Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7mq9_LT.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 SER 4.A O no hydrogen 3.185 N/A SER 4.A OG PHE 7.A O no hydrogen 2.258 N/A ALA 5.A N ASP 595.A OD1 no hydrogen 2.694 N/A ALA 8.A N SER 629.A O no hydrogen 3.122 N/A PHE 10.A N LEU 627.A O no hydrogen 3.052 N/A ARG 11.A NH2 THR 346.A O no hydrogen 3.129 N/A LEU 13.A N ILE 625.A O no hydrogen 2.509 N/A PHE 16.A N ASN 292.A OD1 no hydrogen 2.600 N/A SER 17.A N ASN 292.A OD1 no hydrogen 2.920 N/A SER 17.A OG ASN 18.A O no hydrogen 3.505 N/A SER 17.A OG GLY 289.A O no hydrogen 2.448 N/A SER 17.A OG ALA 293.A O no hydrogen 3.241 N/A VAL 23.A N THR 36.A O no hydrogen 3.438 N/A ARG 25.A N TYR 34.A O no hydrogen 2.680 N/A ARG 25.A NH1 THR 36.A OG1 no hydrogen 2.777 N/A ARG 25.A NH2 THR 36.A OG1 no hydrogen 3.420 N/A SER 27.A OG LYS 30.A O no hydrogen 2.474 N/A SER 27.A OG ARG 32.A O no hydrogen 3.257 N/A ARG 31.A NH2 SER 27.A O no hydrogen 3.194 N/A ARG 32.A N LYS 30.A O no hydrogen 2.718 N/A ARG 32.A NH2 TYR 34.A OH no hydrogen 2.770 N/A TYR 34.A N ARG 25.A O no hydrogen 2.820 N/A VAL 35.A N TYR 46.A O no hydrogen 3.027 N/A THR 36.A N VAL 23.A O no hydrogen 3.095 N/A THR 37.A N HIS 44.A O no hydrogen 3.052 N/A THR 37.A OG1 PHE 16.A O no hydrogen 3.432 N/A CYS 38.A SG GLY 40.A O no hydrogen 3.807 N/A CYS 38.A SG SER 42.A O no hydrogen 3.838 N/A VAL 39.A N SER 42.A O no hydrogen 2.880 N/A LYS 41.A NZ ASP 63.A OD1 no hydrogen 3.098 N/A SER 42.A N VAL 39.A O no hydrogen 2.938 N/A PHE 43.A N SER 57.A OG no hydrogen 2.537 N/A HIS 44.A N THR 37.A O no hydrogen 2.980 N/A THR 45.A N ALA 55.A O no hydrogen 3.231 N/A TYR 46.A N VAL 35.A O no hydrogen 3.116 N/A ASP 47.A N SER 52.A O no hydrogen 3.253 N/A VAL 48.A N PHE 33.A O no hydrogen 3.356 N/A LEU 51.A N ASP 47.A O no hydrogen 2.812 N/A SER 52.A N ASP 47.A OD1 no hydrogen 2.697 N/A SER 52.A OG ASP 47.A OD1 no hydrogen 2.679 N/A SER 52.A OG ASP 47.A OD2 no hydrogen 2.975 N/A VAL 54.A N THR 45.A O no hydrogen 2.973 N/A SER 57.A N PHE 43.A O no hydrogen 3.064 N/A SER 57.A OG PHE 43.A O no hydrogen 3.078 N/A ASN 58.A N LYS 89.A O no hydrogen 2.875 N/A SER 59.A OG GLY 655.A O no hydrogen 3.222 N/A VAL 60.A N LYS 41.A O no hydrogen 3.248 N/A ILE 64.A N GLY 40.A O no hydrogen 3.487 N/A CYS 65.A N ALA 77.A O no hydrogen 2.707 N/A CYS 65.A SG ALA 77.A O no hydrogen 3.174 N/A CYS 65.A SG ILE 102.A O no hydrogen 3.194 N/A CYS 66.A SG CYS 65.A O no hydrogen 3.235 N/A CYS 66.A SG ILE 102.A O no hydrogen 3.557 N/A ALA 68.A N PHE 75.A O no hydrogen 2.795 N/A ASP 70.A N LEU 73.A O no hydrogen 3.208 N/A ARG 72.A N ASP 70.A O no hydrogen 2.915 N/A LEU 73.A N ASP 70.A OD1 no hydrogen 2.926 N/A VAL 74.A N PHE 85.A O no hydrogen 3.073 N/A PHE 75.A N ALA 68.A O no hydrogen 2.612 N/A ALA 76.A N SER 83.A O no hydrogen 3.027 N/A ALA 77.A N CYS 66.A O no hydrogen 2.853 N/A TYR 78.A N VAL 81.A O no hydrogen 3.110 N/A VAL 81.A N TYR 78.A O no hydrogen 3.335 N/A PHE 82.A N PHE 95.A O no hydrogen 3.400 N/A SER 83.A N ALA 76.A O no hydrogen 2.912 N/A SER 83.A OG THR 94.A OG1 no hydrogen 3.383 N/A ALA 84.A N HIS 93.A O no hydrogen 2.709 N/A PHE 85.A N VAL 74.A O no hydrogen 2.627 N/A ALA 86.A N GLU 90.A O no hydrogen 2.962 N/A LYS 89.A N ALA 86.A O no hydrogen 3.300 N/A GLU 90.A N ALA 86.A O no hydrogen 3.258 N/A VAL 92.A N ALA 84.A O no hydrogen 3.188 N/A THR 94.A OG1 SER 83.A OG no hydrogen 3.383 N/A PHE 95.A N PHE 82.A O no hydrogen 2.896 N/A GLU 101.A N GLU 101.A OE1 no hydrogen 2.732 N/A HIS 103.A N VAL 115.A O no hydrogen 3.058 N/A GLN 106.A N ILE 113.A O no hydrogen 3.042 N/A GLN 106.A NE2 PRO 107.A O no hydrogen 3.131 N/A PHE 108.A N HIS 111.A O no hydrogen 2.565 N/A HIS 111.A N PHE 108.A O no hydrogen 2.794 N/A ILE 112.A N TRP 124.A O no hydrogen 2.791 N/A ILE 113.A N GLN 106.A O no hydrogen 2.954 N/A SER 114.A N ILE 122.A O no hydrogen 3.020 N/A VAL 115.A N PHE 104.A O no hydrogen 3.261 N/A ASP 116.A N ILE 120.A O no hydrogen 2.796 N/A THR 117.A N GLU 101.A O no hydrogen 3.030 N/A THR 117.A OG1 GLU 101.A O no hydrogen 2.844 N/A ILE 120.A N ASP 118.A OD1 no hydrogen 3.267 N/A LEU 121.A N LEU 135.A O no hydrogen 2.681 N/A ILE 122.A N SER 114.A O no hydrogen 3.067 N/A ILE 123.A N LEU 133.A O no hydrogen 2.940 N/A TRP 124.A N ILE 112.A O no hydrogen 2.780 N/A HIS 125.A N GLU 130.A O no hydrogen 3.324 N/A HIS 125.A ND1 SER 128.A OG no hydrogen 2.597 N/A ILE 126.A N ASP 110.A O no hydrogen 3.259 N/A SER 128.A N HIS 125.A ND1 no hydrogen 3.157 N/A SER 128.A OG HIS 125.A ND1 no hydrogen 2.597 N/A GLU 129.A N HIS 125.A O no hydrogen 3.104 N/A TYR 132.A N ILE 123.A O no hydrogen 3.005 N/A LEU 135.A N LEU 121.A O no hydrogen 2.645 N/A PHE 137.A N GLY 119.A O no hydrogen 3.071 N/A SER 140.A OG ASP 138.A OD2 no hydrogen 2.490 N/A VAL 141.A N ASP 138.A OD2 no hydrogen 2.671 N/A PHE 142.A N ASP 138.A O no hydrogen 2.722 N/A LYS 143.A N GLN 163.A OE1 no hydrogen 3.301 N/A LYS 143.A NZ GLU 162.A OE1 no hydrogen 3.266 N/A SER 145.A N GLY 160.A O no hydrogen 3.162 N/A SER 145.A OG VAL 187.A O no hydrogen 2.752 N/A LEU 148.A N LEU 158.A O no hydrogen 3.042 N/A HIS 149.A ND1 LYS 156.A O no hydrogen 2.575 N/A SER 151.A N GLN 192.A OE1 no hydrogen 2.950 N/A THR 152.A OG1 SER 151.A O no hydrogen 2.412 N/A TYR 153.A OH ASP 197.A OD1 no hydrogen 2.657 N/A LYS 156.A NZ LEU 154.A O no hydrogen 3.070 N/A ILE 157.A N TRP 169.A O no hydrogen 3.162 N/A LEU 158.A N LEU 148.A O no hydrogen 2.628 N/A LEU 159.A N GLN 167.A O no hydrogen 2.786 N/A GLY 160.A N ALA 146.A O no hydrogen 3.058 N/A SER 161.A OG SER 165.A O no hydrogen 3.011 N/A GLU 162.A N LYS 143.A O no hydrogen 3.166 N/A GLN 163.A N GLN 163.A OE1 no hydrogen 2.706 N/A GLN 163.A NE2 LYS 139.A O no hydrogen 3.623 N/A GLN 163.A NE2 SER 140.A O no hydrogen 2.742 N/A GLY 164.A N SER 161.A OG no hydrogen 2.977 N/A SER 165.A N SER 161.A OG no hydrogen 2.967 N/A SER 165.A OG PHE 180.A O no hydrogen 3.488 N/A LEU 166.A N PHE 180.A O no hydrogen 3.036 N/A GLN 167.A N LEU 159.A O no hydrogen 2.803 N/A LEU 168.A N TYR 178.A O no hydrogen 3.047 N/A TRP 169.A N ILE 157.A O no hydrogen 2.947 N/A TRP 169.A NE1 GLN 167.A OE1 no hydrogen 2.977 N/A ASN 170.A N LYS 175.A O no hydrogen 3.318 N/A VAL 171.A N ASN 155.A O no hydrogen 2.971 N/A SER 173.A N ASN 170.A OD1 no hydrogen 2.998 N/A ASN 174.A N ASN 170.A O no hydrogen 2.890 N/A LEU 177.A N LEU 168.A O no hydrogen 3.130 N/A PHE 180.A N LEU 166.A O no hydrogen 2.606 N/A VAL 187.A N SER 161.A O no hydrogen 2.972 N/A THR 188.A N GLY 202.A O no hydrogen 2.971 N/A GLN 191.A N ALA 200.A O no hydrogen 2.957 N/A GLN 192.A NE2 ALA 193.A O no hydrogen 2.932 N/A ALA 193.A N VAL 198.A O no hydrogen 3.123 N/A ALA 195.A N ALA 193.A O no hydrogen 2.649 N/A VAL 199.A N HIS 211.A O no hydrogen 2.774 N/A ALA 200.A N GLN 191.A O no hydrogen 2.837 N/A ILE 201.A N ILE 209.A O no hydrogen 2.707 N/A GLY 202.A N ALA 189.A O no hydrogen 2.756 N/A GLY 206.A N LEU 203.A O no hydrogen 3.326 N/A VAL 208.A N PHE 222.A O no hydrogen 2.674 N/A ILE 209.A N ILE 201.A O no hydrogen 2.713 N/A ILE 210.A N MET 220.A O no hydrogen 3.236 N/A HIS 211.A N VAL 199.A O no hydrogen 2.746 N/A HIS 211.A ND1 THR 218.A OG1 no hydrogen 2.854 N/A HIS 211.A NE2 ASN 216.A OD1 no hydrogen 2.503 N/A ASN 212.A N GLU 217.A O no hydrogen 3.024 N/A ILE 213.A N ASP 197.A O no hydrogen 3.242 N/A LYS 214.A N ASN 212.A OD1 no hydrogen 2.982 N/A PHE 215.A N ASN 212.A OD1 no hydrogen 3.234 N/A ASN 216.A N ASN 212.A O no hydrogen 3.028 N/A THR 218.A OG1 HIS 211.A ND1 no hydrogen 2.854 N/A LEU 219.A N ILE 210.A O no hydrogen 2.994 N/A PHE 222.A N VAL 208.A O no hydrogen 2.985 N/A ARG 223.A NE GLN 224.A O no hydrogen 3.466 N/A GLN 224.A N GLY 206.A O no hydrogen 2.603 N/A GLN 224.A NE2 ALA 244.A O no hydrogen 3.598 N/A ILE 229.A N LEU 203.A O no hydrogen 3.350 N/A THR 230.A N GLY 245.A O no hydrogen 3.232 N/A SER 233.A N ALA 243.A O no hydrogen 3.049 N/A ARG 235.A N VAL 241.A O no hydrogen 2.995 N/A ARG 235.A NE ASP 237.A OD1 no hydrogen 2.669 N/A ARG 235.A NE ASP 237.A OD2 no hydrogen 3.207 N/A ARG 235.A NH2 ASP 237.A OD2 no hydrogen 3.038 N/A MET 242.A N TRP 254.A O no hydrogen 2.910 N/A ALA 243.A N SER 233.A O no hydrogen 3.186 N/A ALA 244.A N GLY 252.A O no hydrogen 3.343 N/A GLY 245.A N SER 231.A O no hydrogen 2.753 N/A SER 246.A OG HIS 250.A O no hydrogen 2.821 N/A CYS 248.A SG TRP 226.A O no hydrogen 3.962 N/A GLY 249.A N SER 246.A O no hydrogen 3.010 N/A HIS 250.A N SER 246.A OG no hydrogen 3.073 N/A ILE 251.A N MET 265.A O no hydrogen 2.740 N/A GLY 252.A N ALA 244.A O no hydrogen 3.518 N/A LEU 253.A N ASN 263.A O no hydrogen 2.782 N/A TRP 254.A N MET 242.A O no hydrogen 2.713 N/A TRP 254.A NE1 GLN 224.A OE1 no hydrogen 2.955 N/A ASP 255.A N LYS 260.A O no hydrogen 2.465 N/A LEU 256.A N PRO 240.A O no hydrogen 3.085 N/A ASP 258.A N ASP 255.A OD2 no hydrogen 2.744 N/A LYS 260.A N ASP 255.A O no hydrogen 3.188 N/A ILE 262.A N LEU 253.A O no hydrogen 2.630 N/A ASN 263.A N LEU 253.A O no hydrogen 3.367 N/A GLN 264.A N ASN 263.A OD1 no hydrogen 2.542 N/A MET 265.A N ILE 251.A O no hydrogen 2.395 N/A ASN 267.A N HIS 250.A ND1 no hydrogen 3.047 N/A HIS 269.A N GLY 249.A O no hydrogen 3.458 N/A HIS 269.A ND1 ASP 291.A OD1 no hydrogen 3.279 N/A HIS 269.A NE2 THR 287.A OG1 no hydrogen 3.091 N/A SER 270.A OG ASP 291.A OD2 no hydrogen 3.366 N/A ALA 274.A N ASN 288.A O no hydrogen 3.297 N/A GLY 275.A N ASN 288.A OD1 no hydrogen 3.161 N/A THR 277.A N VAL 286.A O no hydrogen 3.072 N/A PHE 278.A N SER 233.A OG no hydrogen 2.765 N/A LEU 279.A N LEU 284.A O no hydrogen 3.145 N/A ARG 281.A N THR 236.A OG1 no hydrogen 3.004 N/A GLU 282.A N LEU 279.A O no hydrogen 3.297 N/A LEU 285.A N TRP 297.A O no hydrogen 2.701 N/A VAL 286.A N THR 277.A O no hydrogen 2.929 N/A THR 287.A N ARG 295.A O no hydrogen 2.952 N/A THR 287.A OG1 HIS 269.A NE2 no hydrogen 3.091 N/A GLY 289.A N ALA 293.A O no hydrogen 3.431 N/A ASN 292.A ND2 GLY 14.A O no hydrogen 2.819 N/A ASN 292.A ND2 HIS 315.A O no hydrogen 3.607 N/A LEU 294.A N ARG 312.A O no hydrogen 3.338 N/A ARG 295.A N THR 287.A O no hydrogen 2.766 N/A ARG 295.A NH2 HIS 269.A ND1 no hydrogen 3.040 N/A ARG 295.A NH2 ASP 291.A OD2 no hydrogen 3.199 N/A ILE 296.A N ARG 310.A O no hydrogen 2.885 N/A TRP 297.A N LEU 285.A O no hydrogen 2.694 N/A TRP 297.A NE1 THR 287.A OG1 no hydrogen 2.996 N/A ILE 298.A N ARG 307.A O no hydrogen 3.198 N/A PHE 299.A N PRO 283.A O no hydrogen 3.268 N/A GLY 304.A N GLY 301.A O no hydrogen 3.135 N/A GLU 305.A N PRO 302.A O no hydrogen 3.282 N/A ARG 307.A N ILE 298.A O no hydrogen 3.172 N/A LEU 309.A N ILE 296.A O no hydrogen 2.972 N/A ARG 312.A N LEU 294.A O no hydrogen 2.993 N/A ARG 312.A NE LEU 51.A O no hydrogen 3.051 N/A ARG 312.A NH1 PHE 311.A O no hydrogen 3.073 N/A GLY 314.A N ASN 292.A O no hydrogen 3.269 N/A HIS 315.A NE2 SER 334.A OG no hydrogen 3.219 N/A SER 316.A N ASP 338.A OD2 no hydrogen 3.397 N/A SER 316.A OG ASP 338.A OD2 no hydrogen 3.476 N/A THR 320.A N ALA 335.A O no hydrogen 2.950 N/A THR 320.A OG1 ALA 335.A O no hydrogen 3.068 N/A THR 320.A OG1 ILE 381.A O no hydrogen 3.047 N/A ARG 323.A N LEU 333.A O no hydrogen 2.886 N/A TYR 325.A N GLN 331.A O no hydrogen 3.329 N/A GLN 327.A N GLU 388.A OE1 no hydrogen 3.069 N/A ASN 328.A ND2 GLN 331.A OE1 no hydrogen 3.629 N/A GLN 331.A NE2 ASN 328.A OD1 no hydrogen 3.121 N/A ILE 332.A N PHE 344.A O no hydrogen 2.826 N/A LEU 333.A N ARG 323.A O no hydrogen 2.812 N/A SER 334.A N GLN 342.A O no hydrogen 2.866 N/A SER 334.A OG HIS 315.A NE2 no hydrogen 3.219 N/A SER 334.A OG GLN 342.A O no hydrogen 3.413 N/A ALA 335.A N ASN 321.A O no hydrogen 3.026 N/A SER 336.A OG ALA 317.A O no hydrogen 2.775 N/A SER 336.A OG PRO 318.A O no hydrogen 2.977 N/A SER 336.A OG ASP 338.A OD1 no hydrogen 3.406 N/A GLN 337.A N PRO 318.A O no hydrogen 3.139 N/A ASP 338.A N SER 336.A OG no hydrogen 3.417 N/A GLY 339.A N SER 336.A O no hydrogen 3.359 N/A THR 340.A N ASP 338.A OD1 no hydrogen 3.395 N/A THR 340.A OG1 GLY 356.A O no hydrogen 2.719 N/A LEU 341.A N GLY 356.A O no hydrogen 3.377 N/A GLN 342.A N SER 334.A O no hydrogen 2.913 N/A SER 343.A N LYS 353.A O no hydrogen 2.739 N/A SER 343.A OG TYR 412.A OH no hydrogen 3.041 N/A PHE 344.A N ILE 332.A O no hydrogen 2.807 N/A SER 345.A N ASN 352.A OD1 no hydrogen 2.648 N/A SER 345.A OG GLN 330.A O no hydrogen 3.418 N/A SER 345.A OG HIS 348.A O no hydrogen 3.078 N/A THR 346.A N GLN 330.A O no hydrogen 2.758 N/A THR 346.A OG1 GLY 329.A O no hydrogen 3.437 N/A VAL 347.A N SER 345.A OG no hydrogen 3.251 N/A LYS 350.A N HIS 348.A ND1 no hydrogen 3.165 N/A PHE 351.A N HIS 348.A O no hydrogen 3.508 N/A ASN 352.A N GLU 349.A O no hydrogen 3.243 N/A LYS 353.A N SER 343.A O no hydrogen 3.027 N/A LYS 353.A NZ TYR 412.A O no hydrogen 3.357 N/A LYS 353.A NZ SER 415.A OG no hydrogen 3.007 N/A LEU 355.A N LEU 341.A O no hydrogen 2.762 N/A GLY 356.A N SER 354.A OG no hydrogen 3.308 N/A GLY 358.A N GLY 339.A O no hydrogen 3.182 N/A ILE 360.A N VAL 376.A O no hydrogen 3.347 N/A LYS 362.A NZ THR 416.A OG1 no hydrogen 2.934 N/A ARG 364.A N ASN 361.A O no hydrogen 2.981 N/A VAL 365.A N LYS 362.A O no hydrogen 2.937 N/A LYS 366.A N LYS 362.A O no hydrogen 3.402 N/A ARG 367.A N ARG 364.A O no hydrogen 3.249 N/A LYS 368.A N ARG 364.A O no hydrogen 3.197 N/A LYS 368.A NZ ASN 372.A O no hydrogen 3.037 N/A GLY 369.A N VAL 365.A O no hydrogen 2.698 N/A THR 373.A OG1 GLY 369.A O no hydrogen 2.874 N/A THR 373.A OG1 LEU 370.A O no hydrogen 2.551 N/A ARG 377.A N MET 374.A O no hydrogen 3.211 N/A LEU 378.A N GLY 358.A O no hydrogen 3.144 N/A THR 382.A N CYS 400.A O no hydrogen 3.178 N/A THR 382.A OG1 CYS 400.A O no hydrogen 3.090 N/A ALA 385.A N ILE 398.A O no hydrogen 2.894 N/A GLU 387.A N GLY 396.A O no hydrogen 2.982 N/A ARG 390.A NH1 ASP 393.A OD2 no hydrogen 2.749 N/A GLU 391.A N GLU 388.A O no hydrogen 3.341 N/A SER 392.A OG GLU 391.A OE2 no hydrogen 3.147 N/A TRP 394.A N ARG 390.A O no hydrogen 3.306 N/A TRP 394.A NE1 GLY 443.A O no hydrogen 3.390 N/A GLY 396.A N TRP 410.A O no hydrogen 3.399 N/A ILE 397.A N TRP 410.A O no hydrogen 3.387 N/A ILE 398.A N ALA 385.A O no hydrogen 2.959 N/A ALA 399.A N SER 408.A O no hydrogen 2.810 N/A CYS 400.A N LYS 383.A O no hydrogen 2.979 N/A CYS 400.A SG THR 382.A OG1 no hydrogen 3.584 N/A CYS 400.A SG LYS 383.A O no hydrogen 3.754 N/A HIS 401.A ND1 PRO 379.A O no hydrogen 2.649 N/A HIS 401.A NE2 SER 408.A OG no hydrogen 2.896 N/A GLN 402.A N PRO 380.A O no hydrogen 2.978 N/A CYS 407.A N LEU 422.A O no hydrogen 2.979 N/A SER 408.A N ALA 399.A O no hydrogen 2.729 N/A SER 408.A OG ALA 399.A O no hydrogen 3.473 N/A SER 408.A OG HIS 401.A NE2 no hydrogen 2.896 N/A THR 409.A OG1 ASP 395.A OD2 no hydrogen 3.556 N/A THR 409.A OG1 TYR 420.A O no hydrogen 3.270 N/A TRP 410.A N ILE 397.A O no hydrogen 2.981 N/A TRP 410.A NE1 SER 408.A OG no hydrogen 3.072 N/A ASN 411.A N THR 416.A O no hydrogen 3.047 N/A ASN 411.A ND2 ASP 395.A OD1 no hydrogen 2.966 N/A TYR 412.A OH SER 343.A OG no hydrogen 3.041 N/A LYS 414.A N ASN 411.A OD1 no hydrogen 3.103 N/A SER 415.A N TYR 412.A O no hydrogen 2.887 N/A SER 415.A OG TYR 412.A O no hydrogen 3.098 N/A SER 415.A OG GLN 413.A O no hydrogen 3.304 N/A THR 416.A N ASN 411.A O no hydrogen 3.317 N/A GLY 418.A N THR 409.A O no hydrogen 2.575 N/A TYR 420.A OH GLN 461.A O no hydrogen 3.101 N/A LEU 422.A N CYS 407.A O no hydrogen 2.924 N/A LYS 423.A NZ LEU 427.A O no hydrogen 3.242 N/A GLU 426.A N GLU 426.A OE2 no hydrogen 2.557 N/A LYS 429.A NZ ASP 431.A OD2 no hydrogen 2.894 N/A THR 433.A N SER 451.A OG no hydrogen 3.286 N/A ALA 434.A N LYS 404.A O no hydrogen 3.472 N/A ASP 438.A N VAL 447.A O no hydrogen 3.053 N/A THR 440.A N PHE 445.A O no hydrogen 3.063 N/A SER 441.A OG GLY 486.A O no hydrogen 2.875 N/A SER 441.A OG ASN 488.A OD1 no hydrogen 3.277 N/A GLY 443.A N THR 440.A O no hydrogen 3.155 N/A ALA 446.A N TYR 458.A O no hydrogen 2.701 N/A VAL 447.A N ASP 438.A O no hydrogen 2.823 N/A ILE 448.A N ASP 456.A O no hydrogen 2.960 N/A GLY 449.A N ALA 436.A O no hydrogen 2.814 N/A SER 451.A N THR 433.A O no hydrogen 2.856 N/A SER 451.A OG THR 433.A O no hydrogen 3.399 N/A GLY 453.A N LEU 450.A O no hydrogen 3.082 N/A ASP 456.A N ILE 448.A O no hydrogen 2.943 N/A VAL 457.A N GLY 467.A O no hydrogen 3.214 N/A TYR 458.A N ALA 446.A O no hydrogen 2.833 N/A ASN 459.A N ILE 464.A O no hydrogen 3.317 N/A MET 460.A N ASN 444.A O no hydrogen 2.428 N/A SER 462.A N ASN 459.A OD1 no hydrogen 2.789 N/A SER 462.A OG ASN 459.A OD1 no hydrogen 2.989 N/A GLY 463.A N ASN 459.A O no hydrogen 2.821 N/A HIS 465.A NE2 ASP 456.A OD1 no hydrogen 3.156 N/A ARG 466.A N VAL 457.A O no hydrogen 2.896 N/A GLY 467.A N HIS 465.A ND1 no hydrogen 3.259 N/A PHE 469.A N VAL 455.A O no hydrogen 3.162 N/A LYS 471.A NZ ASP 472.A OD2 no hydrogen 2.454 N/A GLN 473.A NE2 ASP 472.A OD1 no hydrogen 2.885 N/A HIS 475.A N GLY 453.A O no hydrogen 3.057 N/A HIS 475.A ND1 GLU 497.A OE2 no hydrogen 2.733 N/A HIS 475.A NE2 THR 493.A OG1 no hydrogen 2.908 N/A GLY 477.A N GLU 497.A OE1 no hydrogen 3.315 N/A SER 478.A N SER 496.A OG no hydrogen 3.134 N/A SER 478.A OG SER 451.A O no hydrogen 2.716 N/A VAL 479.A N LEU 450.A O no hydrogen 3.442 N/A ARG 480.A N THR 494.A O no hydrogen 3.383 N/A ARG 480.A NH1 PRO 520.A O no hydrogen 2.941 N/A GLY 481.A N THR 494.A OG1 no hydrogen 2.861 N/A ALA 483.A N VAL 492.A O no hydrogen 2.873 N/A ASP 485.A N LEU 490.A O no hydrogen 2.952 N/A GLY 486.A N ASP 485.A OD2 no hydrogen 2.330 N/A ASN 488.A N ASP 485.A O no hydrogen 3.114 N/A THR 491.A N TRP 503.A O no hydrogen 2.777 N/A VAL 492.A N ALA 483.A O no hydrogen 2.988 N/A THR 493.A N LYS 501.A O no hydrogen 3.093 N/A THR 493.A OG1 HIS 475.A NE2 no hydrogen 2.908 N/A THR 494.A N GLY 481.A O no hydrogen 3.009 N/A THR 494.A OG1 GLY 481.A O no hydrogen 3.245 N/A GLY 495.A N LEU 499.A O no hydrogen 3.285 N/A SER 496.A N SER 478.A O no hydrogen 2.781 N/A GLU 497.A N GLU 497.A OE1 no hydrogen 2.587 N/A GLY 498.A N GLY 495.A O no hydrogen 3.313 N/A LEU 500.A N VAL 514.A O no hydrogen 2.688 N/A LYS 501.A N THR 493.A O no hydrogen 3.201 N/A PHE 502.A N HIS 512.A O no hydrogen 3.066 N/A TRP 503.A N THR 491.A O no hydrogen 2.608 N/A TRP 503.A NE1 THR 493.A OG1 no hydrogen 3.180 N/A ASN 504.A N ILE 509.A O no hydrogen 3.143 N/A ASN 504.A ND2 ASN 507.A OD1 no hydrogen 3.617 N/A PHE 505.A N GLN 489.A O no hydrogen 3.496 N/A LYS 506.A NZ ASN 488.A O no hydrogen 2.372 N/A LYS 508.A NZ ARG 466.A O no hydrogen 3.570 N/A ILE 511.A N PHE 502.A O no hydrogen 3.022 N/A VAL 514.A N LEU 500.A O no hydrogen 2.680 N/A LEU 516.A N GLY 498.A O no hydrogen 2.869 N/A SER 519.A OG SER 496.A O no hydrogen 3.119 N/A ASN 521.A N ALA 535.A O no hydrogen 2.552 N/A LEU 524.A N GLY 533.A O no hydrogen 3.437 N/A HIS 526.A N ILE 531.A O no hydrogen 2.881 N/A ARG 527.A NE VAL 484.A O no hydrogen 3.126 N/A ARG 527.A NH2 ILE 439.A O no hydrogen 2.801 N/A SER 529.A N ASP 528.A OD1 no hydrogen 2.569 N/A GLY 530.A N HIS 526.A O no hydrogen 2.871 N/A ILE 531.A N HIS 526.A O no hydrogen 3.254 N/A LEU 532.A N LEU 544.A O no hydrogen 3.044 N/A GLY 533.A N LEU 524.A O no hydrogen 3.088 N/A LEU 534.A N SER 542.A O no hydrogen 2.939 N/A ALA 535.A N ILE 522.A O no hydrogen 3.298 N/A LEU 536.A N SER 540.A O no hydrogen 3.171 N/A ASP 537.A N SER 519.A O no hydrogen 3.070 N/A PHE 539.A N LEU 536.A O no hydrogen 3.282 N/A SER 540.A N ASP 538.A OD1 no hydrogen 3.323 N/A SER 540.A OG ASP 538.A OD1 no hydrogen 3.064 N/A ILE 541.A N PHE 555.A O no hydrogen 2.647 N/A SER 542.A N LEU 534.A O no hydrogen 2.967 N/A VAL 543.A N ARG 553.A O no hydrogen 2.880 N/A LEU 544.A N LEU 532.A O no hydrogen 3.203 N/A ASP 545.A N LYS 550.A O no hydrogen 3.163 N/A ILE 546.A N GLY 530.A O no hydrogen 3.106 N/A GLU 547.A N ASP 545.A OD1 no hydrogen 3.348 N/A ARG 549.A N ASP 545.A O no hydrogen 2.901 N/A VAL 552.A N VAL 543.A O no hydrogen 2.660 N/A ARG 553.A N VAL 543.A O no hydrogen 3.127 N/A ARG 553.A NE LEU 588.A O no hydrogen 3.108 N/A ARG 553.A NH1 VAL 552.A O no hydrogen 2.764 N/A ARG 553.A NH2 PRO 589.A O no hydrogen 3.030 N/A PHE 555.A N ILE 541.A O no hydrogen 2.741 N/A HIS 558.A NE2 SER 576.A OG no hydrogen 2.905 N/A GLN 559.A N ASP 580.A OD2 no hydrogen 2.686 N/A ASN 563.A N ALA 577.A O no hydrogen 2.703 N/A ASP 564.A N ALA 577.A O no hydrogen 3.461 N/A MET 565.A N ASP 564.A OD1 no hydrogen 2.569 N/A ALA 566.A N ILE 575.A O no hydrogen 2.548 N/A SER 568.A N TRP 573.A O no hydrogen 2.995 N/A GLY 571.A N SER 568.A O no hydrogen 2.919 N/A ARG 572.A N ASP 570.A OD1 no hydrogen 3.128 N/A LEU 574.A N TRP 586.A O no hydrogen 3.039 N/A ILE 575.A N ALA 566.A O no hydrogen 2.638 N/A SER 576.A N ARG 584.A O no hydrogen 3.192 N/A SER 576.A OG HIS 558.A NE2 no hydrogen 2.905 N/A ALA 577.A N ASP 564.A O no hydrogen 2.923 N/A ALA 578.A N SER 582.A O no hydrogen 3.485 N/A MET 579.A N GLN 561.A O no hydrogen 2.772 N/A CYS 581.A SG MET 579.A O no hydrogen 3.870 N/A SER 582.A OG ASP 580.A OD1 no hydrogen 2.365 N/A ILE 583.A N PHE 597.A O no hydrogen 3.239 N/A ARG 584.A N SER 576.A O no hydrogen 3.263 N/A ARG 584.A NH1 TYR 646.A O no hydrogen 3.440 N/A ARG 584.A NH2 TYR 646.A O no hydrogen 3.000 N/A THR 585.A N ASP 595.A O no hydrogen 2.931 N/A TRP 586.A N LEU 574.A O no hydrogen 2.947 N/A ASP 587.A N CYS 592.A O no hydrogen 3.109 N/A LEU 588.A N ARG 572.A O no hydrogen 3.055 N/A SER 590.A N ASP 587.A OD2 no hydrogen 3.033 N/A SER 590.A OG ASP 587.A O no hydrogen 3.380 N/A SER 590.A OG ASP 587.A OD2 no hydrogen 2.908 N/A GLY 591.A N ASP 587.A O no hydrogen 2.463 N/A CYS 592.A SG SER 590.A OG no hydrogen 2.687 N/A ILE 594.A N THR 585.A O no hydrogen 3.051 N/A PHE 597.A N ILE 583.A O no hydrogen 3.451 N/A LEU 599.A N CYS 581.A O no hydrogen 2.706 N/A LEU 604.A N SER 618.A O no hydrogen 2.650 N/A ASN 605.A N SER 618.A O no hydrogen 3.389 N/A ASN 605.A ND2 THR 320.A O no hydrogen 2.600 N/A ASN 605.A ND2 SER 618.A OG no hydrogen 3.340 N/A SER 607.A N ALA 616.A O no hydrogen 3.045 N/A SER 609.A N PHE 614.A O no hydrogen 3.050 N/A SER 609.A OG THR 611.A OG1 no hydrogen 3.272 N/A SER 609.A OG ASP 613.A OD1 no hydrogen 3.213 N/A THR 611.A N SER 609.A OG no hydrogen 3.311 N/A THR 611.A OG1 SER 609.A OG no hydrogen 3.272 N/A ASP 613.A N THR 611.A OG1 no hydrogen 3.415 N/A LEU 615.A N TRP 628.A O no hydrogen 2.771 N/A ALA 616.A N SER 607.A O no hydrogen 2.896 N/A THR 617.A N TYR 626.A O no hydrogen 3.025 N/A SER 618.A N ASN 605.A O no hydrogen 3.216 N/A ILE 625.A N LEU 13.A O no hydrogen 2.825 N/A TYR 626.A N THR 617.A O no hydrogen 3.085 N/A LEU 627.A N ARG 11.A O no hydrogen 2.956 N/A TRP 628.A N LEU 615.A O no hydrogen 2.720 N/A TRP 628.A NE1 THR 617.A OG1 no hydrogen 2.766 N/A SER 629.A N ALA 8.A O no hydrogen 2.599 N/A SER 629.A OG ALA 8.A O no hydrogen 3.071 N/A ASN 630.A N ASP 613.A O no hydrogen 2.899 N/A ASN 630.A ND2 GLY 612.A O no hydrogen 3.434 N/A ILE 631.A N LEU 6.A O no hydrogen 3.201 N/A SER 632.A N ASN 630.A OD1 no hydrogen 3.182 N/A SER 632.A OG ASN 630.A OD1 no hydrogen 2.895 N/A SER 635.A OG VAL 636.A O no hydrogen 3.539 N/A LEU 642.A N LEU 593.A O no hydrogen 2.907 N/A ASP 645.A N ASP 645.A OD1 no hydrogen 2.524 N/A MET 652.A N LEU 598.A O no hydrogen 3.363 N/A CYS 657.A SG PHE 10.A O no hydrogen 3.631 N/A GLN 658.A N THR 656.A OG1 no hydrogen 3.266 N/A GLU 669.A N GLU 669.A OE1 no hydrogen 2.630 N/A GLN 670.A NE2 LEU 675.A O no hydrogen 3.168 N/A GLN 670.A NE2 ARG 807.A O no hydrogen 3.024 N/A GLU 673.A N ASN 672.A OD1 no hydrogen 2.538 N/A LEU 675.A N ASN 672.A O no hydrogen 3.203 N/A THR 677.A N LYS 808.A O no hydrogen 2.981 N/A THR 677.A OG1 LYS 808.A O no hydrogen 3.518 N/A SER 679.A OG GLU 812.A OE2 no hydrogen 2.520 N/A ARG 685.A N PRO 682.A O no hydrogen 3.312 N/A TRP 686.A N GLU 683.A O no hydrogen 3.379 N/A LYS 687.A N GLU 683.A O no hydrogen 3.114 N/A ILE 695.A N ASN 691.A O no hydrogen 3.212 N/A LYS 696.A N LEU 692.A O no hydrogen 3.031 N/A LYS 697.A N ASP 693.A O no hydrogen 2.995 N/A LYS 698.A N VAL 694.A O no hydrogen 3.312 N/A ASN 699.A N LYS 696.A O no hydrogen 3.293 N/A SER 746.A OG ARG 724.A O no hydrogen 3.194 N/A SER 746.A OG GLU 779.A OE1 no hydrogen 3.033 N/A SER 746.A OG GLU 779.A OE2 no hydrogen 3.342 N/A LEU 750.A N SER 746.A O no hydrogen 2.850 N/A LYS 751.A N ASP 747.A O no hydrogen 3.048 N/A LEU 752.A N PHE 748.A O no hydrogen 3.014 N/A GLU 753.A N CYS 749.A O no hydrogen 3.118 N/A GLU 754.A N LEU 750.A O no hydrogen 3.280 N/A GLY 755.A N LYS 751.A O no hydrogen 3.039 N/A LEU 756.A N GLU 753.A O no hydrogen 3.254 N/A VAL 757.A N GLU 754.A O no hydrogen 3.210 N/A ASN 758.A N GLU 754.A O no hydrogen 3.512 N/A TYR 761.A OH ASN 759.A OD1 no hydrogen 3.214 N/A LEU 765.A N TYR 761.A O no hydrogen 2.759 N/A ASN 766.A N ASP 762.A O no hydrogen 2.968 N/A LEU 767.A N THR 763.A O no hydrogen 3.451 N/A LEU 768.A N ALA 764.A O no hydrogen 3.032 N/A LYS 769.A N LEU 765.A O no hydrogen 2.958 N/A LYS 769.A NZ ASP 810.A OD2 no hydrogen 2.875 N/A GLU 770.A N LEU 767.A O no hydrogen 3.204 N/A SER 771.A N LEU 767.A O no hydrogen 3.131 N/A SER 771.A OG LEU 767.A O no hydrogen 3.253 N/A ILE 776.A N GLY 772.A O no hydrogen 2.680 N/A GLU 777.A N PRO 773.A O no hydrogen 3.112 N/A THR 778.A N SER 774.A O no hydrogen 3.355 N/A THR 778.A OG1 SER 774.A O no hydrogen 3.350 N/A GLU 779.A N GLY 775.A O no hydrogen 2.975 N/A LEU 780.A N ILE 776.A O no hydrogen 2.997 N/A ARG 781.A N GLU 777.A O no hydrogen 2.934 N/A ARG 781.A NE GLU 777.A OE2 no hydrogen 2.291 N/A SER 782.A N THR 778.A O no hydrogen 2.866 N/A SER 782.A OG THR 778.A O no hydrogen 3.394 N/A SER 782.A OG GLU 779.A O no hydrogen 2.467 N/A LEU 783.A N LEU 780.A O no hydrogen 3.127 N/A SER 784.A N ARG 781.A O no hydrogen 3.353 N/A CYS 787.A N SER 784.A O no hydrogen 3.232 N/A CYS 787.A SG ARG 781.A O no hydrogen 3.222 N/A GLY 788.A N PRO 785.A O no hydrogen 3.373 N/A GLY 789.A N SER 784.A O no hydrogen 2.988 N/A GLU 792.A N SER 790.A OG no hydrogen 3.207 N/A VAL 793.A N SER 790.A O no hydrogen 3.009 N/A MET 794.A N SER 790.A O no hydrogen 3.181 N/A GLN 795.A N ILE 791.A O no hydrogen 3.235 N/A SER 796.A N GLU 792.A O no hydrogen 3.342 N/A SER 796.A N VAL 793.A O no hydrogen 2.901 N/A SER 796.A OG LEU 752.A O no hydrogen 2.852 N/A PHE 797.A N VAL 793.A O no hydrogen 3.231 N/A LEU 798.A N MET 794.A O no hydrogen 3.226 N/A LYS 799.A N GLN 795.A O no hydrogen 3.131 N/A MET 800.A N SER 796.A O no hydrogen 2.869 N/A ILE 801.A N PHE 797.A O no hydrogen 3.200 N/A GLY 802.A N LEU 798.A O no hydrogen 3.281 N/A MET 803.A N LYS 799.A O no hydrogen 3.280 N/A MET 804.A N MET 800.A O no hydrogen 3.402 N/A LEU 805.A N ILE 801.A O no hydrogen 3.332 N/A LEU 805.A N GLY 802.A O no hydrogen 2.993 N/A ASP 806.A N GLY 802.A O no hydrogen 3.115 N/A ARG 807.A N MET 803.A O no hydrogen 3.150 N/A LYS 808.A NZ GLN 674.A O no hydrogen 3.383 N/A PHE 811.A N THR 677.A O no hydrogen 3.350 N/A GLU 812.A N GLU 812.A OE1 no hydrogen 2.640 N/A ALA 814.A N ASP 810.A O no hydrogen 3.256 N/A GLN 815.A N PHE 811.A O no hydrogen 3.311 N/A ALA 816.A N GLU 812.A O no hydrogen 2.984 N/A TYR 817.A N LEU 813.A O no hydrogen 2.937 N/A LEU 818.A N ALA 814.A O no hydrogen 3.156 N/A ALA 819.A N GLN 815.A O no hydrogen 3.028 N/A LEU 820.A N ALA 816.A O no hydrogen 3.248 N/A PHE 821.A N TYR 817.A O no hydrogen 2.979 N/A LEU 822.A N LEU 818.A O no hydrogen 2.942 N/A LYS 823.A N ALA 819.A O no hydrogen 3.086 N/A LEU 824.A N LEU 820.A O no hydrogen 3.095 N/A LEU 824.A N PHE 821.A O no hydrogen 3.268 N/A HIS 825.A N PHE 821.A O no hydrogen 3.221 N/A LEU 829.A N LEU 826.A O no hydrogen 3.298 N/A SER 831.A OG MET 828.A O no hydrogen 2.599 N/A GLU 832.A N LEU 829.A O no hydrogen 3.295 N/A LEU 836.A N PRO 833.A O no hydrogen 3.088 N/A GLU 837.A N GLU 837.A OE1 no hydrogen 2.950 N/A ILE 839.A N LEU 835.A O no hydrogen 3.256 N/A THR 840.A N LEU 836.A O no hydrogen 2.954 N/A THR 840.A OG1 LEU 836.A O no hydrogen 3.228 N/A ASN 841.A N GLU 837.A O no hydrogen 3.351 N/A LEU 842.A N GLU 838.A O no hydrogen 2.715 N/A SER 843.A N ILE 839.A O no hydrogen 2.367 N/A SER 843.A OG THR 840.A O no hydrogen 3.373 N/A SER 844.A N THR 840.A O no hydrogen 3.377 N/A SER 844.A OG THR 840.A O no hydrogen 3.484 N/A SER 844.A OG ASN 841.A O no hydrogen 2.717 N/A GLN 845.A N ASN 841.A O no hydrogen 3.213 N/A VAL 846.A N LEU 842.A O no hydrogen 3.053 N/A GLU 847.A N SER 843.A O no hydrogen 3.216 N/A GLU 848.A N SER 844.A O no hydrogen 2.986 N/A ASN 849.A N GLN 845.A O no hydrogen 3.020 N/A ASN 849.A ND2 GLN 845.A O no hydrogen 3.069 N/A TRP 850.A N VAL 846.A O no hydrogen 3.095 N/A THR 851.A N GLU 847.A O no hydrogen 3.070 N/A THR 851.A OG1 GLU 847.A O no hydrogen 2.649 N/A HIS 852.A N GLU 848.A O no hydrogen 3.388 N/A LEU 853.A N ASN 849.A O no hydrogen 3.222 N/A GLN 854.A N TRP 850.A O no hydrogen 2.521 N/A SER 855.A N THR 851.A O no hydrogen 3.159 N/A SER 855.A OG HIS 852.A O no hydrogen 2.908 N/A LEU 856.A N HIS 852.A O no hydrogen 3.412 N/A PHE 857.A N LEU 853.A O no hydrogen 2.881 N/A ASN 858.A N GLN 854.A O no hydrogen 2.970 N/A GLN 859.A N SER 855.A O no hydrogen 2.931 N/A SER 860.A OG LEU 856.A O no hydrogen 3.028 N/A MET 861.A N PHE 857.A O no hydrogen 3.259 N/A CYS 862.A N ASN 858.A O no hydrogen 3.181 N/A CYS 862.A SG ASN 858.A O no hydrogen 3.634 N/A CYS 862.A SG GLN 859.A O no hydrogen 3.223 N/A ILE 863.A N GLN 859.A O no hydrogen 3.374 N/A LEU 864.A N SER 860.A O no hydrogen 3.159 N/A ASN 865.A N MET 861.A O no hydrogen 2.949 N/A TYR 866.A N CYS 862.A O no hydrogen 3.069 N/A LEU 867.A N ILE 863.A O no hydrogen 3.005 N/A LYS 868.A N LEU 864.A O no hydrogen 3.182 N/A LYS 868.A N ASN 865.A O no hydrogen 3.002 N/A SER 869.A N ASN 865.A O no hydrogen 3.248 N/A SER 869.A OG TYR 866.A O no hydrogen 3.442 N/A