Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6msg_f.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.A N GLU 3.A OE1 no hydrogen 2.964 N/A GLY 4.A N ASP 7.A OD2 no hydrogen 3.241 N/A VAL 11.A N LYS 8.A O no hydrogen 2.970 N/A GLN 12.A N LYS 8.A O no hydrogen 2.945 N/A GLN 14.A N VAL 11.A O no hydrogen 3.077 N/A GLN 14.A NE2 LEU 59.A O no hydrogen 3.306 N/A GLN 15.A N GLN 12.A O no hydrogen 3.301 N/A SER 16.A N GLN 12.A O no hydrogen 2.883 N/A SER 16.A OG GLN 12.A O no hydrogen 3.241 N/A SER 16.A OG GLN 12.A OE1 no hydrogen 2.545 N/A ALA 19.A N GLN 15.A O no hydrogen 2.567 N/A ALA 20.A N PRO 17.A O no hydrogen 3.327 N/A GLY 23.A N ALA 20.A O no hydrogen 3.169 N/A THR 24.A OG1 ALA 20.A O no hydrogen 2.361 N/A LYS 31.A N LYS 27.A O no hydrogen 3.144 N/A GLU 32.A N SER 29.A O no hydrogen 2.986 N/A ARG 33.A N SER 29.A O no hydrogen 2.702 N/A ARG 33.A NH2 GLU 32.A OE2 no hydrogen 3.316 N/A ARG 34.A NE GLY 30.A O no hydrogen 2.780 N/A ARG 34.A NH2 ALA 19.A O no hydrogen 3.433 N/A ARG 34.A NH2 GLY 30.A O no hydrogen 3.212 N/A ALA 36.A N GLU 32.A O no hydrogen 2.910 N/A GLY 37.A N ARG 33.A O no hydrogen 2.850 N/A ASP 38.A N ARG 34.A O no hydrogen 2.876 N/A LYS 39.A N ASP 35.A O no hydrogen 2.742 N/A ASP 40.A N ALA 36.A O no hydrogen 3.127 N/A GLU 42.A N ASP 38.A O no hydrogen 3.066 N/A GLN 43.A N LYS 39.A O no hydrogen 2.958 N/A GLU 44.A N ASP 40.A O no hydrogen 2.772 N/A LEU 45.A N LYS 41.A O no hydrogen 2.944 N/A SER 46.A N GLN 43.A O no hydrogen 3.436 N/A GLU 48.A N GLU 48.A OE1 no hydrogen 2.721 N/A GLN 53.A N GLN 53.A OE1 no hydrogen 2.770 N/A LEU 59.A N LEU 56.A O no hydrogen 2.706 N/A VAL 60.A N LEU 56.A O no hydrogen 2.786 N/A GLU 61.A N GLU 61.A OE1 no hydrogen 2.658 N/A GLY 64.A N VAL 60.A O no hydrogen 2.671 N/A GLU 65.A N GLU 61.A O no hydrogen 2.875 N/A ASP 67.A N LEU 63.A O no hydrogen 2.891 N/A THR 68.A N GLY 64.A O no hydrogen 2.818 N/A THR 68.A OG1 GLY 64.A O no hydrogen 2.661 N/A SER 69.A N GLU 65.A O no hydrogen 3.145 N/A LEU 70.A N ASP 67.A O no hydrogen 2.797 N/A TYR 71.A N THR 68.A O no hydrogen 3.406 N/A ARG 72.A N THR 68.A O no hydrogen 3.089 N/A SER 84.A OG GLN 81.A O no hydrogen 2.506 N/A SER 85.A OG GLN 81.A O no hydrogen 3.411 N/A THR 86.A N ILE 82.A O no hydrogen 3.058 N/A THR 86.A OG1 ILE 82.A O no hydrogen 2.735 N/A THR 87.A N ARG 83.A O no hydrogen 3.076 N/A THR 87.A OG1 ARG 83.A O no hydrogen 2.394 N/A THR 87.A OG1 MET 113.A O no hydrogen 3.372 N/A MET 89.A N THR 86.A O no hydrogen 3.061 N/A THR 90.A N THR 86.A O no hydrogen 2.768 N/A THR 90.A OG1 THR 86.A O no hydrogen 2.415 N/A SER 91.A N THR 87.A O no hydrogen 3.249 N/A SER 91.A OG THR 87.A O no hydrogen 2.879 N/A LYS 94.A NZ LEU 106.A O no hydrogen 3.127 N/A LEU 96.A N PRO 93.A O no hydrogen 2.847 N/A LYS 97.A N PRO 93.A O no hydrogen 2.525 N/A LYS 97.A NZ THR 90.A O no hydrogen 3.211 N/A PHE 98.A N LYS 94.A O no hydrogen 3.295 N/A LYS 105.A N HIS 102.A O no hydrogen 2.703 N/A GLU 111.A N LYS 107.A O no hydrogen 2.782 N/A ARG 120.A N GLU 117.A O no hydrogen 2.487 N/A ALA 122.A N LYS 119.A O no hydrogen 3.065 N/A THR 132.A N SER 127.A O no hydrogen 3.266 N/A THR 132.A OG1 SER 127.A O no hydrogen 2.988 N/A SER 134.A N ALA 130.A O no hydrogen 2.490 N/A SER 134.A OG ALA 130.A O no hydrogen 2.651 N/A GLY 135.A N MET 131.A O no hydrogen 3.211 N/A GLU 136.A N THR 132.A O no hydrogen 2.983 N/A ARG 137.A N MET 133.A O no hydrogen 3.085 N/A ARG 137.A NH2 GLU 111.A OE1 no hydrogen 3.525 N/A GLU 138.A N SER 134.A O no hydrogen 3.133 N/A CYS 139.A N GLY 135.A O no hydrogen 2.952 N/A LYS 141.A N ARG 137.A O no hydrogen 3.080 N/A LYS 141.A NZ GLY 104.A O no hydrogen 3.529 N/A TYR 142.A N ARG 137.A O no hydrogen 3.118 N/A TYR 142.A OH GLU 190.A OE1 no hydrogen 2.939 N/A LEU 144.A N LEU 140.A O no hydrogen 3.306 N/A VAL 145.A N LYS 141.A O no hydrogen 3.411 N/A GLY 146.A N TYR 142.A O no hydrogen 2.614 N/A SER 147.A OG ARG 143.A O no hydrogen 2.340 N/A GLU 149.A N VAL 145.A O no hydrogen 3.098 N/A GLU 150.A N GLU 150.A OE1 no hydrogen 2.867 N/A HIS 156.A N SER 153.A O no hydrogen 2.661 N/A GLU 157.A N SER 153.A O no hydrogen 2.990 N/A ARG 160.A N HIS 156.A O no hydrogen 2.977 N/A LEU 162.A N TYR 158.A O no hydrogen 2.680 N/A ALA 163.A N VAL 159.A O no hydrogen 2.802 N/A GLY 164.A N ARG 160.A O no hydrogen 2.800 N/A GLU 165.A N HIS 161.A O no hydrogen 2.967 N/A VAL 166.A N LEU 162.A O no hydrogen 3.182 N/A ALA 167.A N ALA 163.A O no hydrogen 3.066 N/A LYS 168.A N GLY 164.A O no hydrogen 3.021 N/A LYS 168.A NZ ALA 204.A O no hydrogen 3.106 N/A GLU 169.A N GLU 165.A O no hydrogen 2.892 N/A TRP 170.A N VAL 166.A O no hydrogen 3.099 N/A GLU 172.A N GLU 169.A O no hydrogen 3.176 N/A LEU 173.A N GLU 169.A O no hydrogen 3.491 N/A VAL 179.A N ALA 176.A O no hydrogen 3.202 N/A GLN 180.A N GLU 177.A O no hydrogen 3.301 N/A ARG 181.A N LYS 178.A O no hydrogen 3.199 N/A GLU 182.A N VAL 179.A O no hydrogen 3.023 N/A LEU 184.A N GLN 180.A O no hydrogen 3.301 N/A LEU 185.A N ARG 181.A O no hydrogen 2.776 N/A LEU 185.A N GLU 182.A O no hydrogen 3.005 N/A THR 186.A N GLU 182.A O no hydrogen 2.672 N/A THR 186.A OG1 GLU 182.A O no hydrogen 2.485 N/A THR 186.A OG1 GLU 182.A OE2 no hydrogen 2.440 N/A LEU 187.A N PRO 183.A O no hydrogen 3.232 N/A LYS 189.A N LEU 185.A O no hydrogen 3.199 N/A LYS 189.A NZ TYR 142.A OH no hydrogen 3.493 N/A LYS 189.A NZ GLU 190.A OE2 no hydrogen 3.145 N/A ALA 197.A N PRO 193.A O no hydrogen 3.198 N/A HIS 198.A N TYR 194.A O no hydrogen 2.505 N/A ASN 199.A N ASN 195.A O no hydrogen 2.634 N/A GLU 201.A N ALA 197.A O no hydrogen 3.219 N/A HIS 202.A N HIS 198.A O no hydrogen 2.359 N/A GLU 203.A N ASN 199.A O no hydrogen 3.418 N/A ALA 204.A N ALA 200.A O no hydrogen 2.981 N/A CYS 205.A N GLU 201.A O no hydrogen 3.178 N/A CYS 205.A SG GLU 242.A OE1 no hydrogen 3.331 N/A ASP 206.A N HIS 202.A O no hydrogen 2.855 N/A LEU 207.A N GLU 203.A O no hydrogen 3.385 N/A LEU 208.A N CYS 205.A O no hydrogen 3.186 N/A GLN 213.A NE2 SER 246.A OG no hydrogen 3.412 N/A LEU 217.A N GLN 213.A O no hydrogen 2.720 N/A GLU 218.A N VAL 214.A O no hydrogen 2.981 N/A LYS 219.A N ASP 215.A O no hydrogen 2.974 N/A LYS 219.A NZ GLN 180.A O no hydrogen 3.480 N/A ASP 220.A N MET 216.A O no hydrogen 3.036 N/A ASP 222.A N GLU 218.A O no hydrogen 3.081 N/A GLU 223.A N LYS 219.A O no hydrogen 3.077 N/A ASN 224.A N ASP 220.A O no hydrogen 2.621 N/A ASN 224.A ND2 SER 235.A O no hydrogen 3.325 N/A ALA 225.A N ASP 222.A O no hydrogen 3.317 N/A TYR 232.A N LYS 228.A O no hydrogen 2.919 N/A LEU 233.A N VAL 229.A O no hydrogen 2.891 N/A THR 234.A N LEU 231.A O no hydrogen 3.119 N/A THR 234.A OG1 CYS 230.A O no hydrogen 2.667 N/A SER 235.A N LEU 231.A O no hydrogen 2.912 N/A SER 235.A OG ASN 224.A OD1 no hydrogen 2.299 N/A SER 235.A OG LEU 231.A O no hydrogen 2.916 N/A CYS 236.A SG TYR 232.A O no hydrogen 3.242 N/A VAL 237.A N THR 234.A O no hydrogen 3.175 N/A ASN 238.A N THR 234.A O no hydrogen 3.066 N/A ASN 238.A ND2 ASN 195.A OD1 no hydrogen 2.565 N/A TYR 239.A N SER 235.A O no hydrogen 3.096 N/A VAL 240.A N VAL 237.A O no hydrogen 3.396 N/A GLU 244.A N PRO 241.A O no hydrogen 3.072 N/A ASN 245.A N PRO 241.A O no hydrogen 2.606 N/A SER 246.A OG GLU 242.A O no hydrogen 2.345 N/A ALA 247.A N GLU 242.A O no hydrogen 3.316 N/A ARG 250.A NH1 ILE 281.A O no hydrogen 3.355 N/A ARG 250.A NH2 ILE 281.A O no hydrogen 2.592 N/A CYS 251.A N LEU 249.A O no hydrogen 2.604 N/A CYS 251.A SG CYS 285.A O no hydrogen 3.647 N/A CYS 251.A SG VAL 872.A O no hydrogen 3.361 N/A ARG 257.A N LEU 253.A O no hydrogen 2.660 N/A ARG 257.A NH1 ALA 252.A O no hydrogen 2.449 N/A ARG 257.A NH2 VAL 240.A O no hydrogen 2.356 N/A PHE 259.A N VAL 255.A O no hydrogen 3.339 N/A SER 260.A N ARG 257.A O no hydrogen 2.877 N/A SER 260.A OG SER 260.A O no hydrogen 2.496 N/A SER 260.A OG GLU 264.A OE1 no hydrogen 2.580 N/A ARG 261.A N LYS 258.A O no hydrogen 3.518 N/A LEU 268.A N ALA 265.A O no hydrogen 3.112 N/A LEU 270.A N LEU 266.A O no hydrogen 3.363 N/A MET 271.A N ARG 267.A O no hydrogen 2.593 N/A LEU 272.A N LEU 268.A O no hydrogen 2.766 N/A ASN 273.A N ALA 269.A O no hydrogen 2.415 N/A ASP 274.A N LEU 270.A O no hydrogen 2.705 N/A MET 275.A N MET 271.A O no hydrogen 2.732 N/A GLU 276.A N LEU 272.A O no hydrogen 2.676 N/A LEU 277.A N ASN 273.A O no hydrogen 3.155 N/A GLU 279.A N MET 275.A O no hydrogen 3.504 N/A ASP 280.A N VAL 278.A O no hydrogen 2.865 N/A CYS 285.A SG ILE 281.A O no hydrogen 3.292 N/A LYS 286.A NZ GLU 276.A O no hydrogen 2.395 N/A LYS 286.A NZ ASP 280.A OD1 no hydrogen 3.434 N/A ASP 287.A N THR 283.A O no hydrogen 2.457 N/A VAL 289.A N CYS 285.A O no hydrogen 2.912 N/A VAL 290.A N LYS 286.A O no hydrogen 3.187 N/A LYS 292.A NZ VAL 288.A O no hydrogen 2.764 N/A SER 308.A OG GLU 309.A OE1 no hydrogen 2.829 N/A SER 308.A OG GLU 309.A OE2 no hydrogen 3.326 N/A VAL 311.A N GLU 309.A O no hydrogen 2.847 N/A TYR 314.A N GLU 309.A O no hydrogen 3.139 N/A ILE 320.A N ASP 316.A O no hydrogen 2.588 N/A MET 321.A N LEU 317.A O no hydrogen 2.800 N/A SER 322.A N THR 318.A O no hydrogen 2.981 N/A ASN 323.A N THR 318.A O no hydrogen 3.458 N/A VAL 324.A N GLU 319.A O no hydrogen 2.792 N/A LEU 326.A N SER 322.A O no hydrogen 2.857 N/A ASN 327.A N ASN 323.A O no hydrogen 2.599 N/A ASN 327.A ND2 ASN 327.A O no hydrogen 2.924 N/A SER 328.A N VAL 324.A O no hydrogen 2.809 N/A ASN 329.A N GLN 325.A O no hydrogen 2.859 N/A ASN 329.A ND2 TRP 420.A O no hydrogen 3.011 N/A PHE 330.A N LEU 326.A O no hydrogen 2.803 N/A LEU 331.A N ASN 327.A O no hydrogen 3.075 N/A ALA 332.A N SER 328.A O no hydrogen 3.481 N/A LEU 333.A N ASN 329.A O no hydrogen 2.710 N/A ALA 334.A N PHE 330.A O no hydrogen 2.831 N/A GLU 336.A N LEU 331.A O no hydrogen 2.995 N/A ILE 339.A N ARG 335.A O no hydrogen 3.209 N/A THR 351.A N ILE 348.A O no hydrogen 3.205 N/A THR 351.A OG1 ASP 347.A O no hydrogen 2.556 N/A HIS 352.A N TYR 349.A O no hydrogen 3.174 N/A HIS 352.A ND1 ILE 348.A O no hydrogen 3.082 N/A PHE 358.A N ASN 355.A O no hydrogen 3.117 N/A ARG 369.A NH2 VAL 791.A O no hydrogen 2.448 N/A MET 370.A N SER 367.A O no hydrogen 3.286 N/A ASN 371.A N ALA 368.A O no hydrogen 3.308 N/A LEU 372.A N ARG 369.A O no hydrogen 3.388 N/A SER 374.A N MET 370.A O no hydrogen 3.011 N/A SER 374.A OG MET 370.A O no hydrogen 3.320 N/A SER 375.A N LEU 372.A O no hydrogen 3.371 N/A SER 375.A OG LEU 372.A O no hydrogen 2.684 N/A PHE 376.A N ALA 373.A O no hydrogen 3.171 N/A PHE 380.A N PHE 376.A O no hydrogen 3.299 N/A ASN 382.A ND2 ASN 378.A O no hydrogen 2.395 N/A GLY 386.A N ASN 382.A O no hydrogen 3.011 N/A LYS 389.A NZ GLN 428.A OE1 no hydrogen 2.946 N/A GLY 395.A N ASP 394.A OD1 no hydrogen 2.708 N/A ASN 396.A N THR 392.A O no hydrogen 2.568 N/A LYS 397.A N ASP 393.A O no hydrogen 2.862 N/A TRP 398.A N ASP 394.A O no hydrogen 3.466 N/A LEU 399.A N GLY 395.A O no hydrogen 2.646 N/A LYS 401.A NZ ASN 402.A OD1 no hydrogen 3.007 N/A HIS 405.A N ASP 404.A OD1 no hydrogen 2.718 N/A MET 407.A N LYS 403.A O no hydrogen 2.554 N/A LEU 408.A N ASP 404.A O no hydrogen 3.091 N/A SER 409.A N HIS 405.A O no hydrogen 2.927 N/A SER 409.A OG HIS 405.A O no hydrogen 2.725 N/A ALA 410.A N GLY 406.A O no hydrogen 2.825 N/A ALA 411.A N MET 407.A O no hydrogen 3.387 N/A ALA 412.A N LEU 408.A O no hydrogen 2.895 N/A SER 413.A N SER 409.A O no hydrogen 2.974 N/A SER 413.A OG ALA 410.A O no hydrogen 2.563 N/A ILE 417.A N SER 413.A O no hydrogen 3.053 N/A LEU 418.A N LEU 414.A O no hydrogen 3.179 N/A ASP 421.A N VAL 451.A O no hydrogen 3.076 N/A GLY 424.A N ASP 423.A OD1 no hydrogen 2.670 N/A THR 427.A OG1 GLY 424.A O no hydrogen 2.524 N/A ASP 430.A N LEU 426.A O no hydrogen 3.146 N/A LEU 433.A N ASP 430.A O no hydrogen 3.349 N/A SER 435.A N LEU 433.A O no hydrogen 2.800 N/A SER 436.A OG SER 436.A O no hydrogen 2.566 N/A LYS 441.A NZ LEU 433.A O no hydrogen 2.783 N/A SER 442.A N ASP 438.A O no hydrogen 3.171 N/A SER 442.A OG ASP 438.A O no hydrogen 2.836 N/A SER 442.A OG THR 476.A OG1 no hydrogen 3.139 N/A GLY 443.A N TYR 439.A O no hydrogen 3.295 N/A ALA 444.A N ILE 440.A O no hydrogen 3.046 N/A LEU 445.A N LYS 441.A O no hydrogen 2.797 N/A ALA 447.A N GLY 443.A O no hydrogen 3.083 N/A CYS 448.A SG ALA 444.A O no hydrogen 3.311 N/A GLY 449.A N LEU 446.A O no hydrogen 3.271 N/A VAL 451.A N ALA 447.A O no hydrogen 3.061 N/A ASN 452.A N CYS 448.A O no hydrogen 3.445 N/A SER 453.A N ILE 450.A O no hydrogen 3.374 N/A SER 453.A OG LEU 487.A O no hydrogen 3.422 N/A VAL 455.A N ASN 452.A O no hydrogen 3.252 N/A ARG 456.A NE SER 492.A OG no hydrogen 2.426 N/A CYS 459.A N ASN 457.A O no hydrogen 3.080 N/A CYS 459.A SG ASP 460.A OD1 no hydrogen 3.532 N/A SER 467.A OG LEU 463.A O no hydrogen 3.030 N/A SER 467.A OG ALA 464.A O no hydrogen 2.446 N/A ASP 468.A N ALA 464.A O no hydrogen 2.851 N/A TYR 469.A N LEU 465.A O no hydrogen 2.985 N/A TYR 469.A N LEU 466.A O no hydrogen 3.213 N/A VAL 470.A N LEU 466.A O no hydrogen 3.121 N/A HIS 472.A N TYR 469.A O no hydrogen 3.124 N/A HIS 472.A ND1 TYR 469.A O no hydrogen 2.320 N/A SER 474.A OG ASN 473.A OD1 no hydrogen 3.546 N/A THR 476.A OG1 ASP 438.A OD2 no hydrogen 2.873 N/A THR 476.A OG1 SER 442.A OG no hydrogen 3.139 N/A ARG 478.A N ASN 475.A O no hydrogen 2.582 N/A GLY 480.A N THR 476.A O no hydrogen 2.450 N/A LEU 487.A N PHE 483.A O no hydrogen 3.027 N/A ALA 488.A N GLY 484.A O no hydrogen 2.889 N/A TYR 489.A N LEU 485.A O no hydrogen 2.890 N/A TYR 489.A OH ASN 457.A O no hydrogen 3.373 N/A SER 492.A N TYR 489.A O no hydrogen 3.325 N/A ARG 494.A NE ASP 496.A OD1 no hydrogen 2.670 N/A ARG 494.A NH2 ASP 496.A OD1 no hydrogen 3.289 N/A ARG 494.A NH2 ASP 496.A OD2 no hydrogen 2.618 N/A VAL 497.A N ASP 496.A OD1 no hydrogen 2.708 N/A THR 499.A N GLU 495.A O no hydrogen 3.024 N/A THR 499.A OG1 GLU 495.A O no hydrogen 3.341 N/A THR 499.A OG1 ASP 496.A O no hydrogen 2.415 N/A LEU 500.A N ASP 496.A O no hydrogen 2.826 N/A LEU 501.A N VAL 497.A O no hydrogen 2.933 N/A GLY 506.A N LEU 502.A O no hydrogen 2.976 N/A SER 508.A OG SER 508.A O no hydrogen 2.532 N/A SER 510.A OG SER 508.A O no hydrogen 3.294 N/A GLU 513.A N GLU 513.A OE1 no hydrogen 2.828 N/A ALA 515.A N SER 511.A O no hydrogen 3.384 N/A GLY 516.A N MET 512.A O no hydrogen 3.096 N/A VAL 517.A N GLU 513.A O no hydrogen 3.288 N/A THR 518.A N VAL 514.A O no hydrogen 2.983 N/A THR 518.A OG1 VAL 514.A O no hydrogen 2.369 N/A ALA 519.A N ALA 515.A O no hydrogen 3.365 N/A LEU 520.A N GLY 516.A O no hydrogen 3.339 N/A ALA 521.A N VAL 517.A O no hydrogen 2.697 N/A CYS 522.A N THR 518.A O no hydrogen 3.027 N/A CYS 522.A SG THR 518.A O no hydrogen 3.304 N/A CYS 522.A SG ALA 519.A O no hydrogen 3.338 N/A GLY 523.A N ALA 519.A O no hydrogen 2.887 N/A MET 524.A N LEU 520.A O no hydrogen 3.258 N/A ILE 525.A N CYS 522.A O no hydrogen 3.333 N/A CYS 530.A SG GLU 495.A OE2 no hydrogen 3.673 N/A CYS 530.A SG ASP 533.A OD2 no hydrogen 3.295 N/A ASN 531.A ND2 ASN 531.A O no hydrogen 2.727 N/A ASP 533.A N CYS 530.A O no hydrogen 3.164 N/A THR 535.A N ASN 531.A O no hydrogen 2.995 N/A THR 535.A OG1 ASN 531.A O no hydrogen 3.264 N/A SER 536.A N GLY 532.A O no hydrogen 2.787 N/A SER 536.A OG GLY 532.A O no hydrogen 3.304 N/A SER 536.A OG ASP 533.A O no hydrogen 2.820 N/A THR 537.A N ASP 533.A O no hydrogen 2.990 N/A THR 537.A OG1 ASP 533.A O no hydrogen 3.024 N/A THR 537.A OG1 VAL 534.A O no hydrogen 3.044 N/A ILE 538.A N VAL 534.A O no hydrogen 3.319 N/A LEU 539.A N THR 535.A O no hydrogen 3.221 N/A GLN 540.A NE2 GLU 544.A OE2 no hydrogen 2.695 N/A THR 541.A N THR 537.A O no hydrogen 3.083 N/A THR 541.A OG1 THR 537.A O no hydrogen 2.572 N/A ILE 542.A N ILE 538.A O no hydrogen 2.926 N/A MET 543.A N LEU 539.A O no hydrogen 2.953 N/A GLU 544.A N GLN 540.A O no hydrogen 2.798 N/A LYS 545.A N THR 541.A O no hydrogen 2.933 N/A SER 546.A OG ILE 542.A O no hydrogen 2.453 N/A GLU 547.A N GLU 544.A O no hydrogen 3.137 N/A TYR 554.A N LYS 551.A O no hydrogen 3.373 N/A ARG 556.A N ASP 552.A O no hydrogen 2.484 N/A ARG 556.A NE ASP 552.A O no hydrogen 3.415 N/A ARG 556.A NH1 ASP 784.A O no hydrogen 2.644 N/A LEU 558.A N TYR 554.A O no hydrogen 3.407 N/A GLY 563.A N PRO 559.A O no hydrogen 3.179 N/A LEU 564.A N LEU 560.A O no hydrogen 2.883 N/A ASN 565.A N GLY 561.A O no hydrogen 2.905 N/A ASN 565.A ND2 SER 529.A O no hydrogen 3.451 N/A ASN 565.A ND2 ASN 565.A O no hydrogen 2.703 N/A HIS 566.A N GLY 563.A O no hydrogen 3.302 N/A GLY 568.A N CYS 598.A O no hydrogen 3.322 N/A LYS 569.A N ALA 599.A O no hydrogen 2.665 N/A LYS 569.A NZ VAL 527.A O no hydrogen 2.999 N/A LYS 569.A NZ LEU 567.A O no hydrogen 3.156 N/A LEU 577.A N ILE 573.A O no hydrogen 2.596 N/A ALA 578.A N GLU 574.A O no hydrogen 2.900 N/A ALA 579.A N ALA 575.A O no hydrogen 3.063 N/A GLU 581.A N ALA 578.A O no hydrogen 3.129 N/A VAL 582.A N ALA 578.A O no hydrogen 3.276 N/A SER 584.A OG VAL 582.A O no hydrogen 2.687 N/A SER 584.A OG GLU 585.A O no hydrogen 3.514 N/A PHE 587.A N GLU 585.A OE1 no hydrogen 2.859 N/A SER 589.A N GLU 585.A O no hydrogen 2.728 N/A SER 589.A OG SER 584.A O no hydrogen 3.358 N/A SER 589.A OG GLU 585.A O no hydrogen 3.174 N/A ALA 591.A N ARG 588.A O no hydrogen 3.308 N/A ASN 592.A N SER 589.A O no hydrogen 3.288 N/A LEU 594.A N ALA 591.A O no hydrogen 3.407 N/A CYS 598.A N LEU 594.A O no hydrogen 2.981 N/A CYS 598.A SG LEU 594.A O no hydrogen 3.221 N/A TYR 600.A N VAL 597.A O no hydrogen 2.861 N/A SER 603.A OG GLY 602.A O no hydrogen 2.610 N/A LYS 608.A N ASN 605.A O no hydrogen 2.516 N/A GLN 610.A N VAL 606.A O no hydrogen 2.991 N/A LEU 612.A N LYS 608.A O no hydrogen 2.763 N/A LEU 613.A N GLN 610.A O no hydrogen 2.981 N/A HIS 614.A N GLN 610.A O no hydrogen 2.665 N/A CYS 616.A SG ASP 628.A OD2 no hydrogen 3.816 N/A SER 617.A OG LEU 613.A O no hydrogen 2.360 N/A LYS 623.A N ASP 621.A O no hydrogen 2.509 N/A LYS 625.A N ASP 621.A OD2 no hydrogen 2.803 N/A LYS 625.A NZ ASP 621.A OD1 no hydrogen 3.191 N/A GLU 627.A N GLU 627.A OE1 no hydrogen 2.839 N/A ASP 628.A N LYS 625.A O no hydrogen 2.825 N/A LYS 629.A N LYS 625.A O no hydrogen 3.348 N/A LYS 629.A NZ ASP 621.A OD2 no hydrogen 3.515 N/A ASP 630.A N GLU 626.A O no hydrogen 3.351 N/A LYS 631.A N GLU 627.A O no hydrogen 2.898 N/A LYS 632.A N ASP 628.A O no hydrogen 2.627 N/A GLU 633.A N LYS 629.A O no hydrogen 3.125 N/A LYS 634.A N ASP 630.A O no hydrogen 2.691 N/A LYS 635.A N LYS 631.A O no hydrogen 3.143 N/A LYS 635.A NZ THR 593.A O no hydrogen 2.970 N/A ASP 636.A N GLU 633.A O no hydrogen 3.034 N/A LYS 637.A N LYS 634.A O no hydrogen 3.284 N/A LYS 639.A N ALA 601.A O no hydrogen 2.891 N/A LYS 640.A NZ ASP 636.A OD2 no hydrogen 2.531 N/A GLY 651.A N GLY 647.A O no hydrogen 2.564 N/A VAL 652.A N ALA 648.A O no hydrogen 3.045 N/A ALA 653.A N HIS 649.A O no hydrogen 3.095 N/A VAL 654.A N GLN 650.A O no hydrogen 3.054 N/A LEU 655.A N GLY 651.A O no hydrogen 3.014 N/A ILE 657.A N VAL 654.A O no hydrogen 3.022 N/A ALA 658.A N VAL 654.A O no hydrogen 2.686 N/A MET 662.A N ALA 658.A O no hydrogen 3.327 N/A ALA 668.A N GLU 664.A O no hydrogen 3.366 N/A ALA 671.A N GLY 667.A O no hydrogen 3.359 N/A ARG 673.A N MET 670.A O no hydrogen 3.238 N/A PHE 675.A N LEU 672.A O no hydrogen 2.984 N/A GLY 676.A N LEU 672.A O no hydrogen 3.441 N/A HIS 677.A N THR 674.A O no hydrogen 2.778 N/A LEU 678.A N THR 674.A O no hydrogen 2.513 N/A ARG 687.A N GLU 683.A O no hydrogen 3.197 N/A ALA 689.A N THR 685.A O no hydrogen 3.214 N/A ALA 689.A N LEU 686.A O no hydrogen 3.249 N/A VAL 690.A N LEU 686.A O no hydrogen 3.269 N/A ALA 693.A N VAL 690.A O no hydrogen 2.932 N/A ALA 695.A N PRO 691.A O no hydrogen 2.997 N/A ASN 705.A N PRO 702.A O no hydrogen 2.807 N/A ASN 705.A ND2 GLU 669.A OE1 no hydrogen 2.886 N/A ILE 706.A N ASN 705.A OD1 no hydrogen 2.484 N/A LEU 707.A N ARG 703.A O no hydrogen 2.587 N/A ASP 708.A N LEU 704.A O no hydrogen 2.658 N/A THR 709.A N ASN 705.A O no hydrogen 3.236 N/A THR 709.A OG1 ILE 706.A O no hydrogen 2.253 N/A LEU 710.A N ILE 706.A O no hydrogen 2.901 N/A SER 711.A N LEU 707.A O no hydrogen 3.273 N/A SER 711.A N ASP 708.A O no hydrogen 3.075 N/A SER 711.A OG ASP 708.A O no hydrogen 2.454 N/A LYS 712.A N ASP 708.A O no hydrogen 3.468 N/A SER 714.A OG ALA 749.A O no hydrogen 3.410 N/A ASN 724.A N VAL 721.A O no hydrogen 3.357 N/A SER 725.A N SER 722.A O no hydrogen 2.997 N/A ILE 726.A N SER 722.A O no hydrogen 3.333 N/A PHE 727.A N TYR 723.A O no hydrogen 3.016 N/A MET 729.A N SER 725.A O no hydrogen 2.986 N/A GLY 730.A N ILE 726.A O no hydrogen 2.668 N/A MET 731.A N PHE 727.A O no hydrogen 2.951 N/A VAL 732.A N ALA 728.A O no hydrogen 3.444 N/A SER 734.A OG MET 731.A O no hydrogen 3.317 N/A THR 736.A OG1 VAL 732.A O no hydrogen 2.355 N/A ASN 738.A ND2 GLY 735.A O no hydrogen 3.134 N/A LEU 741.A N ASN 738.A O no hydrogen 3.318 N/A LEU 745.A N ALA 742.A O no hydrogen 2.807 N/A ARG 746.A N ALA 742.A O no hydrogen 2.980 N/A ARG 746.A NE ALA 742.A O no hydrogen 2.400 N/A ARG 746.A NH1 GLY 733.A O no hydrogen 2.842 N/A ARG 746.A NH1 ASN 737.A O no hydrogen 2.817 N/A ARG 746.A NH2 GLY 733.A O no hydrogen 2.806 N/A LEU 748.A N MET 744.A O no hydrogen 2.763 N/A ALA 749.A N LEU 745.A O no hydrogen 2.756 N/A GLN 750.A N ARG 746.A O no hydrogen 2.743 N/A TYR 751.A N GLN 747.A O no hydrogen 2.912 N/A ARG 763.A NH2 ARG 680.A O no hydrogen 3.102 N/A GLN 766.A N HIS 770.A O no hydrogen 2.867 N/A HIS 770.A N GLN 766.A O no hydrogen 3.185 N/A GLY 774.A N ASP 805.A OD2 no hydrogen 2.997 N/A THR 777.A N GLY 774.A O no hydrogen 3.381 N/A THR 777.A OG1 ASP 805.A OD2 no hydrogen 2.451 N/A CYS 779.A N THR 775.A O no hydrogen 3.255 N/A TYR 781.A N LEU 778.A O no hydrogen 2.657 N/A SER 783.A N CYS 779.A O no hydrogen 3.100 N/A SER 783.A OG ARG 556.A O no hydrogen 3.168 N/A ASP 784.A N TYR 781.A O no hydrogen 2.883 N/A ARG 785.A N TYR 781.A O no hydrogen 3.057 N/A ARG 785.A NE ASP 784.A OD2 no hydrogen 3.367 N/A ARG 785.A NH2 ASP 784.A OD2 no hydrogen 2.663 N/A ARG 785.A NH2 GLN 790.A O no hydrogen 3.197 N/A GLN 786.A N ASP 784.A O no hydrogen 2.729 N/A SER 789.A OG MET 788.A O no hydrogen 2.559 N/A LEU 797.A N ALA 794.A O no hydrogen 3.448 N/A THR 798.A N GLY 795.A O no hydrogen 2.842 N/A THR 798.A OG1 ASP 784.A OD1 no hydrogen 3.474 N/A VAL 799.A N GLY 795.A O no hydrogen 2.610 N/A SER 802.A OG THR 777.A O no hydrogen 3.311 N/A ARG 807.A N MET 761.A O no hydrogen 3.459 N/A ARG 807.A NH1 GLY 772.A O no hydrogen 3.355 N/A LYS 813.A NZ TYR 819.A OH no hydrogen 2.341 N/A SER 814.A OG LEU 821.A O no hydrogen 3.197 N/A TYR 819.A N TYR 816.A O no hydrogen 2.753 N/A GLN 826.A N THR 863.A O no hydrogen 2.513 N/A ARG 828.A NH1 THR 863.A OG1 no hydrogen 2.722 N/A ASP 834.A N GLU 836.A OE1 no hydrogen 3.209 N/A GLY 854.A N VAL 852.A O no hydrogen 2.434 N/A THR 863.A N GLN 826.A O no hydrogen 3.466 N/A HIS 868.A NE2 LEU 882.A O no hydrogen 2.886 N/A THR 869.A OG1 HIS 868.A O no hydrogen 2.562 N/A HIS 876.A ND1 ALA 875.A O no hydrogen 2.383 N/A