Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2nup_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N VAL 530.A O no hydrogen 2.822 N/A LEU 8.A N LEU 528.A O no hydrogen 2.910 N/A LEU 9.A N ASN 7.A OD1 no hydrogen 3.039 N/A GLN 10.A N ASN 7.A O no hydrogen 3.022 N/A GLU 11.A N ASN 7.A O no hydrogen 3.168 N/A LEU 27.A N PRO 25.A O no hydrogen 2.776 N/A GLN 32.A N HIS 28.A O no hydrogen 3.024 N/A LYS 33.A N GLU 29.A O no hydrogen 3.154 N/A LEU 34.A N ILE 31.A O no hydrogen 2.904 N/A ASN 35.A N GLN 32.A O no hydrogen 2.964 N/A ASN 35.A ND2 GLN 32.A OE1 no hydrogen 2.894 N/A ASN 35.A ND2 CYS 467.A O no hydrogen 3.242 N/A CYS 36.A N ASN 35.A OD1 no hydrogen 3.207 N/A CYS 36.A SG ASN 37.A O no hydrogen 3.416 N/A LEU 40.A N ASN 37.A O no hydrogen 2.861 N/A PHE 41.A N ASN 37.A O no hydrogen 3.030 N/A ARG 42.A N LEU 65.A O no hydrogen 3.054 N/A ARG 42.A NE PRO 38.A O no hydrogen 3.284 N/A ARG 42.A NH1 ASP 482.A OD2 no hydrogen 3.462 N/A ARG 42.A NH2 PRO 38.A O no hydrogen 3.557 N/A CYS 43.A SG LEU 45.A O no hydrogen 3.084 N/A CYS 43.A SG GLY 63.A O no hydrogen 3.797 N/A THR 44.A N GLY 63.A O no hydrogen 3.051 N/A THR 44.A OG1 PRO 61.A O no hydrogen 2.840 N/A THR 44.A OG1 GLY 63.A O no hydrogen 3.310 N/A THR 46.A N GLY 480.A O no hydrogen 3.354 N/A THR 46.A OG1 GLY 480.A O no hydrogen 3.283 N/A ILE 48.A N PRO 469.A O no hydrogen 3.100 N/A GLN 50.A N VAL 471.A O no hydrogen 2.861 N/A GLN 50.A NE2 LEU 438.A O no hydrogen 3.011 N/A GLN 52.A NE2 GLN 52.A O no hydrogen 3.664 N/A GLN 52.A NE2 ASN 56.A OD1 no hydrogen 3.284 N/A LEU 54.A N THR 51.A OG1 no hydrogen 2.824 N/A LEU 55.A N THR 51.A O no hydrogen 2.851 N/A ASN 56.A N GLN 52.A O no hydrogen 2.808 N/A LYS 57.A N ALA 53.A O no hydrogen 3.083 N/A ALA 58.A N LEU 54.A O no hydrogen 3.249 N/A LYS 59.A N ASN 56.A O no hydrogen 3.229 N/A GLY 63.A N THR 44.A OG1 no hydrogen 3.075 N/A LEU 64.A N VAL 430.A O no hydrogen 2.889 N/A LEU 65.A N ARG 42.A O no hydrogen 2.942 N/A LEU 66.A N TYR 428.A O no hydrogen 2.789 N/A HIS 67.A N LEU 40.A O no hydrogen 2.953 N/A LYS 70.A N HIS 67.A O no hydrogen 3.079 N/A VAL 78.A N GLU 135.A O no hydrogen 2.996 N/A SER 80.A OG GLU 128.A OE2 no hydrogen 3.229 N/A ARG 85.A NE ARG 90.A O no hydrogen 2.744 N/A ARG 85.A NH1 TYR 142.A OH no hydrogen 3.322 N/A ARG 85.A NH2 ARG 90.A O no hydrogen 2.890 N/A CYS 86.A N THR 91.A O no hydrogen 2.927 N/A ARG 87.A N ASN 114.A OD1 no hydrogen 2.771 N/A CYS 89.A SG THR 91.A OG1 no hydrogen 2.868 N/A ARG 90.A N CYS 86.A O no hydrogen 3.060 N/A TYR 92.A N GLN 447.A OE1 no hydrogen 3.062 N/A ILE 93.A N VAL 84.A O no hydrogen 3.009 N/A VAL 97.A N ASN 94.A O no hydrogen 3.283 N/A SER 98.A N LYS 106.A O no hydrogen 3.142 N/A LEU 100.A N ARG 104.A O no hydrogen 3.254 N/A TRP 105.A N ASN 114.A O no hydrogen 2.752 N/A LYS 106.A N SER 98.A O no hydrogen 2.864 N/A CYS 107.A N ARG 112.A O no hydrogen 2.674 N/A TYR 111.A OH THR 441.A OG1 no hydrogen 2.840 N/A ARG 112.A NE VAL 113.A O no hydrogen 3.436 N/A ASN 114.A N TRP 105.A O no hydrogen 2.649 N/A VAL 116.A N ARG 103.A O no hydrogen 2.782 N/A GLU 119.A N PRO 117.A O no hydrogen 2.678 N/A PHE 120.A N PRO 117.A O no hydrogen 2.937 N/A ARG 125.A N GLU 122.A O no hydrogen 3.035 N/A ARG 126.A N PRO 123.A O no hydrogen 3.335 N/A ARG 126.A NH2 SER 80.A OG no hydrogen 3.265 N/A GLU 128.A N GLU 128.A OE1 no hydrogen 2.590 N/A VAL 129.A N ARG 126.A O no hydrogen 3.119 N/A GLN 130.A N PRO 127.A O no hydrogen 2.903 N/A GLN 130.A NE2 HIS 124.A O no hydrogen 3.005 N/A ASN 131.A ND2 PRO 127.A O no hydrogen 2.954 N/A THR 133.A OG1 HIS 464.A ND1 no hydrogen 2.566 N/A ILE 134.A N VAL 463.A O no hydrogen 3.100 N/A GLU 135.A N PRO 76.A O no hydrogen 2.817 N/A PHE 136.A N ILE 461.A O no hydrogen 2.640 N/A ALA 138.A N ARG 459.A O no hydrogen 2.942 N/A GLU 141.A N GLU 141.A OE1 no hydrogen 2.985 N/A TYR 142.A N PRO 139.A O no hydrogen 3.112 N/A ARG 145.A NE GLU 389.A OE1 no hydrogen 2.616 N/A ARG 145.A NH2 THR 276.A O no hydrogen 2.952 N/A ARG 145.A NH2 GLU 389.A OE1 no hydrogen 2.781 N/A GLN 148.A N GLU 389.A OE2 no hydrogen 3.452 N/A GLN 148.A NE2 GLU 389.A OE1 no hydrogen 3.304 N/A TYR 152.A N LYS 189.A O no hydrogen 2.901 N/A TYR 152.A OH PRO 183.A O no hydrogen 2.614 N/A LEU 153.A N ARG 279.A O no hydrogen 2.911 N/A PHE 154.A N GLY 191.A O no hydrogen 3.223 N/A VAL 155.A N SER 281.A O no hydrogen 2.705 N/A PHE 156.A N ILE 193.A O no hydrogen 2.808 N/A ASP 157.A N PHE 283.A O no hydrogen 3.074 N/A VAL 158.A N PHE 195.A O no hydrogen 2.796 N/A SER 159.A N ASP 157.A OD1 no hydrogen 3.003 N/A SER 159.A OG ASP 157.A OD1 no hydrogen 2.975 N/A HIS 160.A N GLU 257.A O no hydrogen 2.785 N/A ALA 162.A N SER 159.A OG no hydrogen 3.094 N/A VAL 163.A N SER 159.A O no hydrogen 2.765 N/A GLU 164.A N HIS 160.A O no hydrogen 2.973 N/A THR 165.A N ASN 161.A O no hydrogen 3.009 N/A THR 165.A N ALA 162.A O no hydrogen 2.943 N/A THR 165.A OG1 ALA 162.A O no hydrogen 2.520 N/A GLY 166.A N ALA 162.A O no hydrogen 3.371 N/A TYR 167.A OH ASP 157.A O no hydrogen 3.189 N/A SER 170.A OG TYR 167.A O no hydrogen 3.168 N/A VAL 171.A N TYR 167.A O no hydrogen 3.232 N/A CYS 172.A N LEU 168.A O no hydrogen 3.078 N/A CYS 172.A SG LEU 168.A O no hydrogen 3.408 N/A GLN 173.A N ASN 169.A O no hydrogen 2.930 N/A GLN 173.A NE2 ASP 177.A OD1 no hydrogen 3.166 N/A GLN 173.A NE2 ASP 177.A OD2 no hydrogen 3.015 N/A SER 174.A N SER 170.A O no hydrogen 2.702 N/A SER 174.A OG SER 170.A O no hydrogen 3.196 N/A LEU 175.A N VAL 171.A O no hydrogen 2.872 N/A LEU 176.A N CYS 172.A O no hydrogen 2.866 N/A ASP 177.A N GLN 173.A O no hydrogen 2.850 N/A ASN 178.A N SER 174.A O no hydrogen 2.909 N/A ASN 178.A N LEU 175.A O no hydrogen 3.159 N/A ASN 178.A ND2 SER 174.A O no hydrogen 2.729 N/A LEU 179.A N LEU 176.A O no hydrogen 3.406 N/A LEU 181.A N ASN 178.A O no hydrogen 2.873 N/A LEU 182.A N LEU 179.A O no hydrogen 3.414 N/A ARG 187.A N ASN 185.A OD1 no hydrogen 3.054 N/A ARG 187.A NH1 PRO 147.A O no hydrogen 3.517 N/A ARG 187.A NH2 PRO 147.A O no hydrogen 2.484 N/A THR 188.A N ASN 185.A O no hydrogen 3.241 N/A THR 188.A OG1 ASN 185.A O no hydrogen 3.059 N/A LYS 189.A N PRO 150.A O no hydrogen 2.792 N/A ILE 190.A N VAL 232.A O no hydrogen 2.737 N/A GLY 191.A N TYR 152.A O no hydrogen 2.683 N/A ILE 193.A N PHE 154.A O no hydrogen 2.969 N/A THR 194.A N HIS 200.A O no hydrogen 3.009 N/A THR 194.A OG1 HIS 200.A ND1 no hydrogen 2.951 N/A THR 194.A OG1 TYR 202.A OH no hydrogen 2.864 N/A ASP 196.A N THR 198.A O no hydrogen 3.121 N/A SER 197.A N ASP 196.A OD1 no hydrogen 2.424 N/A SER 197.A OG ASP 196.A OD1 no hydrogen 3.439 N/A SER 197.A OG GLU 257.A OE1 no hydrogen 2.446 N/A THR 198.A N ASP 196.A OD1 no hydrogen 2.852 N/A THR 198.A OG1 ASP 196.A OD1 no hydrogen 3.435 N/A THR 198.A OG1 HIS 200.A NE2 no hydrogen 2.919 N/A ILE 199.A N VAL 216.A O no hydrogen 3.157 N/A HIS 200.A N THR 194.A O no hydrogen 2.781 N/A HIS 200.A ND1 THR 194.A OG1 no hydrogen 2.951 N/A HIS 200.A NE2 ASP 196.A OD1 no hydrogen 3.190 N/A HIS 200.A NE2 THR 198.A OG1 no hydrogen 2.919 N/A PHE 201.A N LEU 214.A O no hydrogen 2.897 N/A TYR 202.A OH THR 194.A OG1 no hydrogen 2.864 N/A GLY 203.A N GLN 212.A O no hydrogen 2.763 N/A LEU 204.A N ASN 229.A O no hydrogen 3.128 N/A LEU 208.A N GLN 205.A O no hydrogen 3.367 N/A GLN 212.A N GLY 203.A O no hydrogen 3.090 N/A LEU 214.A N PHE 201.A O no hydrogen 2.778 N/A VAL 216.A N ILE 199.A O no hydrogen 2.977 N/A ILE 219.A N SER 217.A O no hydrogen 2.771 N/A ASP 221.A N ASP 218.A O no hydrogen 3.015 N/A ASN 229.A ND2 GLU 228.A OE1 no hydrogen 2.771 N/A VAL 232.A N ILE 190.A O no hydrogen 2.960 N/A ASN 233.A ND2 THR 186.A O no hydrogen 3.164 N/A LEU 234.A N THR 188.A O no hydrogen 2.979 N/A GLU 236.A N ASN 233.A OD1 no hydrogen 3.013 N/A SER 237.A N ASN 233.A O no hydrogen 2.909 N/A SER 237.A OG ASN 233.A O no hydrogen 3.465 N/A LYS 238.A N ASN 235.A O no hydrogen 3.497 N/A LYS 238.A NZ ASP 180.A OD1 no hydrogen 2.465 N/A VAL 241.A N SER 237.A O no hydrogen 3.132 N/A GLN 242.A N LYS 238.A O no hydrogen 3.049 N/A ASP 243.A N GLU 239.A O no hydrogen 3.294 N/A LEU 244.A N LEU 240.A O no hydrogen 3.488 N/A LEU 245.A N VAL 241.A O no hydrogen 2.933 N/A LYS 246.A N GLN 242.A O no hydrogen 3.163 N/A LYS 246.A N ASP 243.A O no hydrogen 2.896 N/A THR 247.A N ASP 243.A O no hydrogen 2.689 N/A THR 247.A N LEU 244.A O no hydrogen 3.210 N/A THR 247.A OG1 ASP 243.A O no hydrogen 2.596 N/A LEU 248.A N LEU 244.A O no hydrogen 2.795 N/A GLN 250.A N THR 247.A O no hydrogen 3.035 N/A MET 251.A N LEU 248.A O no hydrogen 2.951 N/A THR 253.A OG1 GLN 250.A O no hydrogen 3.254 N/A THR 255.A N PHE 252.A O no hydrogen 3.046 N/A THR 255.A OG1 PHE 252.A O no hydrogen 2.588 N/A SER 260.A OG GLN 284.A OE1 no hydrogen 3.404 N/A ALA 261.A N ASP 196.A O no hydrogen 2.625 N/A ALA 265.A N ALA 261.A O no hydrogen 3.080 N/A LEU 266.A N LEU 262.A O no hydrogen 2.860 N/A GLN 267.A N GLY 263.A O no hydrogen 3.156 N/A ALA 268.A N PRO 264.A O no hydrogen 2.938 N/A ALA 269.A N ALA 265.A O no hydrogen 2.784 N/A PHE 270.A N LEU 266.A O no hydrogen 2.889 N/A LYS 271.A N GLN 267.A O no hydrogen 2.973 N/A LEU 272.A N ALA 268.A O no hydrogen 2.971 N/A MET 273.A N PHE 270.A O no hydrogen 3.202 N/A SER 274.A N PHE 270.A O no hydrogen 2.717 N/A THR 276.A N MET 273.A O no hydrogen 2.853 N/A THR 276.A OG1 GLY 277.A O no hydrogen 2.900 N/A GLY 277.A N MET 273.A O no hydrogen 2.742 N/A GLY 278.A N GLN 327.A O no hydrogen 2.935 N/A ARG 279.A N VAL 151.A O no hydrogen 2.871 N/A ARG 279.A NH1 TYR 381.A O no hydrogen 3.375 N/A MET 280.A N ALA 329.A O no hydrogen 3.051 N/A SER 281.A N LEU 153.A O no hydrogen 3.049 N/A SER 281.A OG TYR 381.A OH no hydrogen 2.813 N/A VAL 282.A N ASP 331.A O no hydrogen 2.931 N/A PHE 283.A N VAL 155.A O no hydrogen 2.818 N/A GLN 284.A N PHE 333.A O no hydrogen 2.873 N/A THR 285.A N ASP 157.A OD2 no hydrogen 3.009 N/A THR 285.A OG1 ASP 157.A OD2 no hydrogen 2.805 N/A THR 285.A OG1 ASN 161.A OD1 no hydrogen 3.367 N/A GLN 286.A NE2 THR 258.A O no hydrogen 3.530 N/A THR 289.A N SER 260.A O no hydrogen 3.301 N/A LEU 290.A N SER 260.A O no hydrogen 3.226 N/A ALA 294.A N GLY 291.A O no hydrogen 3.148 N/A LEU 295.A N PRO 288.A O no hydrogen 2.815 N/A ASN 302.A N SER 305.A OG no hydrogen 3.173 N/A SER 305.A N ASN 302.A OD1 no hydrogen 2.719 N/A SER 305.A OG ASN 302.A O no hydrogen 2.796 N/A SER 312.A N SER 344.A OG no hydrogen 2.930 N/A SER 312.A OG ASP 341.A OD2 no hydrogen 2.987 N/A SER 312.A OG SER 344.A OG no hydrogen 3.239 N/A PHE 315.A N THR 313.A OG1 no hydrogen 3.261 N/A TYR 316.A OH GLY 293.A O no hydrogen 2.628 N/A LYS 317.A N ASP 314.A O no hydrogen 2.805 N/A LYS 318.A N ASP 314.A O no hydrogen 2.889 N/A LEU 319.A N PHE 315.A O no hydrogen 2.927 N/A ALA 320.A N TYR 316.A O no hydrogen 3.235 N/A LEU 321.A N LYS 317.A O no hydrogen 3.154 N/A ASP 322.A N LYS 318.A O no hydrogen 2.955 N/A CYS 323.A N LEU 319.A O no hydrogen 2.875 N/A CYS 323.A SG LEU 319.A O no hydrogen 3.518 N/A SER 324.A N ALA 320.A O no hydrogen 2.779 N/A GLY 325.A N LEU 321.A O no hydrogen 2.941 N/A GLN 326.A N CYS 323.A O no hydrogen 2.739 N/A GLN 326.A NE2 SER 274.A O no hydrogen 2.773 N/A GLN 327.A N SER 324.A O no hydrogen 3.134 N/A VAL 328.A N CYS 323.A O no hydrogen 2.987 N/A ALA 329.A N GLY 278.A O no hydrogen 3.084 N/A VAL 330.A N SER 352.A OG no hydrogen 3.047 N/A ASP 331.A N MET 280.A O no hydrogen 2.887 N/A LEU 332.A N SER 355.A O no hydrogen 2.985 N/A PHE 333.A N VAL 282.A O no hydrogen 2.793 N/A LEU 334.A N TYR 357.A O no hydrogen 3.045 N/A LEU 335.A N GLN 284.A O no hydrogen 2.951 N/A SER 336.A OG GLN 338.A O no hydrogen 3.550 N/A SER 340.A N ASP 559.A OD2 no hydrogen 2.771 N/A SER 340.A OG GLN 338.A O no hydrogen 2.911 N/A LEU 342.A N ASP 559.A OD1 no hydrogen 2.992 N/A SER 344.A N ASP 341.A O no hydrogen 2.940 N/A SER 344.A OG SER 312.A OG no hydrogen 3.239 N/A SER 344.A OG ASP 341.A OD1 no hydrogen 2.702 N/A LEU 345.A N ASP 341.A O no hydrogen 3.035 N/A GLY 346.A N LEU 342.A O no hydrogen 2.725 N/A CYS 347.A N SER 344.A O no hydrogen 3.018 N/A ILE 348.A N LEU 345.A O no hydrogen 3.271 N/A SER 349.A N GLY 346.A O no hydrogen 2.824 N/A SER 349.A OG VAL 330.A O no hydrogen 2.545 N/A SER 349.A OG SER 355.A O no hydrogen 3.531 N/A ARG 350.A N GLY 346.A O no hydrogen 2.934 N/A TYR 351.A N CYS 347.A O no hydrogen 3.310 N/A SER 352.A N SER 349.A O no hydrogen 3.331 N/A SER 352.A OG ILE 348.A O no hydrogen 2.842 N/A SER 352.A OG SER 349.A O no hydrogen 3.542 N/A GLY 354.A N SER 349.A O no hydrogen 2.901 N/A SER 355.A OG ASP 331.A OD1 no hydrogen 2.977 N/A TYR 357.A N LEU 332.A O no hydrogen 2.509 N/A TYR 359.A N LEU 334.A O no hydrogen 2.962 N/A TYR 359.A OH GLU 377.A OE1 no hydrogen 2.404 N/A SER 361.A N SER 336.A O no hydrogen 2.939 N/A HIS 363.A NE2 GLU 164.A OE2 no hydrogen 2.818 N/A HIS 364.A N THR 165.A O no hydrogen 2.864 N/A GLN 365.A N HIS 363.A ND1 no hydrogen 3.097 N/A GLN 365.A NE2 HIS 364.A NE2 no hydrogen 3.614 N/A HIS 366.A N HIS 363.A ND1 no hydrogen 2.958 N/A ASN 367.A N HIS 363.A O no hydrogen 3.330 N/A ASN 367.A ND2 SER 361.A O no hydrogen 2.996 N/A GLN 370.A N ASN 367.A OD1 no hydrogen 2.852 N/A VAL 371.A N ASN 367.A O no hydrogen 3.236 N/A GLN 372.A N PRO 368.A O no hydrogen 3.116 N/A LYS 373.A N VAL 369.A O no hydrogen 2.986 N/A LYS 373.A NZ TYR 358.A O no hydrogen 3.284 N/A LEU 374.A N GLN 370.A O no hydrogen 2.819 N/A GLN 375.A N VAL 371.A O no hydrogen 2.993 N/A GLN 375.A NE2 SER 174.A OG no hydrogen 3.026 N/A LYS 376.A N GLN 372.A O no hydrogen 3.047 N/A GLU 377.A N LYS 373.A O no hydrogen 2.874 N/A LEU 378.A N LEU 374.A O no hydrogen 2.767 N/A GLN 379.A N GLN 375.A O no hydrogen 2.976 N/A GLN 379.A NE2 ASN 178.A OD1 no hydrogen 3.265 N/A ARG 380.A N LYS 376.A O no hydrogen 3.228 N/A ARG 380.A NE ASP 425.A OD1 no hydrogen 3.371 N/A ARG 380.A NE ASP 425.A OD2 no hydrogen 2.745 N/A ARG 380.A NH1 ASP 71.A OD2 no hydrogen 3.457 N/A ARG 380.A NH2 ASP 71.A OD2 no hydrogen 3.400 N/A ARG 380.A NH2 ASP 425.A OD1 no hydrogen 2.702 N/A TYR 381.A N GLU 377.A O no hydrogen 3.002 N/A TYR 381.A OH SER 281.A OG no hydrogen 2.813 N/A TYR 381.A OH ASP 331.A OD2 no hydrogen 2.458 N/A LEU 382.A N LEU 378.A O no hydrogen 2.838 N/A THR 383.A N GLN 379.A O no hydrogen 3.058 N/A THR 383.A N ARG 380.A O no hydrogen 3.087 N/A THR 383.A OG1 GLN 379.A O no hydrogen 2.945 N/A ARG 384.A N ARG 380.A O no hydrogen 2.891 N/A ARG 384.A NH1 ASP 425.A OD2 no hydrogen 2.968 N/A LYS 385.A NZ PHE 69.A O no hydrogen 3.162 N/A LYS 385.A NZ ASP 71.A OD1 no hydrogen 2.544 N/A GLY 387.A N VAL 422.A O no hydrogen 3.241 N/A PHE 388.A N THR 453.A O no hydrogen 2.633 N/A GLU 389.A N PRO 420.A O no hydrogen 3.301 N/A ALA 390.A N LEU 419.A O no hydrogen 3.114 N/A VAL 391.A N LEU 451.A O no hydrogen 2.894 N/A MET 392.A N LEU 417.A O no hydrogen 2.886 N/A ARG 393.A N ALA 449.A O no hydrogen 3.245 N/A ARG 393.A NH1 ASP 415.A O no hydrogen 2.744 N/A ARG 395.A N GLN 447.A O no hydrogen 2.788 N/A ARG 395.A NE CYS 89.A O no hydrogen 2.988 N/A CYS 396.A SG CYS 396.A O no hydrogen 2.881 N/A CYS 396.A SG LEU 400.A O no hydrogen 3.306 N/A THR 397.A OG1 ASN 108.A O no hydrogen 3.066 N/A THR 397.A OG1 SER 445.A O no hydrogen 3.308 N/A LYS 398.A N LEU 109.A O no hydrogen 2.668 N/A LYS 398.A NZ GLU 436.A OE1 no hydrogen 3.138 N/A LEU 400.A N THR 397.A O no hydrogen 2.974 N/A SER 401.A N SER 433.A O no hydrogen 3.113 N/A SER 401.A OG GLU 435.A OE1 no hydrogen 3.555 N/A HIS 403.A N GLN 431.A O no hydrogen 2.742 N/A THR 404.A N GLN 431.A O no hydrogen 3.470 N/A HIS 406.A N ALA 429.A O no hydrogen 2.712 N/A ASN 408.A ND2 GLY 354.A O no hydrogen 3.128 N/A PHE 410.A N SER 418.A O no hydrogen 3.162 N/A ARG 412.A N LEU 416.A O no hydrogen 3.192 N/A LEU 417.A N MET 392.A O no hydrogen 2.598 N/A SER 418.A N PHE 410.A O no hydrogen 2.753 N/A LEU 419.A N ALA 390.A O no hydrogen 2.884 N/A VAL 422.A N GLY 387.A O no hydrogen 3.153 N/A ALA 426.A N ASN 423.A O no hydrogen 3.410 N/A GLY 427.A N ASN 570.A O no hydrogen 2.555 N/A TYR 428.A N LEU 66.A O no hydrogen 2.880 N/A ALA 429.A N HIS 406.A O no hydrogen 2.944 N/A VAL 430.A N LEU 64.A O no hydrogen 2.707 N/A GLN 431.A N THR 404.A O no hydrogen 2.959 N/A MET 432.A N LEU 62.A O no hydrogen 2.828 N/A SER 433.A N SER 401.A O no hydrogen 3.048 N/A VAL 434.A N GLN 52.A OE1 no hydrogen 2.769 N/A GLU 435.A N GLY 399.A O no hydrogen 2.770 N/A GLU 436.A N GLY 399.A O no hydrogen 3.218 N/A LEU 438.A N GLN 50.A O no hydrogen 2.683 N/A THR 441.A OG1 TYR 111.A OH no hydrogen 2.840 N/A VAL 444.A N LEU 468.A O no hydrogen 2.952 N/A SER 445.A N THR 397.A OG1 no hydrogen 2.753 N/A PHE 446.A N LEU 466.A O no hydrogen 2.619 N/A GLN 447.A N ARG 395.A O no hydrogen 2.993 N/A GLN 447.A NE2 TYR 92.A O no hydrogen 2.901 N/A SER 448.A N HIS 464.A O no hydrogen 3.076 N/A ALA 449.A N ARG 393.A O no hydrogen 2.980 N/A LEU 450.A N ARG 462.A O no hydrogen 2.695 N/A LEU 451.A N VAL 391.A O no hydrogen 2.841 N/A TYR 452.A N ARG 460.A O no hydrogen 2.913 N/A TYR 452.A OH GLU 135.A OE2 no hydrogen 2.685 N/A THR 453.A N PHE 388.A O no hydrogen 2.890 N/A THR 453.A OG1 PHE 388.A O no hydrogen 3.456 N/A THR 453.A OG1 GLU 389.A OE2 no hydrogen 2.719 N/A SER 454.A N GLU 458.A O no hydrogen 3.082 N/A SER 454.A OG GLU 458.A O no hydrogen 3.427 N/A LYS 456.A N SER 454.A OG no hydrogen 3.176 N/A LYS 456.A NZ SER 455.A OG no hydrogen 2.990 N/A GLY 457.A N SER 454.A O no hydrogen 3.006 N/A GLU 458.A N SER 454.A OG no hydrogen 2.992 N/A ARG 459.A NE TYR 142.A O no hydrogen 3.096 N/A ARG 459.A NH1 GLU 389.A O no hydrogen 2.897 N/A ARG 459.A NH1 THR 453.A OG1 no hydrogen 2.703 N/A ARG 459.A NH2 TYR 142.A O no hydrogen 3.549 N/A ARG 460.A N TYR 452.A O no hydrogen 2.864 N/A ARG 460.A NH1 GLU 135.A OE1 no hydrogen 3.387 N/A ILE 461.A N PHE 136.A O no hydrogen 2.984 N/A ARG 462.A N LEU 450.A O no hydrogen 2.810 N/A ARG 462.A NE GLU 135.A OE2 no hydrogen 2.746 N/A ARG 462.A NH2 GLU 135.A OE2 no hydrogen 2.987 N/A VAL 463.A N ILE 134.A O no hydrogen 2.929 N/A HIS 464.A N SER 448.A O no hydrogen 3.136 N/A HIS 464.A ND1 THR 133.A OG1 no hydrogen 2.566 N/A HIS 464.A NE2 PRO 68.A O no hydrogen 2.971 N/A LEU 466.A N PHE 446.A O no hydrogen 2.593 N/A CYS 467.A N ASN 35.A OD1 no hydrogen 3.223 N/A LEU 468.A N VAL 444.A O no hydrogen 2.859 N/A VAL 470.A N GLN 442.A O no hydrogen 3.008 N/A VAL 471.A N ILE 48.A O no hydrogen 3.046 N/A VAL 477.A N THR 473.A O no hydrogen 2.960 N/A PHE 478.A N LEU 474.A O no hydrogen 2.983 N/A LEU 479.A N ASN 475.A O no hydrogen 2.795 N/A GLY 480.A N ASP 476.A O no hydrogen 3.238 N/A ALA 481.A N PHE 478.A O no hydrogen 3.009 N/A ASP 482.A N THR 44.A O no hydrogen 2.907 N/A ALA 485.A N ASP 482.A OD1 no hydrogen 2.980 N/A ILE 486.A N ASP 482.A O no hydrogen 3.006 N/A SER 487.A N VAL 483.A O no hydrogen 2.975 N/A SER 487.A OG VAL 483.A O no hydrogen 2.730 N/A GLY 488.A N GLN 484.A O no hydrogen 2.865 N/A LEU 489.A N ALA 485.A O no hydrogen 2.854 N/A LEU 490.A N ILE 486.A O no hydrogen 2.775 N/A ALA 491.A N SER 487.A O no hydrogen 2.906 N/A ASN 492.A N GLY 488.A O no hydrogen 3.200 N/A ASN 492.A ND2 GLY 488.A O no hydrogen 3.204 N/A ASN 492.A ND2 VAL 568.A O no hydrogen 3.384 N/A MET 493.A N LEU 489.A O no hydrogen 3.095 N/A ALA 494.A N LEU 490.A O no hydrogen 2.614 N/A VAL 495.A N ALA 491.A O no hydrogen 2.890 N/A ASP 496.A N ASN 492.A O no hydrogen 3.191 N/A ARG 497.A N MET 493.A O no hydrogen 2.903 N/A ARG 497.A NH1 ASP 505.A O no hydrogen 3.412 N/A SER 498.A N ALA 494.A O no hydrogen 3.049 N/A SER 498.A OG ALA 494.A O no hydrogen 2.789 N/A MET 499.A N VAL 495.A O no hydrogen 3.211 N/A THR 500.A N ASP 496.A O no hydrogen 2.908 N/A ALA 501.A N ARG 497.A O no hydrogen 2.607 N/A SER 502.A OG ASP 505.A OD2 no hydrogen 3.017 N/A SER 504.A OG ALA 307.A O no hydrogen 3.338 N/A ASP 505.A N SER 502.A OG no hydrogen 3.336 N/A ALA 506.A N SER 502.A O no hydrogen 2.923 N/A ARG 507.A N LEU 503.A O no hydrogen 2.790 N/A ARG 507.A NH1 LEU 545.A O no hydrogen 3.233 N/A ARG 507.A NH1 PHE 550.A O no hydrogen 2.697 N/A ASP 508.A N SER 504.A O no hydrogen 2.881 N/A ALA 509.A N ASP 505.A O no hydrogen 2.946 N/A LEU 510.A N ALA 506.A O no hydrogen 3.169 N/A VAL 511.A N ARG 507.A O no hydrogen 3.044 N/A ASN 512.A N ASP 508.A O no hydrogen 2.561 N/A ALA 513.A N ALA 509.A O no hydrogen 2.948 N/A ALA 513.A N LEU 510.A O no hydrogen 2.910 N/A ILE 515.A N VAL 511.A O no hydrogen 3.279 N/A ASP 516.A N ASN 512.A O no hydrogen 2.795 N/A SER 517.A N ALA 513.A O no hydrogen 3.302 N/A SER 517.A OG ALA 513.A O no hydrogen 2.626 N/A SER 517.A OG VAL 514.A O no hydrogen 2.812 N/A LEU 518.A N VAL 514.A O no hydrogen 3.028 N/A SER 519.A N ILE 515.A O no hydrogen 2.739 N/A SER 519.A OG VAL 729.A O no hydrogen 3.156 N/A ALA 520.A N ASP 516.A O no hydrogen 3.103 N/A TYR 521.A N SER 517.A O no hydrogen 2.854 N/A ARG 522.A N LEU 518.A O no hydrogen 2.986 N/A SER 523.A N SER 519.A O no hydrogen 2.978 N/A SER 523.A OG SER 519.A O no hydrogen 3.347 N/A SER 524.A N TYR 521.A O no hydrogen 2.880 N/A VAL 525.A N ARG 522.A O no hydrogen 3.035 N/A VAL 530.A N VAL 6.A O no hydrogen 2.996 N/A PHE 532.A N ARG 4.A O no hydrogen 3.067 N/A SER 533.A OG PHE 478.A O no hydrogen 2.723 N/A LEU 534.A N PRO 531.A O no hydrogen 2.889 N/A ARG 535.A N PHE 532.A O no hydrogen 3.374 N/A PHE 537.A N LEU 534.A O no hydrogen 2.898 N/A PHE 540.A N LEU 536.A O no hydrogen 3.161 N/A VAL 541.A N PHE 537.A O no hydrogen 3.215 N/A LEU 542.A N PRO 538.A O no hydrogen 2.862 N/A ALA 543.A N LEU 539.A O no hydrogen 2.958 N/A LEU 544.A N PHE 540.A O no hydrogen 2.790 N/A LEU 545.A N VAL 541.A O no hydrogen 2.707 N/A LYS 546.A N LEU 542.A O no hydrogen 2.911 N/A LYS 546.A N ALA 543.A O no hydrogen 3.178 N/A LYS 546.A NZ ILE 708.A O no hydrogen 2.561 N/A LYS 546.A NZ ASP 710.A O no hydrogen 2.600 N/A LYS 546.A NZ LEU 716.A O no hydrogen 3.238 N/A GLN 547.A N ALA 543.A O no hydrogen 2.945 N/A GLN 547.A N LEU 544.A O no hydrogen 3.155 N/A LYS 548.A NZ GLN 705.A OE1 no hydrogen 3.366 N/A PHE 550.A N GLN 547.A O no hydrogen 3.302 N/A GLN 551.A N GLN 547.A O no hydrogen 2.730 N/A ARG 557.A N GLU 560.A OE1 no hydrogen 2.744 N/A LEU 558.A N GLU 300.A OE1 no hydrogen 3.333 N/A ARG 561.A N ARG 557.A O no hydrogen 3.339 N/A ARG 561.A NH1 GLN 551.A O no hydrogen 2.578 N/A ARG 561.A NH2 GLN 551.A O no hydrogen 3.407 N/A ILE 562.A N LEU 558.A O no hydrogen 3.216 N/A PHE 563.A N ASP 559.A O no hydrogen 2.869 N/A ALA 564.A N GLU 560.A O no hydrogen 2.852 N/A MET 565.A N ARG 561.A O no hydrogen 2.907 N/A CYS 566.A N ILE 562.A O no hydrogen 2.780 N/A CYS 566.A SG ILE 562.A O no hydrogen 3.540 N/A GLN 567.A N PHE 563.A O no hydrogen 3.027 N/A VAL 568.A N ALA 564.A O no hydrogen 3.208 N/A LYS 569.A N MET 565.A O no hydrogen 3.037 N/A LYS 569.A NZ HIS 406.A ND1 no hydrogen 2.860 N/A LYS 569.A NZ ASP 496.A OD1 no hydrogen 2.992 N/A LYS 569.A NZ ASP 496.A OD2 no hydrogen 3.429 N/A ASN 570.A N GLN 567.A O no hydrogen 3.255 N/A GLN 571.A N GLN 567.A O no hydrogen 2.804 N/A TYR 575.A N PRO 572.A O no hydrogen 2.932 N/A LEU 576.A N PRO 572.A O no hydrogen 3.485 N/A MET 577.A N LEU 573.A O no hydrogen 3.022 N/A LEU 578.A N VAL 574.A O no hydrogen 2.912 N/A THR 579.A N TYR 575.A O no hydrogen 2.881 N/A THR 579.A OG1 TYR 575.A O no hydrogen 2.967 N/A THR 580.A N LEU 576.A O no hydrogen 2.818 N/A THR 580.A OG1 LEU 576.A O no hydrogen 2.966 N/A HIS 581.A N MET 577.A O no hydrogen 2.754 N/A SER 583.A N ASP 625.A O no hydrogen 2.894 N/A TYR 585.A N LEU 623.A O no hydrogen 2.841 N/A ARG 586.A NE ASP 588.A OD1 no hydrogen 3.097 N/A VAL 587.A N ALA 621.A O no hydrogen 2.979 N/A SER 591.A OG GLU 593.A OE1 no hydrogen 2.785 N/A SER 591.A OG GLU 593.A OE2 no hydrogen 3.424 N/A ALA 595.A N ILE 603.A O no hydrogen 2.887 N/A ASN 597.A N ALA 595.A O no hydrogen 2.600 N/A SER 599.A N ASN 597.A O no hydrogen 2.332 N/A ARG 601.A N ILE 598.A O no hydrogen 2.937 N/A ILE 608.A N SER 17.A O no hydrogen 2.917 N/A LEU 609.A N LEU 584.A O no hydrogen 2.835 N/A SER 612.A N GLN 610.A O no hydrogen 2.859 N/A SER 612.A OG GLU 614.A OE1 no hydrogen 3.459 N/A SER 612.A OG ASP 710.A OD1 no hydrogen 2.505 N/A VAL 613.A N ASP 710.A OD1 no hydrogen 3.322 N/A VAL 613.A N ASP 710.A OD2 no hydrogen 3.108 N/A GLU 614.A N SER 612.A OG no hydrogen 3.211 N/A LYS 615.A N SER 612.A O no hydrogen 2.797 N/A LYS 615.A NZ ASN 13.A OD1 no hydrogen 3.345 N/A LEU 616.A N VAL 613.A O no hydrogen 3.108 N/A SER 617.A OG ASP 619.A OD2 no hydrogen 3.539 N/A ASP 619.A N SER 617.A OG no hydrogen 3.077 N/A GLY 620.A N SER 617.A O no hydrogen 3.295 N/A ALA 621.A N ASP 588.A OD1 no hydrogen 2.981 N/A PHE 622.A N TRP 633.A O no hydrogen 2.674 N/A LEU 623.A N TYR 585.A O no hydrogen 2.824 N/A MET 624.A N MET 631.A O no hydrogen 2.942 N/A ASP 625.A N SER 583.A O no hydrogen 2.593 N/A ALA 626.A N VAL 629.A O no hydrogen 3.044 N/A GLY 627.A N ASP 625.A OD1 no hydrogen 2.737 N/A LEU 630.A N ILE 689.A O no hydrogen 3.094 N/A LEU 632.A N TYR 691.A O no hydrogen 3.101 N/A TRP 633.A N PHE 622.A O no hydrogen 2.660 N/A TRP 633.A NE1 GLU 696.A OE1 no hydrogen 2.873 N/A VAL 634.A N ARG 694.A O no hydrogen 3.195 N/A CYS 638.A N GLY 635.A O no hydrogen 3.375 N/A CYS 638.A SG THR 639.A O no hydrogen 3.944 N/A LEU 643.A N THR 639.A O no hydrogen 3.405 N/A SER 644.A N GLN 640.A O no hydrogen 3.113 N/A GLN 645.A N ASN 641.A O no hydrogen 3.046 N/A VAL 646.A N PHE 642.A O no hydrogen 3.076 N/A LEU 647.A N PHE 642.A O no hydrogen 3.012 N/A VAL 649.A N LEU 643.A O no hydrogen 2.883 N/A SER 654.A N ASN 651.A O no hydrogen 2.941 N/A SER 654.A N ASN 651.A OD1 no hydrogen 3.061 N/A SER 654.A OG ASN 651.A O no hydrogen 3.047 N/A SER 654.A OG ASN 651.A OD1 no hydrogen 2.790 N/A ILE 655.A N TYR 652.A O no hydrogen 3.123 N/A LEU 662.A N ASP 661.A OD1 no hydrogen 2.662 N/A THR 667.A N LEU 665.A O no hydrogen 2.847 N/A THR 667.A OG1 GLN 645.A O no hydrogen 2.717 N/A GLU 669.A N GLU 669.A OE1 no hydrogen 2.659 N/A SER 670.A N THR 667.A OG1 no hydrogen 2.899 N/A ALA 671.A N THR 667.A O no hydrogen 3.009 N/A ARG 672.A N PRO 668.A O no hydrogen 2.981 N/A ILE 673.A N GLU 669.A O no hydrogen 2.995 N/A ILE 674.A N SER 670.A O no hydrogen 2.799 N/A ALA 675.A N ALA 671.A O no hydrogen 2.998 N/A PHE 676.A N ARG 672.A O no hydrogen 3.037 N/A ILE 677.A N ILE 673.A O no hydrogen 3.028 N/A SER 678.A N ILE 674.A O no hydrogen 3.026 N/A SER 678.A OG ILE 674.A O no hydrogen 3.377 N/A SER 678.A OG ALA 675.A O no hydrogen 3.180 N/A TRP 679.A N ALA 675.A O no hydrogen 3.147 N/A LEU 680.A N PHE 676.A O no hydrogen 3.073 N/A ARG 681.A N ILE 677.A O no hydrogen 3.097 N/A ARG 681.A NH2 PRO 688.A O no hydrogen 2.642 N/A GLN 683.A N LEU 680.A O no hydrogen 3.025 N/A GLN 683.A NE2 TRP 679.A O no hydrogen 2.891 N/A ARG 684.A NE LEU 680.A O no hydrogen 3.265 N/A ARG 684.A NH1 ASP 625.A OD1 no hydrogen 2.892 N/A ARG 684.A NH1 GLY 627.A O no hydrogen 2.768 N/A ARG 684.A NH2 ASP 625.A OD1 no hydrogen 3.425 N/A ARG 684.A NH2 ASP 625.A OD2 no hydrogen 2.483 N/A VAL 692.A N MET 659.A O no hydrogen 3.348 N/A GLU 696.A N TYR 652.A OH no hydrogen 2.471 N/A ASN 702.A ND2 TYR 691.A OH no hydrogen 3.502 N/A LEU 704.A N ALA 701.A O no hydrogen 2.830 N/A ASN 706.A N PHE 703.A O no hydrogen 3.177 N/A MET 707.A N LEU 704.A O no hydrogen 2.683 N/A GLU 709.A N LEU 611.A O no hydrogen 3.047 N/A ASP 710.A N MET 707.A O no hydrogen 3.413 N/A THR 712.A N ALA 715.A O no hydrogen 2.956 N/A ALA 715.A N THR 712.A O no hydrogen 3.199 N/A SER 717.A N GLU 720.A OE1 no hydrogen 2.723 N/A TYR 718.A N GLU 709.A O no hydrogen 2.674 N/A GLU 720.A N SER 717.A OG no hydrogen 3.144 N/A PHE 721.A N SER 717.A O no hydrogen 2.922 N/A LEU 722.A N TYR 718.A O no hydrogen 3.048 N/A LEU 723.A N TYR 719.A O no hydrogen 2.891 N/A HIS 724.A N GLU 720.A O no hydrogen 2.701 N/A ILE 725.A N PHE 721.A O no hydrogen 2.991 N/A GLN 726.A N LEU 722.A O no hydrogen 2.986 N/A GLN 727.A N LEU 723.A O no hydrogen 3.253 N/A GLN 728.A N HIS 724.A O no hydrogen 3.316 N/A GLN 728.A N ILE 725.A O no hydrogen 2.769 N/A VAL 729.A N ILE 725.A O no hydrogen 2.693 N/A ASN 730.A N GLN 726.A O no hydrogen 3.439 N/A LYS 731.A N GLN 728.A O no hydrogen 3.208 N/A