Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ae5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH ASP 446.A OD1 no hydrogen 2.939 N/A VAL 7.A N ILE 193.A O no hydrogen 3.153 N/A HIS 9.A N ARG 195.A O no hydrogen 2.987 N/A HIS 9.A NE2 HIS 194.A ND1 no hydrogen 3.133 N/A PHE 11.A N ARG 197.A O no hydrogen 3.066 N/A ASP 12.A N ASN 35.A O no hydrogen 2.952 N/A VAL 14.A N ASN 200.A O no hydrogen 3.164 N/A VAL 15.A N ALA 37.A O no hydrogen 2.800 N/A VAL 16.A N VAL 202.A O no hydrogen 2.860 N/A GLY 17.A N VAL 39.A O no hydrogen 2.760 N/A GLY 22.A N GLY 19.A O no hydrogen 3.060 N/A ARG 24.A N GLY 20.A O no hydrogen 2.838 N/A ARG 24.A NE GLU 101.A OE2 no hydrogen 3.221 N/A ARG 24.A NH1 ARG 24.A O no hydrogen 2.845 N/A ARG 24.A NH2 GLU 101.A OE1 no hydrogen 3.199 N/A ARG 24.A NH2 GLU 101.A OE2 no hydrogen 3.053 N/A ALA 25.A N ALA 21.A O no hydrogen 2.905 N/A ALA 26.A N GLY 22.A O no hydrogen 2.912 N/A PHE 27.A N LEU 23.A O no hydrogen 3.362 N/A GLY 28.A N ARG 24.A O no hydrogen 3.322 N/A LEU 29.A N ALA 26.A O no hydrogen 3.242 N/A SER 30.A N ALA 26.A O no hydrogen 3.390 N/A SER 30.A OG THR 36.A OG1 no hydrogen 3.360 N/A SER 30.A OG THR 162.A OG1 no hydrogen 2.721 N/A GLU 31.A N PHE 27.A O no hydrogen 2.790 N/A GLY 33.A N SER 30.A O no hydrogen 3.053 N/A PHE 34.A N LEU 29.A O no hydrogen 3.102 N/A ASN 35.A N ASP 12.A OD1 no hydrogen 2.907 N/A THR 36.A OG1 SER 30.A OG no hydrogen 3.360 N/A THR 36.A OG1 PHE 34.A O no hydrogen 2.959 N/A ALA 37.A N ALA 13.A O no hydrogen 2.904 N/A CYS 38.A N SER 163.A O no hydrogen 2.676 N/A CYS 38.A SG VAL 15.A O no hydrogen 3.907 N/A CYS 38.A SG GLY 17.A O no hydrogen 3.851 N/A VAL 39.A N VAL 15.A O no hydrogen 2.736 N/A THR 40.A N PHE 165.A O no hydrogen 3.264 N/A THR 40.A OG1 LEU 42.A O no hydrogen 2.575 N/A LYS 41.A NZ THR 220.A O no hydrogen 3.238 N/A LYS 41.A NZ ASP 224.A OD1 no hydrogen 3.204 N/A LEU 42.A N THR 40.A OG1 no hydrogen 3.292 N/A ARG 46.A N PHE 43.A O no hydrogen 2.607 N/A SER 47.A N PRO 44.A O no hydrogen 3.442 N/A SER 47.A OG PRO 44.A O no hydrogen 3.129 N/A ALA 52.A N THR 49.A O no hydrogen 3.069 N/A GLN 53.A NE2 ALA 51.A O no hydrogen 3.658 N/A GLN 53.A NE2 LEU 255.A O no hydrogen 3.359 N/A ILE 56.A N CYS 139.A O no hydrogen 2.685 N/A ASN 57.A N ALA 403.A O no hydrogen 3.181 N/A ASN 57.A ND2 GLY 402.A O no hydrogen 2.775 N/A ASN 57.A ND2 ASN 404.A OD1 no hydrogen 2.768 N/A ALA 58.A N ARG 137.A O no hydrogen 3.032 N/A ASN 62.A ND2 ILE 117.A O no hydrogen 3.267 N/A GLU 64.A N GLU 64.A OE2 no hydrogen 2.788 N/A ARG 69.A N ASN 67.A OD1 no hydrogen 2.935 N/A ARG 69.A NE ASP 602.A O no hydrogen 3.024 N/A ARG 69.A NH1 ASN 67.A OD1 no hydrogen 3.240 N/A ARG 69.A NH2 ASP 602.A OD1 no hydrogen 2.923 N/A TRP 70.A N ASN 67.A O no hydrogen 2.812 N/A HIS 71.A N ASN 67.A O no hydrogen 3.418 N/A HIS 71.A NE2 ASN 404.A OD1 no hydrogen 3.167 N/A PHE 72.A N TRP 68.A O no hydrogen 3.050 N/A TYR 73.A N ARG 69.A O no hydrogen 3.478 N/A ASP 74.A N TRP 70.A O no hydrogen 3.115 N/A THR 75.A N HIS 71.A O no hydrogen 3.241 N/A THR 75.A OG1 HIS 71.A O no hydrogen 2.933 N/A VAL 76.A N PHE 72.A O no hydrogen 2.879 N/A LYS 77.A N TYR 73.A O no hydrogen 2.961 N/A GLY 78.A N ASP 74.A O no hydrogen 2.972 N/A SER 79.A N THR 75.A O no hydrogen 2.979 N/A SER 79.A OG THR 75.A O no hydrogen 3.409 N/A SER 79.A OG VAL 76.A O no hydrogen 2.714 N/A ASP 80.A N LYS 77.A O no hydrogen 2.843 N/A TRP 81.A NE1 VAL 606.A O no hydrogen 3.176 N/A LEU 82.A N SER 79.A O no hydrogen 3.152 N/A ASP 84.A N SER 394.A O no hydrogen 3.019 N/A GLN 85.A N ILE 594.A O no hydrogen 2.928 N/A GLN 85.A NE2 VAL 606.A O no hydrogen 3.047 N/A ALA 87.A N ASP 84.A O no hydrogen 3.183 N/A ILE 88.A N ASP 84.A O no hydrogen 3.323 N/A HIS 89.A N GLN 85.A O no hydrogen 3.059 N/A TYR 90.A N ASP 86.A O no hydrogen 3.463 N/A MET 91.A N ALA 87.A O no hydrogen 2.976 N/A THR 92.A N ILE 88.A O no hydrogen 2.998 N/A THR 92.A OG1 ILE 88.A O no hydrogen 2.819 N/A THR 92.A OG1 HIS 89.A O no hydrogen 2.937 N/A GLU 93.A N HIS 89.A O no hydrogen 3.231 N/A GLN 94.A N TYR 90.A O no hydrogen 3.086 N/A SER 98.A N GLN 94.A O no hydrogen 2.796 N/A SER 98.A OG GLN 94.A O no hydrogen 3.527 N/A VAL 99.A N ALA 95.A O no hydrogen 3.135 N/A VAL 100.A N PRO 96.A O no hydrogen 2.967 N/A GLU 103.A N VAL 99.A O no hydrogen 2.958 N/A ASN 104.A N VAL 100.A O no hydrogen 3.084 N/A TYR 105.A N LEU 102.A O no hydrogen 3.047 N/A GLY 106.A N LEU 102.A O no hydrogen 3.143 N/A GLY 106.A N GLU 103.A O no hydrogen 3.058 N/A MET 107.A N LEU 102.A O no hydrogen 3.262 N/A PHE 109.A N MET 107.A O no hydrogen 2.698 N/A SER 110.A N CYS 140.A O no hydrogen 3.310 N/A SER 110.A OG CYS 140.A O no hydrogen 3.176 N/A ARG 111.A NE PHE 109.A O no hydrogen 2.897 N/A ARG 111.A NH1 GLY 115.A O no hydrogen 3.463 N/A ARG 111.A NH2 GLU 103.A OE2 no hydrogen 2.718 N/A THR 112.A N LYS 116.A O no hydrogen 3.295 N/A THR 112.A OG1 LYS 116.A O no hydrogen 2.972 N/A TYR 118.A N SER 110.A O no hydrogen 2.793 N/A TYR 118.A OH GLU 263.A OE2 no hydrogen 2.728 N/A ARG 120.A N CYS 138.A O no hydrogen 2.909 N/A GLY 124.A N LEU 286.A O no hydrogen 2.921 N/A GLN 125.A NE2 GLY 402.A O no hydrogen 3.198 N/A SER 126.A N ASP 74.A OD1 no hydrogen 2.744 N/A SER 126.A OG ASP 74.A OD1 no hydrogen 2.644 N/A SER 126.A OG ASP 74.A OD2 no hydrogen 3.209 N/A LEU 127.A N GLY 133.A O no hydrogen 3.245 N/A LYS 131.A N LEU 127.A O no hydrogen 3.135 N/A GLY 132.A N LEU 127.A O no hydrogen 2.863 N/A ALA 135.A N GLN 125.A O no hydrogen 2.792 N/A ARG 137.A NE ASP 66.A OD2 no hydrogen 2.768 N/A ARG 137.A NH2 ASP 66.A OD1 no hydrogen 3.412 N/A ARG 137.A NH2 SER 126.A O no hydrogen 3.236 N/A CYS 138.A N ARG 120.A O no hydrogen 3.253 N/A CYS 138.A SG GLY 54.A O no hydrogen 3.600 N/A CYS 139.A N ILE 56.A O no hydrogen 2.669 N/A CYS 140.A N TYR 118.A O no hydrogen 3.247 N/A CYS 140.A SG TYR 118.A O no hydrogen 3.756 N/A CYS 140.A SG CYS 138.A O no hydrogen 3.978 N/A ALA 142.A N SER 110.A OG no hydrogen 2.825 N/A ARG 144.A N VAL 141.A O no hydrogen 2.924 N/A GLY 146.A N ALA 52.A O no hydrogen 3.178 N/A SER 148.A N ARG 144.A O no hydrogen 3.477 N/A LEU 149.A N THR 145.A O no hydrogen 2.786 N/A LEU 150.A N GLY 146.A O no hydrogen 3.066 N/A HIS 151.A N HIS 147.A O no hydrogen 3.083 N/A THR 152.A N SER 148.A O no hydrogen 2.821 N/A THR 152.A OG1 SER 148.A O no hydrogen 2.606 N/A THR 152.A OG1 LEU 149.A O no hydrogen 3.511 N/A LEU 153.A N LEU 149.A O no hydrogen 3.229 N/A TYR 154.A N LEU 150.A O no hydrogen 3.002 N/A GLY 155.A N HIS 151.A O no hydrogen 2.722 N/A ARG 156.A N THR 152.A O no hydrogen 3.224 N/A SER 157.A N TYR 154.A O no hydrogen 3.010 N/A SER 157.A OG TYR 154.A O no hydrogen 2.509 N/A TYR 160.A N SER 157.A O no hydrogen 3.237 N/A THR 162.A OG1 SER 30.A OG no hydrogen 2.721 N/A SER 163.A N THR 36.A O no hydrogen 3.030 N/A PHE 165.A N CYS 38.A O no hydrogen 2.752 N/A TYR 168.A N THR 40.A O no hydrogen 2.724 N/A LEU 171.A N ILE 184.A O no hydrogen 2.893 N/A LEU 174.A N GLY 182.A O no hydrogen 2.716 N/A GLU 176.A N GLU 179.A O no hydrogen 2.951 N/A GLU 179.A N GLU 176.A O no hydrogen 3.334 N/A CYS 180.A N PRO 382.A O no hydrogen 2.949 N/A CYS 180.A SG LEU 174.A O no hydrogen 3.596 N/A CYS 180.A SG GLY 182.A O no hydrogen 3.572 N/A CYS 180.A SG THR 201.A OG1 no hydrogen 3.293 N/A ARG 181.A N LEU 174.A O no hydrogen 2.780 N/A ARG 181.A NH2 GLU 176.A O no hydrogen 3.547 N/A VAL 183.A N ILE 196.A O no hydrogen 3.035 N/A ILE 184.A N ASP 172.A O no hydrogen 2.953 N/A ALA 185.A N HIS 194.A O no hydrogen 2.703 N/A LEU 186.A N PHE 169.A O no hydrogen 2.663 N/A CYS 187.A N SER 192.A O no hydrogen 3.053 N/A CYS 187.A SG ASP 190.A OD1 no hydrogen 3.310 N/A ILE 188.A N GLU 167.A O no hydrogen 3.169 N/A SER 192.A N ASP 190.A OD1 no hydrogen 2.948 N/A SER 192.A OG ASP 190.A OD1 no hydrogen 2.664 N/A SER 192.A OG HIS 194.A NE2 no hydrogen 2.778 N/A HIS 194.A N ALA 185.A O no hydrogen 2.784 N/A HIS 194.A ND1 HIS 9.A NE2 no hydrogen 3.133 N/A ARG 195.A N VAL 7.A O no hydrogen 2.861 N/A ILE 196.A N VAL 183.A O no hydrogen 2.849 N/A ARG 197.A N HIS 9.A O no hydrogen 3.331 N/A ARG 197.A NH1 VAL 430.A O no hydrogen 3.410 N/A ALA 198.A N ARG 181.A O no hydrogen 2.573 N/A ARG 199.A N ASP 12.A O no hydrogen 3.113 N/A ARG 199.A NE LYS 429.A O no hydrogen 3.329 N/A ASN 200.A N ASP 12.A O no hydrogen 3.422 N/A VAL 202.A N VAL 14.A O no hydrogen 2.705 N/A VAL 203.A N TYR 385.A O no hydrogen 2.710 N/A ALA 204.A N VAL 16.A O no hydrogen 2.748 N/A GLY 207.A N GLU 389.A OE1 no hydrogen 3.042 N/A TYR 208.A N ASN 358.A OD1 no hydrogen 2.732 N/A TYR 208.A OH THR 527.A OG1 no hydrogen 3.209 N/A ARG 210.A N SER 221.A O no hydrogen 3.281 N/A ARG 210.A NE ALA 218.A O no hydrogen 3.312 N/A ARG 210.A NH2 SER 217.A O no hydrogen 3.139 N/A THR 211.A N TYR 208.A O no hydrogen 3.051 N/A THR 211.A OG1 TYR 208.A O no hydrogen 2.635 N/A TYR 212.A N GLY 209.A O no hydrogen 3.380 N/A TYR 212.A OH ALA 472.A O no hydrogen 3.161 N/A PHE 213.A N GLN 465.A O no hydrogen 3.243 N/A SER 214.A N GLN 469.A OE1 no hydrogen 3.034 N/A CYS 215.A SG SER 217.A O no hydrogen 3.404 N/A CYS 215.A SG SER 217.A OG no hydrogen 3.153 N/A THR 216.A N VAL 355.A O no hydrogen 3.058 N/A THR 216.A OG1 VAL 355.A O no hydrogen 3.416 N/A THR 216.A OG1 HIS 356.A ND1 no hydrogen 2.714 N/A ALA 218.A N HIS 48.A ND1 no hydrogen 3.117 N/A SER 221.A N ALA 218.A O no hydrogen 3.152 N/A SER 221.A OG ALA 218.A O no hydrogen 3.407 N/A THR 222.A OG1 ASP 224.A OD1 no hydrogen 2.617 N/A THR 222.A OG1 ASP 224.A OD2 no hydrogen 3.345 N/A GLY 223.A N GLY 207.A O no hydrogen 2.850 N/A GLY 225.A N THR 205.A OG1 no hydrogen 2.952 N/A ALA 227.A N GLY 223.A O no hydrogen 3.372 N/A MET 228.A N ASP 224.A O no hydrogen 2.793 N/A VAL 229.A N GLY 225.A O no hydrogen 2.985 N/A THR 230.A N THR 226.A O no hydrogen 3.371 N/A THR 230.A OG1 THR 226.A O no hydrogen 2.525 N/A ARG 231.A N ALA 227.A O no hydrogen 2.949 N/A ARG 231.A NE ASP 172.A OD1 no hydrogen 2.554 N/A ARG 231.A NH1 ASN 519.A OD1 no hydrogen 3.028 N/A ARG 231.A NH2 LEU 171.A O no hydrogen 3.169 N/A ARG 231.A NH2 ASN 519.A OD1 no hydrogen 3.079 N/A ALA 232.A N VAL 229.A O no hydrogen 3.200 N/A GLY 233.A N THR 230.A O no hydrogen 3.111 N/A LEU 234.A N VAL 229.A O no hydrogen 3.100 N/A CYS 236.A N SER 577.A O no hydrogen 2.964 N/A CYS 236.A SG THR 226.A O no hydrogen 3.762 N/A CYS 236.A SG THR 230.A OG1 no hydrogen 3.255 N/A CYS 236.A SG GLN 526.A OE1 no hydrogen 3.746 N/A GLN 237.A N GLY 361.A O no hydrogen 2.735 N/A ASP 238.A N THR 575.A O no hydrogen 2.831 N/A GLU 240.A N GLU 240.A OE1 no hydrogen 2.774 N/A PHE 241.A N ASP 238.A O no hydrogen 3.279 N/A GLN 243.A N TYR 357.A O no hydrogen 2.873 N/A GLN 243.A NE2 ARG 400.A O no hydrogen 3.181 N/A HIS 245.A N THR 354.A O no hydrogen 2.826 N/A HIS 245.A NE2 THR 247.A OG1 no hydrogen 2.817 N/A THR 247.A OG1 HIS 245.A NE2 no hydrogen 2.817 N/A THR 247.A OG1 ILE 256.A O no hydrogen 2.862 N/A ILE 249.A N CYS 254.A O no hydrogen 2.790 N/A TYR 250.A OH ASP 311.A OD2 no hydrogen 3.058 N/A ILE 256.A N THR 247.A O no hydrogen 3.401 N/A GLY 259.A N THR 257.A OG1 no hydrogen 2.795 N/A CYS 260.A N THR 257.A O no hydrogen 3.344 N/A CYS 260.A SG THR 257.A O no hydrogen 3.236 N/A ARG 261.A NH2 THR 247.A OG1 no hydrogen 3.345 N/A GLY 262.A N GLU 258.A O no hydrogen 3.039 N/A GLU 263.A N GLY 259.A O no hydrogen 2.934 N/A GLY 264.A N CYS 260.A O no hydrogen 3.251 N/A GLY 265.A N CYS 260.A O no hydrogen 2.639 N/A ILE 268.A N TYR 314.A O no hydrogen 3.244 N/A ASN 269.A N GLU 273.A O no hydrogen 3.470 N/A ASN 269.A ND2 GLU 299.A OE1 no hydrogen 3.044 N/A SER 270.A OG ARG 304.A O no hydrogen 2.902 N/A GLY 272.A N ASN 269.A OD1 no hydrogen 3.172 N/A ARG 274.A NE ASP 285.A OD2 no hydrogen 3.277 N/A ARG 274.A NH2 ASP 285.A OD1 no hydrogen 2.927 N/A ARG 274.A NH2 ASP 285.A OD2 no hydrogen 2.785 N/A ALA 283.A N TYR 613.A OXT no hydrogen 3.195 N/A LYS 284.A NZ GLU 277.A OE2 no hydrogen 3.218 N/A LEU 286.A N ALA 283.A O no hydrogen 3.378 N/A VAL 291.A N SER 288.A O no hydrogen 2.977 N/A VAL 292.A N SER 288.A O no hydrogen 3.168 N/A SER 293.A N ARG 289.A O no hydrogen 3.100 N/A SER 293.A OG PHE 244.A O no hydrogen 3.450 N/A SER 293.A OG ARG 289.A O no hydrogen 2.685 N/A ARG 294.A NH1 GLY 539.A O no hydrogen 3.431 N/A ARG 294.A NH2 GLY 539.A O no hydrogen 2.737 N/A SER 295.A N VAL 291.A O no hydrogen 3.095 N/A SER 295.A OG VAL 291.A O no hydrogen 2.620 N/A MET 296.A N VAL 292.A O no hydrogen 2.950 N/A THR 297.A N SER 293.A O no hydrogen 3.202 N/A THR 297.A OG1 SER 293.A O no hydrogen 2.812 N/A LEU 298.A N ARG 294.A O no hydrogen 3.340 N/A GLU 299.A N SER 295.A O no hydrogen 2.880 N/A ILE 300.A N THR 297.A O no hydrogen 3.348 N/A GLY 303.A N ILE 300.A O no hydrogen 3.127 N/A ARG 304.A N GLU 299.A O no hydrogen 3.318 N/A CYS 306.A N HIS 312.A O no hydrogen 2.912 N/A LYS 310.A N GLY 307.A O no hydrogen 3.206 N/A LYS 310.A NZ GLY 305.A O no hydrogen 3.165 N/A VAL 313.A N VAL 351.A O no hydrogen 3.083 N/A LEU 315.A N ILE 349.A O no hydrogen 2.704 N/A GLN 316.A N ILE 266.A O no hydrogen 2.838 N/A HIS 319.A NE2 GLY 264.A O no hydrogen 3.049 N/A LEU 320.A N LEU 317.A O no hydrogen 3.247 N/A LEU 325.A N PRO 321.A O no hydrogen 3.209 N/A ALA 326.A N PRO 322.A O no hydrogen 3.399 N/A VAL 327.A N GLN 324.A O no hydrogen 3.258 N/A ARG 328.A N GLN 324.A O no hydrogen 2.735 N/A LEU 329.A N LEU 325.A O no hydrogen 3.253 N/A ILE 332.A N ASP 143.A OD2 no hydrogen 2.622 N/A SER 333.A OG LEU 329.A O no hydrogen 2.658 N/A GLU 334.A N PRO 330.A O no hydrogen 3.311 N/A THR 335.A N GLY 331.A O no hydrogen 3.223 N/A THR 335.A OG1 GLY 331.A O no hydrogen 2.705 N/A ALA 336.A N ILE 332.A O no hydrogen 3.105 N/A MET 337.A N GLU 334.A O no hydrogen 3.221 N/A VAL 342.A N ALA 336.A O no hydrogen 3.311 N/A LYS 346.A N ASP 343.A O no hydrogen 3.305 N/A GLU 347.A N ASP 343.A O no hydrogen 2.778 N/A ILE 349.A N LEU 315.A O no hydrogen 2.846 N/A VAL 351.A N VAL 313.A O no hydrogen 2.705 N/A THR 354.A N HIS 245.A O no hydrogen 2.983 N/A HIS 356.A N GLN 243.A O no hydrogen 2.819 N/A TYR 357.A OH ASP 408.A OD2 no hydrogen 3.338 N/A ASN 358.A N GLU 389.A OE2 no hydrogen 3.336 N/A GLY 361.A N GLN 237.A O no hydrogen 2.862 N/A ILE 362.A N ALA 390.A O no hydrogen 2.969 N/A THR 364.A N CYS 392.A O no hydrogen 3.085 N/A THR 364.A OG1 ILE 362.A O no hydrogen 2.781 N/A ASN 365.A N GLN 369.A O no hydrogen 2.614 N/A LYS 367.A N ASN 365.A OD1 no hydrogen 3.398 N/A GLY 368.A N ASN 365.A O no hydrogen 2.786 N/A VAL 370.A N LEU 384.A O no hydrogen 3.027 N/A LEU 371.A N PRO 363.A O no hydrogen 2.787 N/A ARG 372.A N GLN 379.A O no hydrogen 2.928 N/A ARG 372.A NH1 GLN 379.A OE1 no hydrogen 2.764 N/A VAL 374.A N GLN 377.A O no hydrogen 3.105 N/A GLN 377.A N VAL 374.A O no hydrogen 2.890 N/A VAL 381.A N VAL 370.A O no hydrogen 2.860 N/A TYR 385.A N THR 201.A O no hydrogen 2.656 N/A ALA 386.A N GLY 368.A O no hydrogen 2.949 N/A CYS 387.A N VAL 203.A O no hydrogen 3.259 N/A CYS 387.A SG ALA 21.A O no hydrogen 3.999 N/A CYS 392.A N ILE 362.A O no hydrogen 2.755 N/A CYS 392.A SG GLN 237.A OE1 no hydrogen 3.263 N/A CYS 392.A SG ASP 238.A OD2 no hydrogen 3.911 N/A CYS 392.A SG MET 359.A O no hydrogen 3.537 N/A SER 394.A OG ASP 238.A OD2 no hydrogen 3.076 N/A ALA 398.A N SER 79.A O no hydrogen 2.880 N/A ARG 400.A NH1 GLN 243.A OE1 no hydrogen 2.735 N/A ASN 404.A N LEU 401.A O no hydrogen 3.282 N/A ASN 404.A ND2 THR 75.A OG1 no hydrogen 3.001 N/A ASP 408.A N ASN 404.A O no hydrogen 3.174 N/A LEU 409.A N SER 405.A O no hydrogen 2.798 N/A VAL 410.A N LEU 406.A O no hydrogen 3.311 N/A VAL 411.A N LEU 407.A O no hydrogen 2.854 N/A PHE 412.A N ASP 408.A O no hydrogen 3.362 N/A GLY 413.A N LEU 409.A O no hydrogen 2.840 N/A ARG 414.A N VAL 410.A O no hydrogen 2.959 N/A ALA 415.A N VAL 411.A O no hydrogen 2.824 N/A CYS 416.A N PHE 412.A O no hydrogen 2.848 N/A CYS 416.A SG GLY 368.A O no hydrogen 3.973 N/A CYS 416.A SG ALA 386.A O no hydrogen 3.638 N/A CYS 416.A SG PHE 412.A O no hydrogen 3.280 N/A ALA 417.A N GLY 413.A O no hydrogen 3.195 N/A LEU 418.A N ARG 414.A O no hydrogen 2.875 N/A SER 419.A N ALA 415.A O no hydrogen 2.911 N/A SER 419.A OG LYS 367.A O no hydrogen 2.974 N/A SER 419.A OG ALA 415.A O no hydrogen 3.132 N/A ILE 420.A N ALA 417.A O no hydrogen 3.249 N/A ALA 421.A N ALA 417.A O no hydrogen 2.966 N/A GLU 422.A N LEU 418.A O no hydrogen 2.820 N/A SER 423.A N SER 419.A O no hydrogen 3.235 N/A SER 423.A OG SER 419.A O no hydrogen 2.762 N/A SER 423.A OG ILE 420.A O no hydrogen 3.527 N/A CYS 424.A N ILE 420.A O no hydrogen 3.208 N/A CYS 424.A SG ILE 420.A O no hydrogen 3.644 N/A ARG 425.A NH2 ALA 421.A O no hydrogen 3.010 N/A GLY 427.A N ASP 12.A OD2 no hydrogen 3.441 N/A LYS 429.A NZ VAL 430.A O no hydrogen 3.277 N/A ALA 437.A N LYS 434.A O no hydrogen 3.033 N/A SER 441.A OG ASP 172.A OD2 no hydrogen 2.829 N/A ASN 444.A N GLU 440.A O no hydrogen 2.982 N/A ASN 444.A ND2 GLN 518.A OE1 no hydrogen 2.982 N/A LEU 445.A N SER 441.A O no hydrogen 3.233 N/A ASP 446.A N VAL 442.A O no hydrogen 2.714 N/A LYS 447.A N MET 443.A O no hydrogen 3.194 N/A LEU 448.A N ASN 444.A O no hydrogen 3.368 N/A ARG 449.A N LEU 445.A O no hydrogen 3.167 N/A PHE 450.A N ASP 446.A O no hydrogen 3.219 N/A THR 454.A N HIS 497.A O no hydrogen 2.683 N/A ILE 455.A N HIS 497.A O no hydrogen 2.946 N/A THR 457.A OG1 LYS 499.A O no hydrogen 3.235 N/A LEU 460.A N ARG 456.A O no hydrogen 3.172 N/A ARG 461.A N THR 457.A O no hydrogen 3.264 N/A ARG 461.A NH2 GLU 513.A OE1 no hydrogen 2.766 N/A LEU 462.A N SER 458.A O no hydrogen 3.270 N/A SER 463.A OG GLU 459.A O no hydrogen 2.681 N/A MET 464.A N LEU 460.A O no hydrogen 3.316 N/A GLN 465.A N ARG 461.A O no hydrogen 3.026 N/A LYS 466.A N LEU 462.A O no hydrogen 3.042 N/A SER 467.A N SER 463.A O no hydrogen 3.363 N/A SER 467.A OG SER 463.A O no hydrogen 2.613 N/A MET 468.A N MET 464.A O no hydrogen 2.937 N/A GLN 469.A N GLN 465.A O no hydrogen 2.952 N/A SER 470.A N LYS 466.A O no hydrogen 3.149 N/A SER 470.A OG LYS 466.A O no hydrogen 2.920 N/A SER 470.A OG HIS 471.A ND1 no hydrogen 3.048 N/A HIS 471.A ND1 SER 467.A O no hydrogen 2.639 N/A ALA 472.A N MET 468.A O no hydrogen 3.064 N/A ARG 476.A N ALA 542.A O no hydrogen 3.355 N/A ARG 476.A NH2 GLU 240.A O no hydrogen 3.402 N/A LEU 481.A N VAL 477.A O no hydrogen 2.812 N/A GLN 482.A N GLY 478.A O no hydrogen 3.364 N/A GLY 484.A N VAL 480.A O no hydrogen 3.058 N/A CYS 485.A N LEU 481.A O no hydrogen 2.849 N/A CYS 485.A SG LEU 481.A O no hydrogen 3.190 N/A CYS 485.A SG ILE 528.A O no hydrogen 3.511 N/A GLU 486.A N GLN 482.A O no hydrogen 3.371 N/A LYS 487.A N GLU 483.A O no hydrogen 3.044 N/A LYS 487.A NZ SER 467.A OG no hydrogen 3.401 N/A ILE 488.A N GLY 484.A O no hydrogen 2.896 N/A LEU 489.A N CYS 485.A O no hydrogen 2.850 N/A ARG 490.A N GLU 486.A O no hydrogen 3.335 N/A ARG 490.A NH1 ASP 494.A OD2 no hydrogen 3.065 N/A LEU 491.A N LYS 487.A O no hydrogen 3.297 N/A TYR 492.A N ILE 488.A O no hydrogen 3.047 N/A TYR 492.A N LEU 489.A O no hydrogen 3.210 N/A TYR 492.A OH VAL 581.A O no hydrogen 3.103 N/A ASP 494.A N LEU 491.A O no hydrogen 3.008 N/A LEU 495.A N TYR 492.A O no hydrogen 3.440 N/A GLN 496.A NE2 HIS 497.A NE2 no hydrogen 3.569 N/A HIS 497.A N ASP 494.A O no hydrogen 3.208 N/A LYS 499.A N ILE 455.A O no hydrogen 2.710 N/A THR 500.A OG1 ASP 510.A OD2 no hydrogen 2.751 N/A PHE 501.A N ASP 510.A OD2 no hydrogen 2.859 N/A ASP 502.A N ASP 510.A OD2 no hydrogen 2.878 N/A ARG 503.A NH1 ASP 502.A O no hydrogen 3.421 N/A ARG 503.A NH2 ALA 451.A O no hydrogen 2.864 N/A GLY 504.A N ASP 502.A OD1 no hydrogen 2.713 N/A TRP 507.A N ILE 188.A O no hydrogen 3.007 N/A ASN 508.A ND2 ASP 502.A O no hydrogen 3.489 N/A ASN 508.A ND2 GLY 504.A O no hydrogen 2.978 N/A LEU 511.A N ASN 508.A O no hydrogen 2.998 N/A LEU 511.A N ASN 508.A OD1 no hydrogen 2.950 N/A VAL 512.A N ASN 508.A O no hydrogen 3.057 N/A GLU 513.A N THR 509.A O no hydrogen 3.003 N/A THR 514.A OG1 ASP 510.A O no hydrogen 2.567 N/A LEU 515.A N LEU 511.A O no hydrogen 3.018 N/A GLU 516.A N VAL 512.A O no hydrogen 2.809 N/A LEU 517.A N GLU 513.A O no hydrogen 2.808 N/A GLN 518.A N THR 514.A O no hydrogen 3.039 N/A GLN 518.A NE2 ASN 444.A OD1 no hydrogen 2.833 N/A ASN 519.A N LEU 515.A O no hydrogen 3.188 N/A ASN 519.A ND2 ASP 224.A O no hydrogen 3.391 N/A LEU 520.A N LEU 517.A O no hydrogen 3.028 N/A MET 521.A N LEU 517.A O no hydrogen 2.879 N/A CYS 523.A SG GLY 223.A O no hydrogen 3.240 N/A CYS 523.A SG ASN 519.A O no hydrogen 3.295 N/A ALA 524.A N LEU 520.A O no hydrogen 2.791 N/A LEU 525.A N MET 521.A O no hydrogen 2.796 N/A GLN 526.A NE2 LEU 522.A O no hydrogen 3.210 N/A THR 527.A OG1 TYR 208.A OH no hydrogen 3.209 N/A THR 527.A OG1 LEU 239.A O no hydrogen 3.240 N/A THR 527.A OG1 CYS 523.A O no hydrogen 2.646 N/A ILE 528.A N ALA 524.A O no hydrogen 3.044 N/A TYR 529.A N LEU 525.A O no hydrogen 3.170 N/A GLY 530.A N GLN 526.A O no hydrogen 3.037 N/A ALA 531.A N THR 527.A O no hydrogen 3.094 N/A GLU 532.A N ILE 528.A O no hydrogen 3.164 N/A ALA 533.A N TYR 529.A O no hydrogen 3.053 N/A ARG 534.A N GLY 530.A O no hydrogen 3.139 N/A ARG 534.A NE GLU 240.A OE2 no hydrogen 3.323 N/A ARG 534.A NH1 GLU 536.A OE2 no hydrogen 2.809 N/A ARG 534.A NH1 TRP 571.A O no hydrogen 2.863 N/A ARG 534.A NH2 LYS 573.A O no hydrogen 2.718 N/A ARG 534.A NH2 THR 575.A OG1 no hydrogen 2.806 N/A SER 537.A N GLU 548.A O no hydrogen 2.747 N/A SER 537.A OG PHE 546.A O no hydrogen 3.099 N/A ARG 538.A N HIS 541.A O no hydrogen 3.368 N/A ARG 538.A NE GLU 536.A OE2 no hydrogen 2.702 N/A ARG 538.A NH1 ASP 80.A O no hydrogen 3.240 N/A ARG 538.A NH1 ASP 551.A OD1 no hydrogen 2.877 N/A ARG 538.A NH2 GLU 536.A OE2 no hydrogen 3.404 N/A ARG 538.A NH2 ASP 551.A OD1 no hydrogen 2.798 N/A ALA 540.A N ALA 398.A O no hydrogen 3.316 N/A ARG 543.A N SER 537.A OG no hydrogen 3.152 N/A ARG 543.A NE ASP 545.A OD1 no hydrogen 2.890 N/A ARG 543.A NH1 GLU 532.A O no hydrogen 3.345 N/A ARG 543.A NH2 ASP 545.A OD2 no hydrogen 3.297 N/A ARG 549.A NE ASP 551.A OD1 no hydrogen 3.103 N/A ARG 549.A NE ASP 551.A OD2 no hydrogen 3.313 N/A ARG 549.A NH1 ALA 609.A O no hydrogen 3.490 N/A ARG 549.A NH2 ASP 551.A OD2 no hydrogen 2.759 N/A ARG 549.A NH2 ALA 609.A O no hydrogen 3.124 N/A VAL 550.A N GLU 536.A OE1 no hydrogen 3.118 N/A TYR 555.A OH GLU 552.A OE1 no hydrogen 2.709 N/A SER 556.A OG ASP 554.A OD1 no hydrogen 3.133 N/A SER 556.A OG ASP 554.A OD2 no hydrogen 2.781 N/A GLN 562.A NE2 ASP 554.A O no hydrogen 3.542 N/A LYS 565.A NZ ASP 551.A O no hydrogen 3.377 N/A GLU 569.A N PRO 566.A O no hydrogen 3.244 N/A HIS 570.A ND1 PRO 566.A O no hydrogen 3.057 N/A TRP 571.A N VAL 550.A O no hydrogen 3.259 N/A ARG 572.A NE TRP 81.A O no hydrogen 3.151 N/A ARG 572.A NH1 ASP 595.A OD1 no hydrogen 2.942 N/A ARG 572.A NH2 ASP 595.A OD1 no hydrogen 2.812 N/A LYS 573.A N TRP 571.A O no hydrogen 2.778 N/A LYS 573.A NZ PHE 567.A O no hydrogen 3.143 N/A HIS 574.A N ARG 591.A O no hydrogen 2.734 N/A HIS 574.A ND1 ASP 238.A OD2 no hydrogen 2.793 N/A HIS 574.A NE2 ASP 84.A OD1 no hydrogen 2.677 N/A THR 575.A N ASP 238.A OD1 no hydrogen 3.136 N/A THR 575.A OG1 GLU 240.A OE2 no hydrogen 2.706 N/A LEU 576.A N GLU 589.A O no hydrogen 2.895 N/A SER 577.A N CYS 236.A O no hydrogen 2.963 N/A SER 577.A OG CYS 236.A O no hydrogen 3.256 N/A SER 577.A OG GLN 526.A OE1 no hydrogen 2.762 N/A TYR 578.A N SER 587.A O no hydrogen 2.843 N/A TYR 578.A OH GLU 589.A OE2 no hydrogen 3.156 N/A ASP 580.A N LYS 585.A O no hydrogen 3.525 N/A THR 583.A N ASP 580.A OD1 no hydrogen 3.513 N/A THR 583.A OG1 ASP 580.A OD1 no hydrogen 2.979 N/A GLY 584.A N ASP 580.A O no hydrogen 2.903 N/A SER 587.A N TYR 578.A O no hydrogen 3.211 N/A GLU 589.A N LEU 576.A O no hydrogen 2.755 N/A ARG 591.A N HIS 574.A O no hydrogen 3.082 N/A ILE 594.A N ASP 84.A OD1 no hydrogen 2.780 N/A THR 597.A OG1 GLU 600.A OE2 no hydrogen 3.498 N/A THR 597.A OG1 CYS 603.A O no hydrogen 3.079 N/A LEU 598.A N HIS 89.A ND1 no hydrogen 3.370 N/A CYS 603.A N ASN 599.A O no hydrogen 2.921 N/A THR 605.A N GLU 600.A OE1 no hydrogen 3.277 N/A THR 605.A OG1 ASP 595.A O no hydrogen 3.206 N/A THR 605.A OG1 GLU 600.A OE2 no hydrogen 3.193 N/A ARG 611.A NH2 GLY 78.A O no hydrogen 3.358 N/A ARG 611.A NH2 ASP 290.A OD2 no hydrogen 2.819 N/A