ARG 493.A NE ALA 489.A O no hydrogen 3.567 N/A ARG 497.A N ARG 493.A O no hydrogen 3.094 N/A LYS 498.A N LEU 494.A O no hydrogen 3.081 N/A LYS 498.A NZ GLU 6.A OE1 no hydrogen 2.309 N/A ALA 500.A N ALA 496.A O no hydrogen 2.841 N/A LYS 501.A N LYS 498.A O no hydrogen 3.376 N/A ASN 502.A N LYS 498.A O no hydrogen 2.838 N/A LYS 503.A N LYS 499.A O no hydrogen 3.362 N/A LEU 505.A N ASN 502.A O no hydrogen 3.096 N/A GLY 506.A N ASN 502.A O no hydrogen 2.495 N/A TYR 508.A OH GLU 544.A OE1 no hydrogen 2.417 N/A LYS 512.A NZ TYR 508.A O no hydrogen 2.907 N/A CYS 514.A SG MET 516.A O no hydrogen 3.466 N/A CYS 514.A SG LEU 538.A O no hydrogen 3.589 N/A ILE 515.A N LEU 538.A O no hydrogen 2.709 N/A MET 516.A N LEU 538.A O no hydrogen 3.484 N/A HIS 517.A N SER 11.A OG no hydrogen 3.155 N/A HIS 517.A ND1 TYR 535.A OH no hydrogen 2.533 N/A GLY 518.A N PHE 536.A O no hydrogen 3.014 N/A MET 520.A N ARG 534.A O no hydrogen 2.952 N/A SER 521.A N GLN 586.A O no hydrogen 2.768 N/A LYS 522.A N GLN 532.A O no hydrogen 2.955 N/A LYS 522.A NZ GLN 532.A OE1 no hydrogen 3.425 N/A MET 523.A N ILE 584.A O no hydrogen 3.206 N/A GLY 524.A N GLN 530.A O no hydrogen 2.793 N/A ASN 525.A N GLN 530.A OE1 no hydrogen 2.905 N/A PHE 527.A N ASN 525.A OD1 no hydrogen 3.242 N/A LEU 528.A N ASN 525.A O no hydrogen 3.094 N/A THR 529.A N PRO 526.A O no hydrogen 3.046 N/A GLN 530.A N ASN 525.A O no hydrogen 3.312 N/A GLN 532.A N LYS 522.A O no hydrogen 2.894 N/A ARG 533.A NH1 ASP 588.A OD1 no hydrogen 2.741 N/A ARG 534.A N MET 520.A O no hydrogen 2.866 N/A ARG 534.A NH1 ARG 533.A O no hydrogen 3.409 N/A TYR 535.A N ARG 546.A O no hydrogen 3.248 N/A TYR 535.A OH HIS 517.A ND1 no hydrogen 2.533 N/A PHE 536.A N GLY 518.A O no hydrogen 2.637 N/A TYR 537.A N GLU 544.A O no hydrogen 2.592 N/A LEU 538.A N MET 516.A O no hydrogen 2.766 N/A PHE 539.A N ARG 542.A O no hydrogen 2.860 N/A ARG 542.A NE GLU 544.A OE2 no hydrogen 2.297 N/A ARG 542.A NH1 ASN 541.A OD1 no hydrogen 2.834 N/A LEU 543.A N LEU 554.A O no hydrogen 2.685 N/A GLU 544.A N TYR 537.A O no hydrogen 2.788 N/A ARG 546.A N TYR 535.A O no hydrogen 3.134 N/A ARG 546.A NE TYR 537.A OH no hydrogen 3.086 N/A GLY 547.A N GLU 548.A OE1 no hydrogen 2.582 N/A LEU 554.A N LEU 543.A O no hydrogen 2.897 N/A THR 555.A N GLU 558.A OE1 no hydrogen 3.098 N/A MET 556.A N ASN 541.A O no hydrogen 3.047 N/A GLU 558.A N THR 555.A O no hydrogen 3.176 N/A GLU 558.A N THR 555.A OG1 no hydrogen 3.278 N/A GLN 560.A N LYS 576.A O no hydrogen 2.908 N/A GLU 563.A N LEU 574.A O no hydrogen 3.177 N/A THR 565.A N CYS 572.A O no hydrogen 3.230 N/A ILE 567.A N ARG 570.A O no hydrogen 2.820 N/A ARG 570.A NH2 CYS 587.A O no hydrogen 2.468 N/A CYS 572.A N THR 565.A O no hydrogen 2.887 N/A CYS 572.A SG ARG 570.A O no hydrogen 3.281 N/A LEU 573.A N LEU 585.A O no hydrogen 2.823 N/A LEU 574.A N GLU 563.A O no hydrogen 3.039 N/A LEU 575.A N PHE 583.A O no hydrogen 2.642 N/A ILE 577.A N LYS 581.A O no hydrogen 2.643 N/A GLY 580.A N ILE 577.A O no hydrogen 3.247 N/A PHE 583.A N LEU 575.A O no hydrogen 2.587 N/A LEU 585.A N LEU 573.A O no hydrogen 2.909 N/A GLN 586.A N SER 521.A O no hydrogen 2.694 N/A SER 589.A OG GLU 592.A OE2 no hydrogen 3.356 N/A ASP 590.A N ASN 153.A OD1 no hydrogen 2.989 N/A LEU 593.A N SER 589.A O no hydrogen 3.294 N/A VAL 594.A N ASP 590.A O no hydrogen 2.988 N/A GLN 595.A N PRO 591.A O no hydrogen 3.005 N/A GLN 595.A NE2 ASP 19.A OD2 no hydrogen 2.900 N/A TRP 596.A N GLU 592.A O no hydrogen 2.898 N/A LYS 597.A N LEU 593.A O no hydrogen 3.072 N/A LYS 598.A N VAL 594.A O no hydrogen 3.179 N/A GLU 599.A N GLN 595.A O no hydrogen 2.774 N/A LEU 600.A N TRP 596.A O no hydrogen 2.847 N/A ARG 601.A N LYS 597.A O no hydrogen 3.258 N/A ARG 601.A NE VAL 562.A O no hydrogen 2.831 N/A ARG 601.A NH2 VAL 562.A O no hydrogen 2.712 N/A ARG 601.A NH2 GLU 563.A OE1 no hydrogen 3.452 N/A ASP 602.A N LYS 598.A O no hydrogen 2.910 N/A ALA 603.A N GLU 599.A O no hydrogen 2.800 N/A TYR 604.A N LEU 600.A O no hydrogen 3.154 N/A ARG 605.A N ARG 601.A O no hydrogen 3.187 N/A GLU 606.A N ASP 602.A O no hydrogen 3.204 N/A ALA 607.A N ALA 603.A O no hydrogen 2.905 N/A GLN 608.A N TYR 604.A O no hydrogen 3.250 N/A GLN 608.A NE2 MET 556.A O no hydrogen 2.994 N/A GLN 608.A NE2 ILE 559.A O no hydrogen 2.587 N/A GLN 609.A N ARG 605.A O no hydrogen 3.170 N/A LEU 610.A N GLU 606.A O no hydrogen 3.027 N/A VAL 611.A N ALA 607.A O no hydrogen 2.764 N/A GLN 612.A N GLN 608.A O no hydrogen 3.160 N/A ARG 613.A N LEU 610.A O no hydrogen 3.189 N/A VAL 614.A N VAL 611.A O no hydrogen 3.157 N/A MET 617.A N VAL 614.A O no hydrogen 3.215 N/A LYS 618.A N VAL 614.A O no hydrogen 3.041 N/A LYS 618.A NZ GLN 612.A O no hydrogen 3.228 N/A