Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2hqg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 7.A N PRO 3.A O no hydrogen 2.879 N/A VAL 8.A N PHE 5.A O no hydrogen 3.217 N/A ILE 9.A N PHE 5.A O no hydrogen 3.140 N/A ALA 10.A N ALA 6.A O no hydrogen 3.343 N/A ILE 12.A N VAL 8.A O no hydrogen 3.060 N/A ILE 13.A N ILE 9.A O no hydrogen 3.015 N/A MET 14.A N ALA 10.A O no hydrogen 2.756 N/A LEU 15.A N ILE 11.A O no hydrogen 2.943 N/A ALA 16.A N ILE 12.A O no hydrogen 2.766 N/A GLY 17.A N ILE 13.A O no hydrogen 3.304 N/A GLY 18.A N MET 14.A O no hydrogen 2.874 N/A LEU 19.A N LEU 15.A O no hydrogen 2.748 N/A ILE 21.A N GLY 18.A O no hydrogen 3.271 N/A LEU 22.A N LEU 19.A O no hydrogen 3.361 N/A LEU 24.A N ILE 21.A O no hydrogen 3.147 N/A VAL 37.A N LEU 86.A O no hydrogen 3.168 N/A THR 38.A N GLU 124.A O no hydrogen 3.046 N/A THR 38.A OG1 SER 126.A OG no hydrogen 2.669 N/A ILE 39.A N ILE 84.A O no hydrogen 2.879 N/A SER 40.A N SER 122.A O no hydrogen 2.982 N/A ALA 41.A N VAL 82.A O no hydrogen 3.200 N/A TYR 43.A N GLY 80.A O no hydrogen 2.889 N/A ALA 46.A N TYR 43.A O no hydrogen 3.511 N/A THR 50.A N ASP 47.A OD2 no hydrogen 2.796 N/A VAL 51.A N ASP 47.A O no hydrogen 3.244 N/A GLN 52.A N ALA 48.A O no hydrogen 3.366 N/A ASP 53.A N LYS 49.A O no hydrogen 3.426 N/A THR 54.A N THR 50.A O no hydrogen 2.751 N/A VAL 55.A N VAL 51.A O no hydrogen 3.219 N/A THR 56.A N VAL 51.A O no hydrogen 2.885 N/A THR 56.A OG1 VAL 51.A O no hydrogen 2.838 N/A GLN 57.A N GLN 52.A O no hydrogen 2.734 N/A ILE 59.A N VAL 55.A O no hydrogen 3.026 N/A GLU 60.A N THR 56.A O no hydrogen 3.170 N/A GLN 61.A N GLN 57.A O no hydrogen 3.021 N/A ASN 62.A N ILE 59.A O no hydrogen 3.066 N/A ASN 62.A ND2 ASN 62.A O no hydrogen 2.638 N/A MET 63.A N GLU 60.A O no hydrogen 3.052 N/A LEU 69.A N GLU 89.A OE1 no hydrogen 3.009 N/A MET 70.A N THR 87.A O no hydrogen 2.732 N/A SER 74.A N ARG 798.A O no hydrogen 3.023 N/A SER 76.A OG ASN 75.A O no hydrogen 2.838 N/A SER 76.A OG LEU 796.A O no hydrogen 3.367 N/A ASP 77.A N THR 81.A O no hydrogen 2.679 N/A SER 78.A N ASP 77.A OD1 no hydrogen 2.758 N/A SER 78.A OG PRO 794.A O no hydrogen 3.247 N/A THR 79.A OG1 THR 81.A OG1 no hydrogen 2.967 N/A GLY 80.A N ASP 77.A O no hydrogen 3.270 N/A THR 81.A OG1 THR 79.A OG1 no hydrogen 2.967 N/A VAL 82.A N ALA 41.A O no hydrogen 3.037 N/A ILE 84.A N ILE 39.A O no hydrogen 2.912 N/A THR 85.A N SER 73.A O no hydrogen 3.095 N/A LEU 86.A N VAL 37.A O no hydrogen 2.823 N/A THR 87.A N TYR 71.A O no hydrogen 3.275 N/A THR 87.A OG1 THR 85.A O no hydrogen 3.539 N/A PHE 88.A N PRO 35.A O no hydrogen 2.809 N/A SER 90.A OG GLY 455.A O no hydrogen 3.104 N/A THR 92.A N GLU 89.A O no hydrogen 3.056 N/A THR 92.A OG1 GLU 89.A O no hydrogen 2.703 N/A ILE 96.A N ASP 93.A O no hydrogen 3.056 N/A ALA 97.A N ASP 93.A O no hydrogen 2.828 N/A GLN 100.A N ILE 96.A O no hydrogen 3.379 N/A GLN 100.A NE2 ASP 67.A OD2 no hydrogen 2.916 N/A GLN 102.A N GLN 98.A O no hydrogen 3.276 N/A GLN 102.A NE2 GLN 106.A OE1 no hydrogen 3.367 N/A ASN 103.A N VAL 99.A O no hydrogen 2.894 N/A LYS 104.A N GLN 100.A O no hydrogen 3.201 N/A LEU 105.A N VAL 101.A O no hydrogen 3.263 N/A GLN 106.A N GLN 102.A O no hydrogen 3.149 N/A LEU 107.A N LYS 104.A O no hydrogen 3.351 N/A ALA 108.A N LEU 105.A O no hydrogen 3.052 N/A LEU 111.A N ALA 108.A O no hydrogen 3.315 N/A LEU 112.A N MET 109.A O no hydrogen 3.383 N/A VAL 116.A N PRO 113.A O no hydrogen 2.960 N/A GLN 117.A N PRO 113.A O no hydrogen 3.246 N/A GLN 117.A NE2 MET 109.A O no hydrogen 2.764 N/A GLN 119.A N VAL 116.A O no hydrogen 3.258 N/A SER 122.A N SER 40.A O no hydrogen 3.084 N/A GLU 124.A N THR 38.A O no hydrogen 3.228 N/A LYS 125.A NZ ASP 95.A OD1 no hydrogen 3.304 N/A SER 126.A N ALA 36.A O no hydrogen 2.904 N/A SER 126.A N THR 289.A OG1 no hydrogen 2.882 N/A SER 126.A OG THR 38.A OG1 no hydrogen 2.669 N/A SER 127.A OG LEU 287.A O no hydrogen 2.662 N/A SER 128.A OG SER 127.A O no hydrogen 2.655 N/A SER 128.A OG GLU 653.A OE1 no hydrogen 2.820 N/A SER 129.A OG VAL 652.A O no hydrogen 3.169 N/A LEU 131.A N ILE 285.A O no hydrogen 2.983 N/A VAL 133.A N TYR 321.A O no hydrogen 2.825 N/A VAL 134.A N LEU 283.A O no hydrogen 3.399 N/A VAL 136.A N SER 281.A O no hydrogen 2.746 N/A ILE 137.A N LYS 316.A O no hydrogen 3.402 N/A ASN 138.A ND2 SER 313.A O no hydrogen 3.072 N/A THR 139.A N GLY 314.A O no hydrogen 3.067 N/A THR 139.A OG1 GLY 314.A O no hydrogen 3.531 N/A ASP 140.A N ASN 138.A OD1 no hydrogen 3.005 N/A THR 142.A OG1 ASP 140.A O no hydrogen 3.420 N/A ILE 148.A N THR 144.A O no hydrogen 2.661 N/A SER 149.A N GLN 145.A O no hydrogen 3.225 N/A SER 149.A OG GLN 145.A O no hydrogen 2.689 N/A SER 149.A OG PHE 172.A O no hydrogen 3.462 N/A TYR 151.A N ASP 147.A O no hydrogen 3.342 N/A VAL 152.A N ILE 148.A O no hydrogen 2.770 N/A ALA 153.A N ASP 150.A O no hydrogen 3.144 N/A ALA 154.A N ASP 150.A O no hydrogen 2.792 N/A ASN 155.A ND2 ASN 155.A O no hydrogen 2.921 N/A LYS 157.A N VAL 152.A O no hydrogen 2.884 N/A ALA 159.A N MET 156.A O no hydrogen 2.920 N/A ILE 160.A N MET 156.A O no hydrogen 3.411 N/A THR 163.A OG1 GLU 303.A OE1 no hydrogen 3.049 N/A GLY 165.A N THR 163.A O no hydrogen 2.875 N/A ASP 168.A N LYS 286.A O no hydrogen 3.215 N/A GLN 170.A N GLY 284.A O no hydrogen 2.841 N/A PHE 172.A N GLY 282.A O no hydrogen 3.008 N/A GLY 173.A N LEU 171.A O no hydrogen 2.975 N/A SER 174.A OG ASN 268.A OD1 no hydrogen 2.663 N/A TYR 176.A N ASP 150.A OD2 no hydrogen 2.789 N/A ALA 177.A N GLY 265.A O no hydrogen 2.685 N/A MET 178.A N LYS 750.A O no hydrogen 2.956 N/A ARG 179.A N GLU 263.A O no hydrogen 3.134 N/A ARG 179.A NE GLY 266.A O no hydrogen 2.985 N/A ILE 180.A N TYR 752.A O no hydrogen 2.868 N/A TRP 181.A N LYS 261.A O no hydrogen 2.698 N/A ASN 183.A ND2 GLU 756.A OE2 no hydrogen 3.412 N/A LEU 187.A N ASN 183.A O no hydrogen 2.788 N/A ASN 188.A N PRO 184.A O no hydrogen 2.754 N/A LYS 189.A N ASN 185.A O no hydrogen 2.764 N/A GLN 191.A N ASN 188.A O no hydrogen 3.390 N/A LEU 192.A N LEU 187.A O no hydrogen 2.699 N/A THR 193.A N ASP 196.A OD1 no hydrogen 3.195 N/A THR 193.A OG1 THR 729.A OG1 no hydrogen 3.104 N/A ASP 196.A N THR 193.A O no hydrogen 2.691 N/A VAL 197.A N THR 193.A O no hydrogen 3.373 N/A ILE 198.A N PRO 194.A O no hydrogen 3.029 N/A THR 199.A N VAL 195.A O no hydrogen 2.761 N/A THR 199.A OG1 VAL 195.A O no hydrogen 2.664 N/A ALA 200.A N ASP 196.A O no hydrogen 3.077 N/A ILE 201.A N VAL 197.A O no hydrogen 3.259 N/A ILE 201.A N ILE 198.A O no hydrogen 2.950 N/A LYS 202.A N ILE 198.A O no hydrogen 3.432 N/A GLN 204.A N ILE 201.A O no hydrogen 3.077 N/A GLN 204.A NE2 LEU 244.A O no hydrogen 2.724 N/A ASN 205.A N ILE 201.A O no hydrogen 2.579 N/A LEU 213.A N ALA 226.A O no hydrogen 2.791 N/A GLN 222.A NE2 LEU 224.A O no hydrogen 3.394 N/A GLN 223.A NE2 GLY 221.A O no hydrogen 2.781 N/A ASN 225.A ND2 LEU 213.A O no hydrogen 2.873 N/A ALA 226.A N LEU 213.A O no hydrogen 3.199 N/A ILE 228.A N GLY 211.A O no hydrogen 3.310 N/A LEU 234.A N ASN 205.A OD1 no hydrogen 2.874 N/A THR 235.A N GLU 239.A OE1 no hydrogen 2.821 N/A THR 235.A OG1 ILE 743.A O no hydrogen 3.419 N/A THR 237.A OG1 ILE 262.A O no hydrogen 3.218 N/A PHE 240.A N SER 236.A O no hydrogen 3.405 N/A GLY 241.A N THR 237.A O no hydrogen 3.239 N/A LYS 242.A N GLU 238.A O no hydrogen 3.154 N/A ILE 243.A N PHE 240.A O no hydrogen 3.425 N/A LEU 244.A N GLN 204.A OE1 no hydrogen 3.213 N/A LEU 245.A N VAL 254.A O no hydrogen 3.255 N/A GLY 251.A N ASN 248.A O no hydrogen 3.256 N/A VAL 254.A N LYS 246.A O no hydrogen 3.448 N/A LEU 256.A N ILE 243.A O no hydrogen 3.076 N/A ARG 257.A N GLY 241.A O no hydrogen 3.028 N/A ASP 258.A N LEU 255.A O no hydrogen 3.016 N/A VAL 259.A N LEU 255.A O no hydrogen 3.061 N/A ALA 260.A N LEU 256.A O no hydrogen 2.830 N/A LYS 261.A N TRP 181.A O no hydrogen 2.768 N/A GLU 263.A N ARG 179.A O no hydrogen 3.135 N/A GLY 265.A N ALA 177.A O no hydrogen 3.283 N/A GLU 267.A N GLN 175.A O no hydrogen 3.323 N/A ASN 268.A ND2 ASP 270.A OD2 no hydrogen 3.384 N/A ILE 272.A N ASN 593.A O no hydrogen 3.029 N/A GLU 274.A N ALA 591.A O no hydrogen 2.735 N/A PHE 275.A N GLN 278.A O no hydrogen 2.743 N/A ASN 276.A N VAL 589.A O no hydrogen 2.931 N/A GLN 278.A N PHE 275.A O no hydrogen 3.040 N/A ALA 280.A N ALA 273.A O no hydrogen 3.327 N/A LEU 283.A N VAL 134.A O no hydrogen 3.002 N/A GLY 284.A N GLN 170.A O no hydrogen 3.257 N/A ILE 285.A N MET 132.A O no hydrogen 2.875 N/A LYS 286.A N ASP 168.A O no hydrogen 3.294 N/A THR 289.A OG1 ALA 36.A O no hydrogen 3.129 N/A THR 289.A OG1 SER 126.A O no hydrogen 2.705 N/A ASP 295.A N ASN 292.A O no hydrogen 3.206 N/A THR 296.A OG1 SER 164.A O no hydrogen 3.104 N/A ALA 297.A N ALA 293.A O no hydrogen 2.883 N/A ALA 298.A N LEU 294.A O no hydrogen 2.972 N/A ALA 299.A N THR 296.A O no hydrogen 3.190 N/A ILE 300.A N THR 296.A O no hydrogen 2.835 N/A ARG 301.A NH1 TYR 319.A OH no hydrogen 3.290 N/A GLU 303.A N ALA 299.A O no hydrogen 2.776 N/A LEU 304.A N ILE 300.A O no hydrogen 3.333 N/A PHE 311.A N GLU 308.A O no hydrogen 3.391 N/A LEU 315.A N PRO 312.A O no hydrogen 3.142 N/A LYS 316.A N ILE 137.A O no hydrogen 3.322 N/A VAL 318.A N GLY 135.A O no hydrogen 2.993 N/A THR 323.A OG1 LEU 131.A O no hydrogen 3.083 N/A THR 324.A N ASP 322.A OD1 no hydrogen 3.231 N/A THR 324.A OG1 ASP 322.A OD1 no hydrogen 3.139 N/A VAL 327.A N THR 323.A O no hydrogen 3.328 N/A LYS 328.A N THR 324.A O no hydrogen 2.979 N/A ILE 329.A N PHE 326.A O no hydrogen 3.175 N/A SER 330.A N PHE 326.A O no hydrogen 3.036 N/A SER 330.A OG PHE 326.A O no hydrogen 3.239 N/A GLU 333.A N ILE 329.A O no hydrogen 2.858 N/A VAL 335.A N ILE 331.A O no hydrogen 2.770 N/A THR 337.A N GLU 333.A O no hydrogen 3.134 N/A THR 337.A OG1 GLU 333.A O no hydrogen 2.716 N/A LEU 338.A N VAL 334.A O no hydrogen 2.684 N/A VAL 339.A N VAL 335.A O no hydrogen 2.733 N/A GLU 340.A N LYS 336.A O no hydrogen 3.212 N/A ALA 341.A N THR 337.A O no hydrogen 3.055 N/A ILE 342.A N VAL 339.A O no hydrogen 2.979 N/A ILE 343.A N VAL 339.A O no hydrogen 3.159 N/A LEU 344.A N GLU 340.A O no hydrogen 2.886 N/A PHE 346.A N ILE 342.A O no hydrogen 2.929 N/A LEU 347.A N ILE 343.A O no hydrogen 3.030 N/A VAL 348.A N LEU 344.A O no hydrogen 3.436 N/A TYR 350.A N LEU 347.A O no hydrogen 3.047 N/A LEU 351.A N LEU 347.A O no hydrogen 3.154 N/A ALA 358.A N ASN 355.A O no hydrogen 3.022 N/A THR 359.A N ASN 355.A O no hydrogen 3.225 N/A THR 359.A OG1 PHE 356.A O no hydrogen 3.090 N/A LEU 360.A N PHE 356.A O no hydrogen 3.131 N/A THR 363.A N LEU 360.A O no hydrogen 2.939 N/A THR 363.A OG1 THR 359.A O no hydrogen 2.712 N/A THR 363.A OG1 LEU 360.A O no hydrogen 2.734 N/A ILE 364.A N LEU 360.A O no hydrogen 2.672 N/A ILE 364.A N ILE 361.A O no hydrogen 3.248 N/A ALA 365.A N ILE 361.A O no hydrogen 3.189 N/A LEU 370.A N VAL 366.A O no hydrogen 3.416 N/A LEU 371.A N PRO 367.A O no hydrogen 2.639 N/A GLY 372.A N VAL 368.A O no hydrogen 2.889 N/A THR 373.A N VAL 369.A O no hydrogen 2.951 N/A THR 373.A N LEU 370.A O no hydrogen 3.304 N/A THR 373.A OG1 VAL 369.A O no hydrogen 2.451 N/A THR 373.A OG1 SER 470.A O no hydrogen 3.329 N/A PHE 374.A N LEU 371.A O no hydrogen 2.846 N/A ALA 375.A N LEU 371.A O no hydrogen 3.340 N/A VAL 376.A N GLY 372.A O no hydrogen 3.171 N/A LEU 377.A N PHE 374.A O no hydrogen 3.352 N/A ALA 378.A N ALA 375.A O no hydrogen 3.154 N/A PHE 382.A N ALA 379.A O no hydrogen 3.359 N/A THR 386.A OG1 ALA 27.A O no hydrogen 2.292 N/A THR 386.A OG1 GLN 28.A O no hydrogen 3.131 N/A THR 388.A OG1 ASN 385.A O no hydrogen 2.823 N/A GLY 391.A N LEU 387.A O no hydrogen 2.618 N/A MET 392.A N THR 388.A O no hydrogen 3.110 N/A VAL 393.A N PHE 390.A O no hydrogen 3.086 N/A ALA 395.A N MET 392.A O no hydrogen 3.135 N/A ILE 396.A N VAL 393.A O no hydrogen 3.181 N/A VAL 400.A N GLY 397.A O no hydrogen 2.534 N/A ASP 401.A N GLY 397.A O no hydrogen 3.413 N/A ASP 402.A N LEU 398.A O no hydrogen 3.145 N/A ALA 403.A N LEU 399.A O no hydrogen 3.197 N/A ILE 404.A N VAL 400.A O no hydrogen 2.733 N/A VAL 405.A N ASP 401.A O no hydrogen 3.409 N/A VAL 407.A N ALA 403.A O no hydrogen 3.217 N/A GLU 408.A N ILE 404.A O no hydrogen 2.782 N/A ASN 409.A N VAL 405.A O no hydrogen 2.865 N/A GLU 411.A N VAL 407.A O no hydrogen 3.475 N/A ARG 412.A NE GLU 416.A OE1 no hydrogen 3.314 N/A ARG 412.A NH1 GLU 408.A OE2 no hydrogen 2.470 N/A VAL 413.A N ASN 409.A O no hydrogen 3.064 N/A MET 414.A N VAL 410.A O no hydrogen 3.053 N/A GLU 416.A N ARG 412.A O no hydrogen 3.028 N/A GLU 417.A N VAL 413.A O no hydrogen 3.075 N/A LYS 422.A NZ ASP 1.A O no hydrogen 2.918 N/A GLU 423.A N GLU 423.A OE2 no hydrogen 2.755 N/A ALA 424.A N PRO 421.A O no hydrogen 3.304 N/A ARG 426.A N LYS 422.A O no hydrogen 2.931 N/A SER 428.A N THR 425.A O no hydrogen 2.653 N/A SER 428.A OG ASN 409.A OD1 no hydrogen 3.382 N/A SER 428.A OG ALA 424.A O no hydrogen 3.391 N/A SER 428.A OG THR 425.A O no hydrogen 3.095 N/A GLY 430.A N LYS 427.A O no hydrogen 3.281 N/A GLN 431.A N SER 428.A O no hydrogen 2.883 N/A ILE 432.A N SER 428.A O no hydrogen 3.165 N/A VAL 437.A N GLN 433.A O no hydrogen 3.413 N/A ALA 440.A N VAL 437.A O no hydrogen 3.199 N/A MET 441.A N VAL 437.A O no hydrogen 3.373 N/A VAL 442.A N GLY 438.A O no hydrogen 3.400 N/A LEU 443.A N ILE 439.A O no hydrogen 2.802 N/A SER 444.A N ALA 440.A O no hydrogen 2.858 N/A MET 450.A N VAL 448.A O no hydrogen 2.614 N/A ALA 451.A N VAL 448.A O no hydrogen 2.798 N/A PHE 453.A N MET 450.A O no hydrogen 3.457 N/A ILE 460.A N THR 457.A O no hydrogen 3.159 N/A SER 465.A OG PHE 447.A O no hydrogen 3.178 N/A SER 465.A OG TYR 461.A O no hydrogen 2.944 N/A SER 470.A N ILE 466.A O no hydrogen 2.174 N/A SER 470.A OG ILE 466.A O no hydrogen 3.252 N/A ALA 473.A N VAL 469.A O no hydrogen 2.530 N/A SER 475.A N ALA 471.A O no hydrogen 2.854 N/A SER 475.A OG LEU 399.A O no hydrogen 3.176 N/A VAL 476.A N MET 472.A O no hydrogen 2.777 N/A LEU 477.A N LEU 474.A O no hydrogen 3.290 N/A VAL 478.A N LEU 474.A O no hydrogen 2.755 N/A ALA 479.A N SER 475.A O no hydrogen 2.539 N/A ILE 481.A N LEU 477.A O no hydrogen 2.884 N/A LEU 482.A N VAL 478.A O no hydrogen 2.747 N/A THR 483.A N VAL 478.A O no hydrogen 3.248 N/A ALA 485.A N LEU 482.A O no hydrogen 2.688 N/A LEU 486.A N LEU 482.A O no hydrogen 3.126 N/A CYS 487.A N THR 483.A O no hydrogen 2.804 N/A CYS 487.A SG VAL 406.A O no hydrogen 3.748 N/A CYS 487.A SG THR 483.A O no hydrogen 3.256 N/A ALA 488.A N ALA 485.A O no hydrogen 3.205 N/A THR 489.A N ALA 485.A O no hydrogen 3.281 N/A THR 489.A OG1 LEU 486.A O no hydrogen 3.018 N/A ARG 498.A N TRP 495.A O no hydrogen 3.371 N/A ARG 498.A NH2 GLY 494.A O no hydrogen 2.908 N/A PHE 500.A N PHE 496.A O no hydrogen 3.404 N/A SER 503.A N MET 499.A O no hydrogen 2.862 N/A SER 503.A OG MET 499.A O no hydrogen 2.849 N/A THR 504.A N PHE 500.A O no hydrogen 3.325 N/A THR 504.A OG1 PHE 500.A O no hydrogen 3.269 N/A HIS 506.A N THR 504.A O no hydrogen 2.472 N/A TYR 507.A OH ILE 999.A O no hydrogen 2.524 N/A THR 508.A N SER 503.A O no hydrogen 2.794 N/A THR 508.A OG1 SER 503.A O no hydrogen 2.665 N/A VAL 511.A N TYR 507.A O no hydrogen 2.666 N/A GLY 512.A N THR 508.A O no hydrogen 3.237 N/A GLY 513.A N ASP 509.A O no hydrogen 3.231 N/A SER 517.A N ILE 514.A O no hydrogen 3.245 N/A SER 517.A OG ILE 514.A O no hydrogen 2.826 N/A THR 518.A N ILE 514.A O no hydrogen 2.612 N/A THR 518.A OG1 LEU 515.A O no hydrogen 3.134 N/A GLY 519.A N SER 517.A O no hydrogen 2.704 N/A TYR 521.A N THR 518.A O no hydrogen 2.852 N/A LEU 522.A N GLY 519.A O no hydrogen 3.151 N/A TYR 525.A OH LEU 883.A O no hydrogen 3.261 N/A ILE 527.A N VAL 523.A O no hydrogen 2.703 N/A ILE 528.A N LEU 524.A O no hydrogen 3.197 N/A VAL 529.A N TYR 525.A O no hydrogen 2.801 N/A VAL 530.A N LEU 526.A O no hydrogen 3.011 N/A MET 532.A N ILE 528.A O no hydrogen 2.809 N/A ALA 533.A N VAL 529.A O no hydrogen 3.136 N/A TYR 534.A N VAL 530.A O no hydrogen 3.312 N/A LEU 535.A N GLY 531.A O no hydrogen 3.472 N/A ARG 538.A N TYR 534.A O no hydrogen 3.221 N/A GLY 550.A N ASP 548.A OD1 no hydrogen 3.008 N/A PHE 552.A N VAL 609.A O no hydrogen 3.173 N/A THR 554.A N ALA 607.A O no hydrogen 3.080 N/A VAL 556.A N GLY 605.A O no hydrogen 2.650 N/A GLN 557.A N MET 642.A O no hydrogen 2.749 N/A GLN 557.A NE2 LEU 558.A O no hydrogen 2.832 N/A LEU 558.A N ASN 603.A O no hydrogen 2.898 N/A GLN 564.A NE2 TYR 269.A O no hydrogen 3.252 N/A THR 567.A N THR 563.A O no hydrogen 3.100 N/A THR 567.A OG1 THR 563.A O no hydrogen 3.475 N/A THR 567.A OG1 GLN 564.A O no hydrogen 2.767 N/A THR 567.A OG1 ASN 593.A OD1 no hydrogen 2.937 N/A GLN 568.A N GLN 564.A O no hydrogen 3.116 N/A GLN 568.A NE2 GLU 274.A OE2 no hydrogen 3.019 N/A LYS 569.A N GLU 565.A O no hydrogen 3.357 N/A LYS 569.A NZ GLU 573.A OE2 no hydrogen 3.281 N/A VAL 570.A N THR 567.A O no hydrogen 3.163 N/A LEU 571.A N THR 567.A O no hydrogen 2.972 N/A ASN 572.A N GLN 568.A O no hydrogen 2.918 N/A VAL 574.A N VAL 570.A O no hydrogen 2.917 N/A THR 575.A N LEU 571.A O no hydrogen 2.835 N/A THR 575.A OG1 LEU 571.A O no hydrogen 2.623 N/A HIS 576.A N ASN 572.A O no hydrogen 3.072 N/A TYR 577.A N GLU 573.A O no hydrogen 3.383 N/A TYR 577.A OH GLU 582.A OE1 no hydrogen 3.421 N/A LEU 579.A N HIS 576.A O no hydrogen 3.158 N/A THR 580.A N HIS 576.A O no hydrogen 2.720 N/A THR 580.A OG1 HIS 576.A O no hydrogen 2.745 N/A LYS 581.A N TYR 577.A O no hydrogen 3.200 N/A ASN 585.A ND2 ASN 622.A OD1 no hydrogen 3.630 N/A VAL 586.A N GLU 582.A O no hydrogen 3.285 N/A GLU 587.A N SER 610.A O no hydrogen 2.637 N/A SER 588.A N SER 610.A O no hydrogen 3.349 N/A VAL 589.A N ASN 276.A OD1 no hydrogen 2.988 N/A PHE 590.A N PHE 608.A O no hydrogen 2.778 N/A ALA 591.A N GLU 274.A O no hydrogen 3.072 N/A VAL 592.A N ILE 606.A O no hydrogen 2.736 N/A ASN 593.A N ILE 272.A O no hydrogen 2.657 N/A ASN 593.A ND2 THR 567.A OG1 no hydrogen 2.775 N/A GLY 599.A N GLY 596.A O no hydrogen 3.359 N/A GLY 601.A N GLY 594.A O no hydrogen 3.268 N/A ASN 603.A ND2 PRO 559.A O no hydrogen 2.764 N/A THR 604.A N GLY 601.A O no hydrogen 3.349 N/A THR 604.A OG1 GLY 601.A O no hydrogen 3.199 N/A ILE 606.A N VAL 592.A O no hydrogen 3.154 N/A ALA 607.A N THR 554.A O no hydrogen 3.362 N/A PHE 608.A N PHE 590.A O no hydrogen 3.206 N/A VAL 609.A N PHE 552.A O no hydrogen 2.841 N/A SER 610.A N SER 588.A O no hydrogen 2.837 N/A LEU 611.A N GLY 550.A O no hydrogen 3.123 N/A LYS 612.A N ASN 585.A O no hydrogen 2.844 N/A ARG 617.A NH2 ASP 548.A OD1 no hydrogen 3.273 N/A ASN 622.A N GLY 619.A O no hydrogen 3.076 N/A VAL 624.A N ASP 548.A OD2 no hydrogen 2.871 N/A ALA 626.A N LYS 623.A O no hydrogen 3.013 N/A ILE 627.A N LYS 623.A O no hydrogen 3.247 N/A THR 628.A N VAL 624.A O no hydrogen 2.964 N/A THR 628.A OG1 VAL 624.A O no hydrogen 2.811 N/A THR 628.A OG1 GLU 625.A O no hydrogen 3.384 N/A ARG 630.A N ALA 626.A O no hydrogen 3.187 N/A ARG 630.A NE ALA 626.A O no hydrogen 3.171 N/A ALA 631.A N ILE 627.A O no hydrogen 2.861 N/A THR 632.A N THR 628.A O no hydrogen 2.604 N/A THR 632.A OG1 THR 628.A O no hydrogen 2.960 N/A THR 632.A OG1 MET 629.A O no hydrogen 2.669 N/A ARG 633.A N MET 629.A O no hydrogen 3.150 N/A ALA 634.A N ARG 630.A O no hydrogen 2.721 N/A PHE 635.A N ALA 631.A O no hydrogen 3.223 N/A SER 636.A N THR 632.A O no hydrogen 3.057 N/A GLN 637.A N ARG 633.A O no hydrogen 2.604 N/A MET 642.A N GLN 557.A O no hydrogen 3.012 N/A PHE 644.A N MET 555.A O no hydrogen 3.133 N/A PHE 646.A N MET 553.A O no hydrogen 3.051 N/A ASN 647.A ND2 GLU 547.A O no hydrogen 3.182 N/A ALA 657.A N THR 656.A OG1 no hydrogen 2.755 N/A PHE 660.A N GLY 809.A O no hydrogen 2.959 N/A GLU 663.A N ASP 838.A O no hydrogen 3.015 N/A LEU 664.A N MET 805.A O no hydrogen 3.151 N/A ILE 665.A N GLY 836.A O no hydrogen 3.025 N/A ASP 666.A N PRO 803.A O no hydrogen 2.679 N/A GLN 667.A N GLY 834.A O no hydrogen 2.898 N/A LEU 670.A N ASP 666.A OD1 no hydrogen 2.822 N/A LEU 675.A N GLY 671.A O no hydrogen 3.067 N/A THR 676.A N HIS 672.A O no hydrogen 3.042 N/A THR 676.A OG1 HIS 672.A O no hydrogen 2.790 N/A THR 676.A OG1 GLU 673.A O no hydrogen 2.930 N/A ALA 678.A N LYS 674.A O no hydrogen 3.254 N/A ARG 679.A N LEU 675.A O no hydrogen 2.813 N/A ASN 680.A N THR 676.A O no hydrogen 2.753 N/A GLN 681.A N GLN 677.A O no hydrogen 2.797 N/A LEU 682.A N ALA 678.A O no hydrogen 3.197 N/A LEU 683.A N ARG 679.A O no hydrogen 3.255 N/A ALA 684.A N ASN 680.A O no hydrogen 2.950 N/A GLU 685.A N GLN 681.A O no hydrogen 2.824 N/A ALA 686.A N LEU 682.A O no hydrogen 2.950 N/A ALA 687.A N LEU 683.A O no hydrogen 2.860 N/A LYS 688.A NZ ALA 684.A O no hydrogen 3.326 N/A HIS 689.A N ALA 686.A O no hydrogen 3.063 N/A ARG 697.A N LEU 808.A O no hydrogen 3.149 N/A GLN 706.A N GLU 790.A O no hydrogen 2.550 N/A LYS 708.A N ARG 788.A O no hydrogen 2.928 N/A ASP 710.A N SER 786.A O no hydrogen 2.807 N/A ASP 712.A N PHE 784.A O no hydrogen 2.771 N/A LYS 715.A N ASP 712.A OD1 no hydrogen 3.185 N/A ALA 716.A N ASP 712.A O no hydrogen 3.092 N/A GLN 717.A N GLN 713.A O no hydrogen 3.506 N/A LEU 719.A N LYS 715.A O no hydrogen 3.252 N/A GLY 720.A N ALA 716.A O no hydrogen 3.256 N/A VAL 721.A N ALA 716.A O no hydrogen 3.151 N/A ASP 725.A N SER 722.A O no hydrogen 3.203 N/A ILE 726.A N SER 722.A O no hydrogen 3.231 N/A ASN 727.A N ILE 723.A O no hydrogen 3.261 N/A THR 728.A OG1 ASN 724.A O no hydrogen 2.648 N/A THR 729.A N ASP 725.A O no hydrogen 3.175 N/A THR 729.A OG1 THR 193.A OG1 no hydrogen 3.104 N/A THR 729.A OG1 ASP 725.A O no hydrogen 2.596 N/A LEU 730.A N ILE 726.A O no hydrogen 2.856 N/A GLY 731.A N ASN 727.A O no hydrogen 2.884 N/A ALA 732.A N THR 728.A O no hydrogen 2.784 N/A GLY 735.A N GLY 731.A O no hydrogen 2.983 N/A GLY 736.A N GLY 731.A O no hydrogen 3.007 N/A SER 737.A N VAL 753.A O no hydrogen 3.016 N/A TYR 738.A OH ASP 741.A OD2 no hydrogen 3.015 N/A VAL 739.A N VAL 751.A O no hydrogen 3.199 N/A PHE 742.A N LYS 749.A O no hydrogen 2.690 N/A ASP 744.A N ARG 747.A O no hydrogen 2.745 N/A ARG 747.A NH1 ASP 158.A OD1 no hydrogen 3.125 N/A LYS 749.A N PHE 742.A O no hydrogen 2.749 N/A LYS 749.A NZ ASP 150.A OD1 no hydrogen 3.349 N/A LYS 749.A NZ ASP 150.A OD2 no hydrogen 2.805 N/A LYS 749.A NZ ASP 744.A OD2 no hydrogen 2.814 N/A LYS 750.A NZ GLU 267.A OE1 no hydrogen 3.233 N/A VAL 751.A N ASN 740.A O no hydrogen 2.953 N/A TYR 752.A N MET 178.A O no hydrogen 3.222 N/A TYR 752.A OH GLN 119.A OE1 no hydrogen 2.634 N/A VAL 753.A N SER 737.A O no hydrogen 3.295 N/A MET 754.A N ILE 180.A O no hydrogen 3.212 N/A SER 755.A OG ALA 733.A O no hydrogen 2.737 N/A SER 755.A OG MET 754.A O no hydrogen 2.515 N/A GLU 756.A N MET 182.A O no hydrogen 3.066 N/A TYR 759.A N GLU 756.A O no hydrogen 3.388 N/A ARG 760.A N ALA 757.A O no hydrogen 3.090 N/A ARG 760.A NE SER 755.A O no hydrogen 3.158 N/A ARG 760.A NH2 SER 755.A O no hydrogen 3.566 N/A LEU 762.A N ASP 765.A OD2 no hydrogen 2.805 N/A ASP 765.A N LEU 762.A O no hydrogen 3.158 N/A ILE 766.A N PRO 763.A O no hydrogen 3.439 N/A ASP 768.A N ASP 765.A O no hydrogen 3.293 N/A TRP 769.A N ILE 766.A O no hydrogen 3.219 N/A VAL 771.A N VAL 779.A O no hydrogen 2.835 N/A ARG 772.A NH2 ASP 196.A OD1 no hydrogen 3.018 N/A ALA 773.A N GLN 777.A O no hydrogen 3.049 N/A ALA 774.A N GLY 720.A O no hydrogen 2.855 N/A ASP 775.A N ASP 775.A OD2 no hydrogen 2.520 N/A GLY 776.A N ALA 773.A O no hydrogen 2.977 N/A VAL 779.A N VAL 771.A O no hydrogen 2.858 N/A PHE 784.A N PHE 781.A O no hydrogen 2.845 N/A SER 785.A N PHE 781.A O no hydrogen 2.716 N/A SER 785.A OG PHE 781.A O no hydrogen 2.707 N/A SER 786.A N ASP 710.A O no hydrogen 2.656 N/A ARG 788.A N LYS 708.A O no hydrogen 3.274 N/A GLU 790.A N GLN 706.A O no hydrogen 2.873 N/A GLY 792.A N THR 704.A O no hydrogen 3.165 N/A ARG 795.A N SER 793.A OG no hydrogen 3.399 N/A ARG 795.A NH2 ASN 75.A OD1 no hydrogen 3.348 N/A ARG 798.A NH1 GLU 60.A OE1 no hydrogen 2.746 N/A TYR 799.A N LEU 802.A O no hydrogen 2.794 N/A TYR 799.A OH ASP 838.A OD2 no hydrogen 2.976 N/A ASN 800.A N MET 72.A O no hydrogen 2.989 N/A ASN 800.A ND2 MET 72.A O no hydrogen 3.310 N/A LEU 802.A N TYR 799.A O no hydrogen 3.356 N/A SER 804.A N GLU 797.A O no hydrogen 2.782 N/A SER 804.A OG GLU 663.A OE2 no hydrogen 2.808 N/A SER 804.A OG LEU 664.A O no hydrogen 2.592 N/A MET 805.A N LEU 664.A O no hydrogen 2.838 N/A ILE 807.A N PHE 662.A O no hydrogen 2.711 N/A LEU 808.A N ARG 697.A O no hydrogen 3.301 N/A GLY 809.A N PHE 660.A O no hydrogen 2.853 N/A ALA 811.A N THR 658.A O no hydrogen 3.095 N/A LYS 815.A NZ MET 692.A O no hydrogen 3.029 N/A LYS 815.A NZ LEU 693.A O no hydrogen 3.495 N/A SER 816.A N GLU 819.A OE1 no hydrogen 3.115 N/A THR 817.A OG1 ALA 657.A O no hydrogen 3.520 N/A GLY 818.A N SER 816.A O no hydrogen 2.537 N/A GLU 819.A N GLU 819.A OE1 no hydrogen 2.799 N/A MET 821.A N THR 817.A O no hydrogen 2.766 N/A GLU 822.A N GLY 818.A O no hydrogen 3.405 N/A LEU 823.A N GLU 819.A O no hydrogen 2.806 N/A MET 824.A N ALA 820.A O no hydrogen 3.343 N/A GLU 825.A N MET 821.A O no hydrogen 2.779 N/A GLN 826.A N LEU 823.A O no hydrogen 3.367 N/A LEU 827.A N LEU 823.A O no hydrogen 2.967 N/A LYS 830.A N GLN 826.A O no hydrogen 3.276 N/A GLY 836.A N ILE 665.A O no hydrogen 3.091 N/A ASP 838.A N GLU 663.A O no hydrogen 2.897 N/A GLN 852.A N SER 849.A O no hydrogen 3.219 N/A GLN 852.A NE2 GLN 852.A O no hydrogen 3.032 N/A ALA 853.A N SER 849.A O no hydrogen 2.744 N/A SER 855.A N GLN 852.A O no hydrogen 3.287 N/A LEU 856.A N ALA 853.A O no hydrogen 3.108 N/A TYR 857.A N ALA 853.A O no hydrogen 3.311 N/A SER 860.A OG VAL 446.A O no hydrogen 3.307 N/A SER 860.A OG LEU 856.A O no hydrogen 2.754 N/A LEU 861.A N ALA 858.A O no hydrogen 3.256 N/A ILE 862.A N ALA 858.A O no hydrogen 3.284 N/A PHE 865.A N LEU 861.A O no hydrogen 3.228 N/A CYS 867.A N VAL 863.A O no hydrogen 3.116 N/A CYS 867.A SG VAL 863.A O no hydrogen 3.359 N/A LEU 868.A N VAL 864.A O no hydrogen 2.916 N/A TYR 872.A N ALA 869.A O no hydrogen 3.132 N/A TYR 872.A OH ILE 923.A O no hydrogen 2.683 N/A GLU 873.A N ALA 869.A O no hydrogen 2.744 N/A PHE 879.A N SER 876.A O no hydrogen 3.096 N/A SER 880.A N ILE 877.A O no hydrogen 2.575 N/A SER 880.A OG SER 876.A O no hydrogen 3.257 N/A SER 880.A OG VAL 1007.A O no hydrogen 2.551 N/A VAL 884.A N VAL 881.A O no hydrogen 2.961 N/A GLY 888.A N VAL 885.A O no hydrogen 3.192 N/A VAL 889.A N VAL 885.A O no hydrogen 3.201 N/A ILE 890.A N PRO 886.A O no hydrogen 3.173 N/A LEU 893.A N VAL 889.A O no hydrogen 2.972 N/A LEU 894.A N ILE 890.A O no hydrogen 2.840 N/A ALA 895.A N GLY 891.A O no hydrogen 2.819 N/A ALA 896.A N ALA 892.A O no hydrogen 3.012 N/A THR 897.A N LEU 893.A O no hydrogen 2.923 N/A THR 897.A OG1 LEU 893.A O no hydrogen 2.687 N/A PHE 898.A N LEU 894.A O no hydrogen 2.936 N/A THR 902.A OG1 PRO 540.A O no hydrogen 2.695 N/A THR 902.A OG1 SER 541.A O no hydrogen 2.520 N/A ASN 903.A N PRO 540.A O no hydrogen 3.269 N/A ASP 904.A N THR 902.A O no hydrogen 2.751 N/A VAL 905.A N PHE 543.A O no hydrogen 3.186 N/A PHE 907.A N ASP 904.A OD2 no hydrogen 2.943 N/A GLN 908.A N ASP 904.A O no hydrogen 2.810 N/A GLN 908.A NE2 ASN 903.A OD1 no hydrogen 3.405 N/A VAL 909.A N VAL 905.A O no hydrogen 2.880 N/A GLY 910.A N TYR 906.A O no hydrogen 3.055 N/A LEU 911.A N PHE 907.A O no hydrogen 2.737 N/A LEU 912.A N VAL 909.A O no hydrogen 3.042 N/A THR 913.A N VAL 909.A O no hydrogen 2.793 N/A THR 913.A OG1 VAL 909.A O no hydrogen 3.199 N/A THR 913.A OG1 GLY 910.A O no hydrogen 2.946 N/A THR 914.A N GLY 910.A O no hydrogen 3.314 N/A THR 914.A OG1 GLY 910.A O no hydrogen 2.664 N/A LEU 917.A N THR 913.A O no hydrogen 3.219 N/A LYS 920.A N GLY 916.A O no hydrogen 2.882 N/A ALA 922.A N SER 918.A O no hydrogen 3.453 N/A ILE 923.A N ALA 919.A O no hydrogen 2.583 N/A ILE 925.A N ASN 921.A O no hydrogen 3.070 N/A VAL 926.A N ALA 922.A O no hydrogen 2.866 N/A PHE 928.A N LEU 924.A O no hydrogen 2.973 N/A ALA 929.A N ILE 925.A O no hydrogen 2.842 N/A LYS 930.A N VAL 926.A O no hydrogen 2.752 N/A ASP 931.A N GLU 927.A O no hydrogen 2.805 N/A LEU 932.A N PHE 928.A O no hydrogen 2.988 N/A MET 933.A N ALA 929.A O no hydrogen 2.992 N/A GLU 936.A N MET 933.A O no hydrogen 2.903 N/A LYS 938.A N GLU 936.A O no hydrogen 3.006 N/A THR 944.A OG1 LEU 940.A O no hydrogen 3.213 N/A ALA 947.A N ALA 943.A O no hydrogen 3.038 N/A VAL 948.A N THR 944.A O no hydrogen 2.819 N/A ARG 949.A NE ARG 949.A O no hydrogen 2.696 N/A MET 950.A N ALA 947.A O no hydrogen 3.463 N/A ARG 953.A NE PHE 352.A O no hydrogen 3.234 N/A ILE 955.A N ARG 951.A O no hydrogen 3.268 N/A LEU 956.A N ARG 953.A O no hydrogen 3.351 N/A MET 957.A N ARG 953.A O no hydrogen 2.898 N/A ALA 958.A N PRO 954.A O no hydrogen 2.812 N/A SER 959.A OG THR 995.A OG1 no hydrogen 2.623 N/A ALA 961.A N MET 957.A O no hydrogen 2.944 N/A ILE 963.A N SER 959.A O no hydrogen 3.242 N/A LEU 964.A N LEU 960.A O no hydrogen 3.163 N/A GLY 965.A N ALA 961.A O no hydrogen 3.001 N/A VAL 966.A N PHE 962.A O no hydrogen 3.120 N/A VAL 966.A N ILE 963.A O no hydrogen 3.349 N/A MET 967.A N LEU 964.A O no hydrogen 3.304 N/A LEU 969.A N VAL 966.A O no hydrogen 2.880 N/A VAL 970.A N VAL 966.A O no hydrogen 3.277 N/A THR 973.A N ILE 971.A O no hydrogen 2.434 N/A THR 973.A OG1 GLU 333.A OE1 no hydrogen 3.409 N/A GLY 978.A N GLU 547.A OE1 no hydrogen 2.717 N/A GLY 978.A N GLU 547.A OE2 no hydrogen 3.214 N/A GLN 980.A NE2 SER 977.A OG no hydrogen 2.840 N/A ALA 982.A N GLY 978.A O no hydrogen 3.221 N/A VAL 983.A N ALA 979.A O no hydrogen 2.977 N/A GLY 984.A N GLN 980.A O no hydrogen 2.826 N/A THR 985.A N ASN 981.A O no hydrogen 2.864 N/A THR 985.A OG1 ASN 981.A O no hydrogen 2.816 N/A VAL 987.A N GLY 984.A O no hydrogen 3.233 N/A MET 988.A N GLY 984.A O no hydrogen 3.295 N/A GLY 989.A N THR 985.A O no hydrogen 3.369 N/A MET 991.A N MET 988.A O no hydrogen 3.090 N/A VAL 992.A N MET 988.A O no hydrogen 3.056 N/A THR 993.A OG1 LEU 887.A O no hydrogen 2.833 N/A THR 995.A N VAL 992.A O no hydrogen 3.251 N/A THR 995.A OG1 SER 959.A OG no hydrogen 2.623 N/A THR 995.A OG1 MET 991.A O no hydrogen 2.545 N/A VAL 996.A N VAL 992.A O no hydrogen 2.758 N/A LEU 997.A N THR 993.A O no hydrogen 3.204 N/A VAL 1009.A N PHE 1005.A O no hydrogen 3.255 N/A ARG 1010.A NH1 TYR 521.A O no hydrogen 3.224 N/A PHE 1013.A N VAL 1009.A O no hydrogen 3.292 N/A SER 1014.A OG PHE 1013.A O no hydrogen 2.585 N/A ARG 1015.A NH1 ARG 1012.A O no hydrogen 3.558 N/A