Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6fed_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG ASN 1.A O no hydrogen 2.634 N/A SER 2.A OG GLU 20.A OE1 no hydrogen 3.335 N/A ARG 9.A N PRO 7.A O no hydrogen 2.708 N/A ARG 9.A NH1 PRO 591.A O no hydrogen 3.207 N/A ARG 9.A NH1 VAL 939.A O no hydrogen 2.952 N/A ARG 9.A NH2 GLU 679.A OE1 no hydrogen 2.739 N/A PHE 12.A N ALA 940.A O no hydrogen 3.398 N/A ALA 13.A N SER 11.A OG no hydrogen 3.052 N/A LYS 14.A N ASP 945.A OD2 no hydrogen 2.873 N/A LYS 14.A NZ PHE 12.A O no hydrogen 3.332 N/A LYS 14.A NZ LYS 925.A O no hydrogen 3.092 N/A LYS 14.A NZ GLU 951.A OE2 no hydrogen 2.752 N/A LEU 24.A N ASP 604.A OD2 no hydrogen 2.777 N/A ASP 26.A N GLY 23.A O no hydrogen 3.208 N/A GLN 28.A NE2 VAL 146.A O no hydrogen 3.380 N/A THR 29.A N LEU 25.A O no hydrogen 3.343 N/A THR 29.A OG1 LEU 25.A O no hydrogen 3.065 N/A THR 29.A OG1 ASP 26.A O no hydrogen 3.432 N/A THR 29.A OG1 ASP 30.A OD1 no hydrogen 3.015 N/A ASP 30.A N ASP 26.A O no hydrogen 2.754 N/A SER 31.A OG THR 347.A OG1 no hydrogen 3.034 N/A PHE 32.A N GLN 28.A O no hydrogen 2.985 N/A GLU 33.A N THR 29.A O no hydrogen 2.697 N/A TRP 34.A N ASP 30.A O no hydrogen 3.231 N/A LEU 35.A N SER 31.A O no hydrogen 3.101 N/A VAL 36.A N PHE 32.A O no hydrogen 3.082 N/A GLY 37.A N GLU 33.A O no hydrogen 2.749 N/A SER 38.A N GLU 33.A O no hydrogen 3.152 N/A ARG 40.A NE GLU 33.A OE2 no hydrogen 3.100 N/A ARG 40.A NH1 ASP 30.A OD1 no hydrogen 3.519 N/A ARG 42.A N SER 38.A O no hydrogen 2.793 N/A ARG 42.A NH2 GLU 58.A OE2 no hydrogen 3.137 N/A GLN 43.A N ASP 39.A O no hydrogen 3.306 N/A ALA 45.A N TRP 41.A O no hydrogen 3.143 N/A ILE 46.A N ARG 42.A O no hydrogen 3.381 N/A ASP 47.A N GLN 43.A O no hydrogen 3.071 N/A ARG 48.A N ALA 44.A O no hydrogen 3.279 N/A GLY 55.A N GLU 58.A OE1 no hydrogen 3.423 N/A GLY 56.A N TRP 34.A O no hydrogen 2.826 N/A LEU 57.A N LEU 35.A O no hydrogen 3.056 N/A GLU 59.A N GLY 55.A O no hydrogen 2.779 N/A VAL 60.A N GLY 56.A O no hydrogen 3.183 N/A LEU 61.A N LEU 57.A O no hydrogen 3.084 N/A ALA 62.A N GLU 58.A O no hydrogen 3.332 N/A GLU 63.A N GLU 59.A O no hydrogen 3.286 N/A LEU 64.A N VAL 60.A O no hydrogen 3.091 N/A SER 65.A N LEU 61.A O no hydrogen 3.063 N/A SER 65.A OG LEU 61.A O no hydrogen 2.803 N/A SER 65.A OG ALA 62.A O no hydrogen 3.074 N/A ILE 67.A N LEU 76.A O no hydrogen 2.755 N/A GLY 72.A N ASP 69.A OD1 no hydrogen 3.301 N/A SER 75.A N ILE 111.A O no hydrogen 3.004 N/A SER 77.A N GLU 109.A O no hydrogen 3.485 N/A SER 79.A N THR 107.A O no hydrogen 3.051 N/A ARG 82.A N PHE 105.A O no hydrogen 2.751 N/A ARG 82.A NH2 THR 122.A OG1 no hydrogen 3.219 N/A ASP 84.A N PRO 103.A O no hydrogen 3.366 N/A CYS 93.A N SER 89.A O no hydrogen 2.932 N/A CYS 93.A SG ALA 88.A O no hydrogen 3.587 N/A CYS 93.A SG SER 89.A O no hydrogen 3.309 N/A CYS 93.A SG THR 99.A O no hydrogen 3.774 N/A LYS 94.A N VAL 90.A O no hydrogen 3.420 N/A LYS 94.A NZ GLU 143.A OE2 no hydrogen 3.552 N/A ASP 95.A N ASP 91.A O no hydrogen 2.969 N/A LYS 96.A N GLU 92.A O no hydrogen 2.852 N/A MET 98.A N CYS 93.A O no hydrogen 3.147 N/A THR 99.A OG1 ILE 138.A O no hydrogen 3.237 N/A TYR 100.A N ILE 138.A O no hydrogen 3.033 N/A ALA 102.A N PHE 128.A O no hydrogen 2.945 N/A LEU 104.A N GLY 126.A O no hydrogen 2.906 N/A PHE 105.A N ARG 82.A O no hydrogen 3.194 N/A VAL 106.A N VAL 123.A O no hydrogen 2.909 N/A THR 107.A N SER 79.A O no hydrogen 2.927 N/A ALA 108.A N GLN 121.A O no hydrogen 2.905 N/A PHE 110.A N LYS 119.A O no hydrogen 3.374 N/A ILE 111.A N SER 75.A O no hydrogen 3.292 N/A ASN 112.A N GLU 117.A O no hydrogen 3.087 N/A ASN 113.A N SER 73.A O no hydrogen 2.748 N/A ASN 114.A N ASN 112.A OD1 no hydrogen 3.381 N/A GLY 116.A N ASN 112.A O no hydrogen 2.918 N/A GLU 117.A N ASN 112.A O no hydrogen 3.336 N/A LYS 119.A N PHE 110.A O no hydrogen 3.208 N/A LYS 119.A NZ GLU 377.A OE2 no hydrogen 3.556 N/A GLN 121.A N ALA 108.A O no hydrogen 3.193 N/A GLN 121.A NE2 GLN 382.A OE1 no hydrogen 3.436 N/A VAL 123.A N VAL 106.A O no hydrogen 2.715 N/A MET 125.A N LEU 104.A O no hydrogen 3.032 N/A MET 130.A N TYR 100.A O no hydrogen 2.845 N/A THR 132.A N THR 136.A O no hydrogen 3.360 N/A THR 132.A OG1 THR 136.A OG1 no hydrogen 2.757 N/A LYS 134.A NZ GLU 143.A OE1 no hydrogen 3.440 N/A LYS 134.A NZ GLU 143.A OE2 no hydrogen 2.941 N/A THR 136.A N THR 132.A OG1 no hydrogen 3.159 N/A THR 136.A OG1 THR 132.A OG1 no hydrogen 2.757 N/A PHE 137.A N ARG 144.A O no hydrogen 2.789 N/A ILE 139.A N THR 142.A O no hydrogen 2.915 N/A THR 142.A N ILE 139.A O no hydrogen 3.046 N/A THR 142.A OG1 ILE 139.A O no hydrogen 2.693 N/A ARG 144.A N PHE 137.A O no hydrogen 2.842 N/A ARG 144.A NE THR 142.A OG1 no hydrogen 2.884 N/A VAL 145.A N GLN 405.A O no hydrogen 3.252 N/A VAL 147.A N LEU 403.A O no hydrogen 2.760 N/A SER 148.A OG ARG 421.A O no hydrogen 2.727 N/A GLN 149.A N ARG 346.A O no hydrogen 2.764 N/A GLN 149.A NE2 LEU 425.A O no hydrogen 3.403 N/A GLN 149.A NE2 PRO 427.A O no hydrogen 3.017 N/A LEU 150.A N SER 423.A O no hydrogen 3.187 N/A VAL 151.A N ARG 344.A O no hydrogen 3.388 N/A SER 153.A OG PRO 154.A O no hydrogen 3.405 N/A SER 153.A OG TYR 157.A OH no hydrogen 2.595 N/A SER 153.A OG ASN 342.A O no hydrogen 2.729 N/A GLY 155.A N ILE 176.A O no hydrogen 3.095 N/A TYR 157.A OH SER 153.A O no hydrogen 2.628 N/A TYR 157.A OH SER 153.A OG no hydrogen 2.595 N/A ASP 159.A N SER 172.A O no hydrogen 3.070 N/A THR 161.A N LEU 170.A O no hydrogen 3.330 N/A THR 161.A OG1 LEU 170.A O no hydrogen 3.552 N/A ASP 163.A N LYS 168.A O no hydrogen 3.373 N/A SER 172.A N ASP 159.A O no hydrogen 3.086 N/A SER 172.A OG ASP 159.A OD1 no hydrogen 3.325 N/A LYS 174.A N TYR 157.A O no hydrogen 3.475 N/A VAL 175.A N LEU 183.A O no hydrogen 3.184 N/A ILE 176.A N GLY 155.A O no hydrogen 3.291 N/A GLU 184.A N ARG 192.A O no hydrogen 2.761 N/A PHE 185.A N VAL 173.A O no hydrogen 3.060 N/A ARG 192.A N GLU 184.A O no hydrogen 2.899 N/A ARG 192.A NE ASP 186.A OD2 no hydrogen 3.247 N/A ARG 192.A NH2 ASP 186.A OD2 no hydrogen 2.721 N/A LYS 206.A N THR 202.A O no hydrogen 3.226 N/A ALA 207.A N VAL 203.A O no hydrogen 3.336 N/A LEU 208.A N LEU 204.A O no hydrogen 2.881 N/A GLU 217.A N GLU 213.A O no hydrogen 3.133 N/A ARG 218.A N GLN 214.A O no hydrogen 2.946 N/A PHE 219.A N ILE 215.A O no hydrogen 3.321 N/A GLY 220.A N VAL 216.A O no hydrogen 3.015 N/A PHE 221.A N PHE 219.A O no hydrogen 2.795 N/A GLY 227.A N GLU 223.A O no hydrogen 3.418 N/A THR 228.A N ILE 224.A O no hydrogen 2.958 N/A THR 228.A OG1 ILE 224.A O no hydrogen 3.340 N/A THR 228.A OG1 MET 225.A O no hydrogen 2.717 N/A LYS 231.A N GLY 227.A O no hydrogen 3.133 N/A ASP 232.A N THR 228.A O no hydrogen 2.963 N/A LEU 241.A N THR 237.A O no hydrogen 3.117 N/A LEU 242.A N ASP 238.A O no hydrogen 3.087 N/A ASP 243.A N GLU 239.A O no hydrogen 3.200 N/A ILE 244.A N ALA 240.A O no hydrogen 3.016 N/A LEU 248.A N ILE 244.A O no hydrogen 3.481 N/A ARG 249.A N TYR 245.A O no hydrogen 3.117 N/A LYS 256.A NZ GLN 260.A OE1 no hydrogen 3.223 N/A SER 258.A OG THR 255.A O no hydrogen 3.445 N/A ALA 259.A N THR 255.A O no hydrogen 3.056 N/A THR 261.A OG1 GLU 257.A O no hydrogen 3.267 N/A THR 261.A OG1 SER 258.A O no hydrogen 3.050 N/A ASN 265.A N THR 261.A O no hydrogen 2.994 N/A LEU 266.A N LEU 262.A O no hydrogen 2.894 N/A LYS 269.A N GLU 264.A O no hydrogen 2.849 N/A ASP 274.A N ARG 179.A O no hydrogen 3.006 N/A ARG 277.A NH1 GLU 59.A OE1 no hydrogen 3.103 N/A ARG 277.A NH1 GLN 353.A OE1 no hydrogen 3.123 N/A ARG 280.A N ALA 276.A O no hydrogen 2.787 N/A TYR 281.A N ARG 277.A O no hydrogen 2.809 N/A LYS 282.A N VAL 278.A O no hydrogen 2.773 N/A LYS 282.A NZ GLY 341.A O no hydrogen 3.513 N/A LYS 282.A NZ ASN 342.A OD1 no hydrogen 2.760 N/A VAL 283.A N GLY 279.A O no hydrogen 2.900 N/A ASN 284.A N ARG 280.A O no hydrogen 3.221 N/A LYS 285.A N TYR 281.A O no hydrogen 3.444 N/A LYS 285.A NZ TYR 281.A OH no hydrogen 3.525 N/A LYS 286.A N LYS 282.A O no hydrogen 2.906 N/A LEU 287.A N VAL 283.A O no hydrogen 3.241 N/A GLY 288.A N ASN 284.A O no hydrogen 3.010 N/A LEU 289.A N ASN 284.A O no hydrogen 2.880 N/A VAL 306.A N GLU 302.A O no hydrogen 2.822 N/A ALA 307.A N GLU 303.A O no hydrogen 3.040 N/A THR 308.A N ASP 304.A O no hydrogen 3.326 N/A THR 308.A OG1 ASP 304.A O no hydrogen 3.455 N/A THR 308.A OG1 VAL 305.A O no hydrogen 2.655 N/A GLU 310.A N VAL 306.A O no hydrogen 3.398 N/A TYR 311.A N ALA 307.A O no hydrogen 2.999 N/A TYR 311.A OH GLU 333.A O no hydrogen 3.186 N/A LEU 312.A N THR 308.A O no hydrogen 3.170 N/A VAL 313.A N ILE 309.A O no hydrogen 3.131 N/A ARG 314.A N GLU 310.A O no hydrogen 3.128 N/A ARG 314.A NH1 GLN 319.A OE1 no hydrogen 3.078 N/A LEU 315.A N TYR 311.A O no hydrogen 3.159 N/A HIS 316.A N LEU 312.A O no hydrogen 3.055 N/A GLU 317.A N VAL 313.A O no hydrogen 2.776 N/A GLY 318.A N ARG 314.A O no hydrogen 3.269 N/A VAL 328.A N GLY 288.A O no hydrogen 3.238 N/A VAL 330.A N MET 322.A O no hydrogen 3.415 N/A GLU 333.A N TYR 311.A OH no hydrogen 3.059 N/A ASP 335.A N PHE 158.A O no hydrogen 3.126 N/A ASP 338.A N ASP 336.A OD1 no hydrogen 2.831 N/A HIS 339.A NE2 ASP 504.A OD2 no hydrogen 3.096 N/A PHE 340.A N SER 445.A OG no hydrogen 3.151 N/A ASN 342.A N HIS 339.A O no hydrogen 3.079 N/A ASN 342.A ND2 ASP 336.A O no hydrogen 2.755 N/A ARG 343.A N HIS 339.A O no hydrogen 2.726 N/A LEU 345.A N GLY 477.A O no hydrogen 2.750 N/A ARG 346.A N GLN 149.A O no hydrogen 2.676 N/A ARG 346.A NE GLN 149.A OE1 no hydrogen 3.326 N/A ARG 346.A NH2 GLN 149.A OE1 no hydrogen 2.753 N/A THR 347.A OG1 VAL 27.A O no hydrogen 3.093 N/A THR 347.A OG1 SER 31.A OG no hydrogen 3.034 N/A GLY 349.A N SER 31.A OG no hydrogen 2.724 N/A LEU 351.A N THR 347.A O no hydrogen 2.838 N/A ILE 352.A N VAL 348.A O no hydrogen 2.919 N/A GLN 353.A N GLY 349.A O no hydrogen 2.844 N/A GLN 353.A NE2 GLY 56.A O no hydrogen 3.011 N/A GLN 353.A NE2 GLU 59.A OE1 no hydrogen 3.337 N/A ASN 354.A N GLU 350.A O no hydrogen 2.791 N/A ASN 354.A ND2 GLU 350.A OE2 no hydrogen 3.522 N/A GLN 355.A NE2 ALA 393.A O no hydrogen 3.082 N/A ILE 356.A N ILE 352.A O no hydrogen 3.056 N/A ARG 357.A N GLN 353.A O no hydrogen 2.975 N/A GLY 359.A N GLN 355.A O no hydrogen 2.765 N/A LEU 360.A N ILE 356.A O no hydrogen 2.743 N/A SER 361.A N ARG 357.A O no hydrogen 3.246 N/A SER 361.A OG ARG 357.A O no hydrogen 2.706 N/A ARG 362.A N VAL 358.A O no hydrogen 2.791 N/A MET 363.A N GLY 359.A O no hydrogen 3.024 N/A GLU 364.A N LEU 360.A O no hydrogen 2.745 N/A VAL 367.A N MET 363.A O no hydrogen 2.956 N/A ARG 368.A N GLU 364.A O no hydrogen 3.057 N/A ARG 370.A N VAL 366.A O no hydrogen 2.975 N/A MET 371.A N VAL 367.A O no hydrogen 3.366 N/A THR 372.A OG1 GLU 369.A O no hydrogen 2.808 N/A THR 373.A OG1 GLU 369.A O no hydrogen 3.497 N/A THR 373.A OG1 ARG 370.A O no hydrogen 3.266 N/A GLN 374.A N ARG 370.A O no hydrogen 3.157 N/A THR 380.A N THR 383.A OG1 no hydrogen 3.160 N/A THR 380.A OG1 GLN 121.A OE1 no hydrogen 3.230 N/A GLN 382.A N GLN 121.A OE1 no hydrogen 3.086 N/A THR 383.A OG1 THR 380.A O no hydrogen 2.696 N/A LEU 384.A N THR 380.A O no hydrogen 3.076 N/A ILE 385.A N PRO 381.A O no hydrogen 3.077 N/A VAL 390.A N ILE 387.A O no hydrogen 3.226 N/A VAL 391.A N ILE 387.A O no hydrogen 2.955 N/A ALA 392.A N ARG 388.A O no hydrogen 3.071 N/A ILE 394.A N VAL 390.A O no hydrogen 3.360 N/A LYS 395.A N VAL 391.A O no hydrogen 3.025 N/A GLU 396.A N ALA 392.A O no hydrogen 2.715 N/A PHE 397.A N ILE 394.A O no hydrogen 3.327 N/A PHE 398.A N ILE 394.A O no hydrogen 3.467 N/A GLY 399.A N LYS 395.A O no hydrogen 3.093 N/A THR 400.A OG1 GLY 399.A O no hydrogen 2.546 N/A THR 400.A OG1 THR 400.A O no hydrogen 2.608 N/A LEU 403.A N SER 401.A OG no hydrogen 3.376 N/A SER 404.A OG PHE 398.A O no hydrogen 3.329 N/A GLN 405.A N LEU 403.A O no hydrogen 2.861 N/A GLN 405.A NE2 GLN 402.A O no hydrogen 3.273 N/A GLN 409.A NE2 ASN 646.A OD1 no hydrogen 2.730 N/A ASN 411.A N SER 414.A OG no hydrogen 3.013 N/A ASN 411.A ND2 GLN 579.A O no hydrogen 3.208 N/A ASN 411.A ND2 ARG 580.A O no hydrogen 2.991 N/A ASN 411.A ND2 ALA 582.A O no hydrogen 2.798 N/A LEU 413.A N ASN 411.A OD1 no hydrogen 2.772 N/A SER 414.A N ASN 411.A OD1 no hydrogen 3.073 N/A SER 414.A OG ASP 408.A O no hydrogen 2.903 N/A SER 414.A OG ASN 411.A O no hydrogen 2.601 N/A GLY 415.A N ASN 411.A O no hydrogen 3.309 N/A LEU 416.A N PRO 412.A O no hydrogen 2.914 N/A THR 417.A N LEU 413.A O no hydrogen 2.768 N/A THR 417.A OG1 LEU 413.A O no hydrogen 2.725 N/A THR 417.A OG1 SER 414.A O no hydrogen 3.394 N/A HIS 418.A N SER 414.A O no hydrogen 2.852 N/A LYS 419.A N GLY 415.A O no hydrogen 3.117 N/A ARG 420.A NE LEU 24.A O no hydrogen 2.895 N/A ARG 420.A NH1 SER 468.A O no hydrogen 3.082 N/A ARG 420.A NH2 SER 468.A O no hydrogen 3.432 N/A ARG 420.A NH2 VAL 469.A O no hydrogen 3.487 N/A ARG 421.A NH1 GLN 405.A OE1 no hydrogen 3.057 N/A SER 423.A N SER 148.A O no hydrogen 3.188 N/A SER 423.A OG LEU 425.A O no hydrogen 3.473 N/A ALA 424.A N LEU 463.A O no hydrogen 3.240 N/A ALA 435.A N SER 431.A O no hydrogen 3.152 N/A GLU 438.A N GLU 438.A OE2 no hydrogen 2.760 N/A ARG 440.A NH1 PRO 459.A O no hydrogen 2.782 N/A ARG 440.A NH1 ILE 461.A O no hydrogen 2.835 N/A ARG 440.A NH2 ARG 432.A O no hydrogen 3.124 N/A ARG 440.A NH2 PRO 459.A O no hydrogen 3.305 N/A ASP 441.A N LEU 437.A O no hydrogen 2.933 N/A HIS 446.A N HIS 443.A O no hydrogen 3.227 N/A TYR 447.A OH ASP 547.A OD2 no hydrogen 2.704 N/A ARG 449.A N HIS 446.A O no hydrogen 2.772 N/A ARG 449.A NE ILE 479.A O no hydrogen 2.993 N/A ARG 449.A NH1 LEU 498.A O no hydrogen 3.484 N/A ARG 449.A NH2 GLU 503.A OE2 no hydrogen 2.995 N/A MET 450.A N HIS 446.A O no hydrogen 3.331 N/A CYS 451.A N SER 466.A O no hydrogen 2.811 N/A THR 455.A OG1 ILE 464.A O no hydrogen 2.809 N/A GLY 462.A N THR 455.A OG1 no hydrogen 2.889 N/A GLY 465.A N LEU 422.A O no hydrogen 2.787 N/A LEU 467.A N ARG 420.A O no hydrogen 2.676 N/A SER 468.A N ARG 449.A O no hydrogen 2.712 N/A SER 468.A OG GLN 552.A O no hydrogen 3.206 N/A VAL 469.A N VAL 554.A O no hydrogen 3.430 N/A ALA 471.A N SER 468.A O no hydrogen 3.355 N/A ARG 472.A N GLU 480.A O no hydrogen 3.430 N/A ARG 472.A NH2 GLU 480.A OE1 no hydrogen 3.556 N/A ASN 474.A N PHE 478.A O no hydrogen 2.916 N/A GLU 480.A N ARG 472.A O no hydrogen 3.313 N/A THR 481.A N LEU 498.A O no hydrogen 2.882 N/A THR 481.A OG1 GLY 448.A O no hydrogen 2.660 N/A TYR 483.A N ASP 496.A O no hydrogen 3.273 N/A ARG 484.A N MET 546.A O no hydrogen 2.761 N/A VAL 486.A N ASP 544.A O no hydrogen 2.780 N/A GLU 487.A N VAL 490.A O no hydrogen 3.014 N/A THR 492.A N LYS 485.A O no hydrogen 3.040 N/A ASP 496.A N TYR 483.A O no hydrogen 3.209 N/A LEU 498.A N THR 481.A O no hydrogen 2.999 N/A THR 499.A N GLU 502.A OE2 no hydrogen 3.296 N/A GLU 503.A N THR 499.A O no hydrogen 2.951 N/A HIS 506.A N GLU 503.A O no hydrogen 3.283 N/A HIS 506.A ND1 GLU 502.A O no hydrogen 3.010 N/A VAL 507.A N ASP 544.A OD1 no hydrogen 2.831 N/A ALA 509.A N TYR 545.A O no hydrogen 3.068 N/A GLN 510.A N MET 527.A O no hydrogen 3.287 N/A ASN 512.A N GLN 510.A OE1 no hydrogen 3.310 N/A ASN 512.A ND2 PHE 944.A O no hydrogen 3.548 N/A SER 513.A OG GLN 510.A O no hydrogen 3.008 N/A ASP 516.A N ARG 520.A O no hydrogen 2.867 N/A GLU 517.A N THR 515.A O no hydrogen 2.878 N/A VAL 526.A N VAL 538.A O no hydrogen 2.968 N/A VAL 528.A N GLU 536.A O no hydrogen 2.897 N/A ARG 529.A N VAL 508.A O no hydrogen 2.923 N/A ARG 529.A NH2 ASP 547.A OD1 no hydrogen 3.218 N/A LYS 530.A N GLU 534.A O no hydrogen 2.770 N/A GLU 536.A N VAL 528.A O no hydrogen 2.755 N/A VAL 538.A N VAL 526.A O no hydrogen 3.161 N/A SER 539.A OG ASP 524.A O no hydrogen 3.417 N/A TYR 545.A N VAL 507.A O no hydrogen 2.986 N/A TYR 545.A OH ASP 496.A OD2 no hydrogen 2.750 N/A ASP 547.A N ALA 509.A O no hydrogen 3.104 N/A SER 549.A OG TYR 470.A OH no hydrogen 3.390 N/A SER 549.A OG PRO 550.A O no hydrogen 3.294 N/A ARG 551.A NH1 TYR 470.A OH no hydrogen 2.666 N/A ARG 551.A NH2 GLU 17.A OE2 no hydrogen 3.500 N/A GLN 552.A NE2 SER 549.A O no hydrogen 3.169 N/A SER 555.A OG GLU 454.A OE1 no hydrogen 2.686 N/A SER 555.A OG THR 558.A OG1 no hydrogen 2.864 N/A THR 558.A N SER 555.A OG no hydrogen 2.846 N/A THR 558.A OG1 SER 555.A OG no hydrogen 2.864 N/A MET 560.A N VAL 556.A O no hydrogen 3.354 N/A MET 560.A N ALA 557.A O no hydrogen 3.159 N/A ILE 561.A N THR 558.A O no hydrogen 3.310 N/A ASP 567.A N LEU 564.A O no hydrogen 3.048 N/A ASN 570.A ND2 ASP 568.A OD2 no hydrogen 3.506 N/A ALA 572.A N ASP 568.A O no hydrogen 2.681 N/A LEU 573.A N ALA 569.A O no hydrogen 2.746 N/A MET 574.A N ASN 570.A O no hydrogen 3.228 N/A GLY 575.A N ARG 571.A O no hydrogen 2.789 N/A ALA 576.A N ALA 572.A O no hydrogen 2.739 N/A ASN 577.A N LEU 573.A O no hydrogen 2.888 N/A ASN 577.A ND2 THR 455.A O no hydrogen 2.598 N/A MET 578.A N MET 574.A O no hydrogen 2.685 N/A GLN 579.A N GLY 575.A O no hydrogen 3.258 N/A ARG 580.A NH1 GLU 454.A OE2 no hydrogen 3.519 N/A ARG 580.A NH2 GLU 454.A OE2 no hydrogen 3.274 N/A GLN 581.A NE2 ASN 577.A O no hydrogen 3.342 N/A VAL 583.A N LYS 999.A O no hydrogen 2.982 N/A VAL 586.A N THR 715.A O no hydrogen 2.896 N/A SER 588.A OG PRO 673.A O no hydrogen 3.316 N/A SER 588.A OG ALA 681.A O no hydrogen 3.089 N/A LEU 592.A N ASN 685.A OD1 no hydrogen 2.792 N/A GLY 594.A N VAL 939.A O no hydrogen 2.924 N/A GLU 598.A N THR 595.A O no hydrogen 3.380 N/A LEU 599.A N GLY 596.A O no hydrogen 3.354 N/A ALA 601.A N MET 597.A O no hydrogen 3.117 N/A ALA 602.A N GLU 598.A O no hydrogen 3.322 N/A ASP 604.A N ARG 600.A O no hydrogen 3.122 N/A ALA 605.A N ALA 601.A O no hydrogen 2.920 N/A ALA 611.A N GLN 667.A O no hydrogen 2.746 N/A ASP 612.A N TYR 637.A OH no hydrogen 2.874 N/A LYS 613.A NZ ASP 631.A OD2 no hydrogen 3.269 N/A GLY 615.A N VAL 663.A O no hydrogen 2.867 N/A VAL 616.A N MET 628.A O no hydrogen 2.917 N/A ILE 617.A N GLN 661.A O no hydrogen 3.481 N/A GLU 618.A N THR 626.A O no hydrogen 2.905 N/A GLU 619.A N THR 626.A O no hydrogen 3.312 N/A SER 621.A N TYR 624.A O no hydrogen 3.275 N/A ILE 625.A N TYR 637.A O no hydrogen 2.918 N/A THR 626.A N GLU 619.A O no hydrogen 3.228 N/A VAL 627.A N GLN 635.A O no hydrogen 3.232 N/A MET 628.A N VAL 616.A O no hydrogen 2.716 N/A ALA 629.A N THR 633.A O no hydrogen 3.054 N/A ASP 630.A N THR 614.A O no hydrogen 2.994 N/A GLN 635.A N VAL 627.A O no hydrogen 3.175 N/A GLN 635.A NE2 ASP 612.A OD2 no hydrogen 3.514 N/A TYR 637.A N ILE 625.A O no hydrogen 2.881 N/A LEU 639.A N ASP 623.A O no hydrogen 3.396 N/A ARG 640.A N GLN 653.A OE1 no hydrogen 2.722 N/A LYS 641.A NZ ASN 652.A OD1 no hydrogen 2.710 N/A LYS 641.A NZ GLN 653.A O no hydrogen 3.135 N/A ARG 644.A NH1 ASN 646.A O no hydrogen 3.405 N/A ARG 644.A NH2 ASN 646.A O no hydrogen 2.969 N/A SER 645.A N THR 649.A O no hydrogen 3.119 N/A SER 645.A OG GLN 409.A O no hydrogen 2.618 N/A ASN 646.A ND2 GLU 143.A O no hydrogen 2.782 N/A ASN 646.A ND2 MET 407.A O no hydrogen 2.772 N/A THR 649.A OG1 GLN 409.A O no hydrogen 3.135 N/A THR 649.A OG1 ASN 410.A O no hydrogen 2.923 N/A ALA 651.A N ALA 643.A O no hydrogen 3.102 N/A GLN 653.A NE2 ASP 607.A O no hydrogen 2.556 N/A ILE 656.A N ILE 669.A O no hydrogen 3.037 N/A GLN 661.A NE2 ASP 658.A OD1 no hydrogen 3.277 N/A ARG 662.A NH1 GLY 615.A O no hydrogen 2.824 N/A ARG 662.A NH1 ASP 630.A OD1 no hydrogen 3.516 N/A ARG 662.A NH2 ASP 630.A OD1 no hydrogen 3.545 N/A ARG 662.A NH2 ASP 630.A OD2 no hydrogen 3.237 N/A VAL 663.A N GLY 615.A O no hydrogen 3.007 N/A GLU 664.A N GLN 667.A OE1 no hydrogen 2.754 N/A ALA 665.A N THR 614.A OG1 no hydrogen 3.203 N/A GLY 666.A N ALA 611.A O no hydrogen 2.815 N/A ILE 669.A N VAL 609.A O no hydrogen 2.953 N/A ALA 670.A N VAL 609.A O no hydrogen 3.451 N/A ASP 671.A N ARG 654.A O no hydrogen 2.603 N/A GLY 672.A N THR 675.A OG1 no hydrogen 2.599 N/A CYS 674.A SG VAL 583.A O no hydrogen 3.808 N/A GLN 676.A N GLU 679.A O no hydrogen 3.092 N/A MET 680.A N GLU 598.A O no hydrogen 2.934 N/A ALA 681.A N CYS 674.A O no hydrogen 2.759 N/A LYS 684.A N ILE 997.A O no hydrogen 2.911 N/A LYS 684.A NZ VAL 713.A O no hydrogen 2.649 N/A ASN 685.A ND2 ALA 590.A O no hydrogen 2.822 N/A LEU 687.A N ASP 881.A OD2 no hydrogen 2.778 N/A VAL 688.A N GLY 993.A O no hydrogen 2.716 N/A ALA 689.A N ILE 882.A O no hydrogen 2.907 N/A ILE 690.A N THR 991.A O no hydrogen 2.743 N/A MET 691.A N LEU 884.A O no hydrogen 3.109 N/A HIS 696.A N TRP 693.A O no hydrogen 3.262 N/A ALA 701.A N GLU 699.A O no hydrogen 2.889 N/A ILE 702.A N VAL 861.A O no hydrogen 2.896 N/A ILE 703.A N ILE 883.A O no hydrogen 3.479 N/A LEU 704.A N LYS 864.A O no hydrogen 3.296 N/A SER 705.A N ASP 881.A O no hydrogen 2.707 N/A SER 705.A OG ASP 881.A O no hydrogen 3.376 N/A ARG 707.A NE ASP 881.A OD1 no hydrogen 2.677 N/A LEU 708.A N SER 705.A O no hydrogen 3.346 N/A GLU 710.A N ASN 706.A O no hydrogen 2.741 N/A GLU 711.A N ARG 707.A O no hydrogen 2.822 N/A VAL 713.A N LEU 708.A O no hydrogen 3.291 N/A SER 716.A N ARG 844.A O no hydrogen 3.208 N/A SER 716.A OG HIS 718.A NE2 no hydrogen 3.107 N/A HIS 718.A N GLN 842.A O no hydrogen 3.144 N/A ILE 719.A N GLY 648.A O no hydrogen 2.718 N/A GLU 720.A N VAL 840.A O no hydrogen 2.762 N/A HIS 722.A N VAL 838.A O no hydrogen 3.184 N/A ILE 724.A N VAL 836.A O no hydrogen 3.397 N/A ALA 726.A N GLU 834.A O no hydrogen 3.081 N/A ARG 727.A NE ASP 725.A OD2 no hydrogen 2.744 N/A ARG 727.A NH2 ASP 725.A OD2 no hydrogen 3.087 N/A ASP 728.A N GLY 831.A O no hydrogen 2.772 N/A GLU 734.A N ARG 727.A O no hydrogen 3.266 N/A THR 737.A N GLY 771.A O no hydrogen 2.858 N/A ALA 749.A N GLU 746.A O no hydrogen 3.324 N/A LEU 751.A N LEU 748.A O no hydrogen 3.293 N/A ASP 752.A N ILE 756.A O no hydrogen 2.837 N/A ARG 754.A NH1 ASP 752.A OD2 no hydrogen 3.545 N/A GLY 755.A N ASP 752.A OD1 no hydrogen 3.014 N/A ILE 756.A N ASP 752.A OD1 no hydrogen 2.970 N/A VAL 757.A N LEU 769.A O no hydrogen 2.848 N/A ARG 758.A N ASP 750.A O no hydrogen 2.869 N/A GLY 760.A N VAL 814.A O no hydrogen 2.812 N/A ALA 761.A N ARG 758.A O no hydrogen 3.404 N/A VAL 763.A N GLY 812.A O no hydrogen 2.874 N/A ASP 767.A N ARG 764.A O no hydrogen 2.866 N/A LEU 769.A N LEU 804.A O no hydrogen 3.311 N/A GLY 771.A N GLY 755.A O no hydrogen 3.069 N/A LYS 772.A NZ ASP 725.A O no hydrogen 3.296 N/A LYS 772.A NZ GLU 734.A OE1 no hydrogen 2.958 N/A VAL 773.A N GLU 735.A O no hydrogen 3.207 N/A THR 774.A N ARG 800.A O no hydrogen 2.938 N/A THR 774.A OG1 ARG 800.A O no hydrogen 3.289 N/A GLU 780.A N THR 779.A OG1 no hydrogen 2.751 N/A GLU 785.A N THR 782.A OG1 no hydrogen 3.401 N/A ARG 786.A N THR 782.A O no hydrogen 3.013 N/A LEU 787.A N PRO 783.A O no hydrogen 3.272 N/A ARG 789.A N GLU 785.A O no hydrogen 3.062 N/A ALA 790.A N ARG 786.A O no hydrogen 3.354 N/A PHE 792.A N LEU 788.A O no hydrogen 3.150 N/A GLY 793.A N ARG 789.A O no hydrogen 3.132 N/A ARG 797.A NH1 ASP 739.A O no hydrogen 3.263 N/A ARG 800.A N THR 774.A O no hydrogen 2.731 N/A SER 803.A OG VAL 770.A O no hydrogen 2.703 N/A SER 803.A OG LEU 804.A O no hydrogen 3.364 N/A LEU 804.A N VAL 770.A O no hydrogen 3.095 N/A LYS 805.A NZ SER 803.A O no hydrogen 3.375 N/A VAL 806.A N ASP 767.A O no hydrogen 3.309 N/A SER 811.A OG GLU 810.A O no hydrogen 2.817 N/A GLY 812.A N VAL 763.A O no hydrogen 3.113 N/A LYS 813.A NZ GLU 762.A OE1 no hydrogen 3.541 N/A VAL 814.A N ALA 761.A O no hydrogen 3.337 N/A ILE 815.A N TYR 839.A O no hydrogen 2.775 N/A ARG 818.A N ARG 837.A O no hydrogen 3.230 N/A ARG 818.A NE ASP 95.A O no hydrogen 3.031 N/A ARG 818.A NE ASP 95.A OD1 no hydrogen 2.996 N/A PHE 820.A N LEU 835.A O no hydrogen 2.703 N/A GLU 823.A N SER 821.A OG no hydrogen 3.359 N/A VAL 832.A N PRO 829.A O no hydrogen 3.466 N/A ASN 833.A N ALA 726.A O no hydrogen 3.403 N/A LEU 835.A N PHE 820.A O no hydrogen 3.136 N/A VAL 836.A N ILE 724.A O no hydrogen 3.186 N/A ARG 837.A N ARG 818.A O no hydrogen 2.811 N/A ARG 837.A NH2 ASP 97.A OD1 no hydrogen 3.373 N/A VAL 838.A N HIS 722.A O no hydrogen 3.223 N/A VAL 840.A N GLU 720.A O no hydrogen 3.207 N/A ALA 841.A N LYS 813.A O no hydrogen 2.714 N/A GLN 842.A N HIS 718.A O no hydrogen 2.978 N/A ARG 844.A N SER 716.A O no hydrogen 2.873 N/A ARG 844.A NE GLN 842.A OE1 no hydrogen 3.450 N/A ARG 844.A NH2 GLN 842.A OE1 no hydrogen 3.491 N/A SER 847.A OG ASP 848.A O no hydrogen 3.460 N/A SER 847.A OG ASP 848.A OD1 no hydrogen 2.948 N/A GLY 849.A N ILE 862.A O no hydrogen 2.863 N/A ASP 850.A N SER 847.A O no hydrogen 3.456 N/A LYS 851.A N HIS 1002.A O no hydrogen 3.128 N/A LEU 852.A N GLY 860.A O no hydrogen 2.942 N/A ALA 853.A N LEU 998.A O no hydrogen 3.037 N/A GLY 854.A N ASN 858.A O no hydrogen 3.046 N/A ARG 855.A NH1 MET 560.A O no hydrogen 3.488 N/A ARG 855.A NH1 VAL 593.A O no hydrogen 3.340 N/A ARG 855.A NH2 VAL 593.A O no hydrogen 2.750 N/A ARG 855.A NH2 GLU 900.A OE1 no hydrogen 2.979 N/A HIS 856.A N ASN 858.A OD1 no hydrogen 3.189 N/A HIS 856.A ND1 ASP 567.A OD2 no hydrogen 2.689 N/A HIS 856.A NE2 GLU 900.A OE2 no hydrogen 2.744 N/A GLY 860.A N LEU 852.A O no hydrogen 3.143 N/A ILE 862.A N ASP 850.A O no hydrogen 3.269 N/A GLY 863.A N ILE 702.A O no hydrogen 2.445 N/A LEU 866.A N LEU 704.A O no hydrogen 2.957 N/A ASP 870.A N PRO 867.A O no hydrogen 2.762 N/A PHE 873.A N PHE 978.A O no hydrogen 3.053 N/A LEU 874.A N THR 878.A O no hydrogen 3.003 N/A GLY 877.A N LEU 874.A O no hydrogen 2.688 N/A THR 878.A N ASP 876.A OD1 no hydrogen 3.145 N/A THR 878.A OG1 ASP 876.A OD1 no hydrogen 3.120 N/A THR 878.A OG1 ASP 876.A OD2 no hydrogen 2.630 N/A ASP 881.A N LEU 687.A O no hydrogen 2.722 N/A ILE 882.A N LEU 687.A O no hydrogen 2.844 N/A ILE 883.A N ILE 703.A O no hydrogen 2.827 N/A LEU 884.A N ALA 689.A O no hydrogen 3.008 N/A HIS 887.A N ASN 885.A OD1 no hydrogen 3.239 N/A VAL 889.A N THR 886.A O no hydrogen 2.960 N/A ARG 891.A NH2 GLU 699.A OE1 no hydrogen 2.642 N/A MET 893.A N VAL 889.A O no hydrogen 3.298 N/A ASN 894.A ND2 HIS 856.A O no hydrogen 3.162 N/A GLY 896.A N ASP 567.A OD1 no hydrogen 3.008 N/A GLN 897.A N ASN 894.A O no hydrogen 3.458 N/A ILE 898.A N ILE 895.A O no hydrogen 3.055 N/A LEU 899.A N ILE 895.A O no hydrogen 3.145 N/A GLU 900.A N GLY 896.A O no hydrogen 2.818 N/A THR 901.A N GLN 897.A O no hydrogen 3.198 N/A THR 901.A OG1 GLN 897.A O no hydrogen 2.564 N/A HIS 902.A N ILE 898.A O no hydrogen 2.965 N/A LEU 903.A N LEU 899.A O no hydrogen 3.101 N/A GLY 904.A N GLU 900.A O no hydrogen 2.753 N/A TRP 905.A N THR 901.A O no hydrogen 2.986 N/A VAL 906.A N HIS 902.A O no hydrogen 3.019 N/A ALA 907.A N LEU 903.A O no hydrogen 2.693 N/A LYS 908.A N GLY 904.A O no hydrogen 2.934 N/A LYS 908.A NZ ASP 936.A OD1 no hydrogen 3.314 N/A ALA 909.A N TRP 905.A O no hydrogen 3.369 N/A TRP 911.A N ALA 933.A O no hydrogen 2.880 N/A ALA 916.A N ASP 914.A O no hydrogen 2.736 N/A VAL 919.A N VAL 915.A O no hydrogen 2.810 N/A ALA 933.A N TRP 911.A O no hydrogen 2.842 N/A ASP 936.A N LYS 908.A O no hydrogen 2.821 N/A SER 937.A N ALA 907.A O no hydrogen 3.262 N/A SER 937.A OG ALA 907.A O no hydrogen 3.158 N/A SER 937.A OG PRO 934.A O no hydrogen 3.031 N/A THR 938.A OG1 ASN 8.A O no hydrogen 3.303 N/A VAL 939.A N LEU 592.A O no hydrogen 3.108 N/A ALA 940.A N VAL 10.A O no hydrogen 3.467 N/A THR 941.A N GLY 594.A O no hydrogen 2.706 N/A THR 941.A OG1 GLY 594.A O no hydrogen 2.725 N/A LEU 952.A N GLN 948.A O no hydrogen 3.015 N/A ALA 953.A N GLU 949.A O no hydrogen 3.286 N/A LEU 955.A N GLU 951.A O no hydrogen 2.683 N/A LEU 956.A N LEU 952.A O no hydrogen 3.313 N/A SER 958.A OG LEU 956.A O no hydrogen 3.000 N/A THR 959.A OG1 GLY 910.A O no hydrogen 2.725 N/A ASN 962.A N ASP 964.A O no hydrogen 2.856 N/A GLU 966.A N ASN 962.A OD1 no hydrogen 2.931 N/A ASP 970.A N LYS 974.A O no hydrogen 3.488 N/A GLY 973.A N ASP 970.A O no hydrogen 3.181 N/A GLY 973.A N ASP 970.A OD1 no hydrogen 2.829 N/A LYS 974.A N ASP 970.A OD1 no hydrogen 2.607 N/A SER 975.A N VAL 990.A O no hydrogen 2.623 N/A SER 975.A OG MET 968.A O no hydrogen 2.903 N/A PHE 978.A N PHE 873.A O no hydrogen 2.924 N/A ASP 979.A N GLU 984.A O no hydrogen 3.234 N/A GLY 980.A N MET 871.A O no hydrogen 3.188 N/A ARG 981.A N ASP 979.A OD1 no hydrogen 3.034 N/A ARG 981.A NH1 GLU 694.A OE1 no hydrogen 2.973 N/A GLU 984.A N SER 982.A OG no hydrogen 3.114 N/A PHE 986.A N LEU 977.A O no hydrogen 3.052 N/A VAL 990.A N SER 975.A O no hydrogen 2.918 N/A GLY 993.A N VAL 688.A O no hydrogen 3.139 N/A TYR 994.A N THR 901.A O no hydrogen 3.227 N/A TYR 996.A N GLU 900.A OE1 no hydrogen 2.808 N/A TYR 996.A OH GLU 589.A O no hydrogen 3.293 N/A TYR 996.A OH GLY 683.A O no hydrogen 3.015 N/A LEU 998.A N ALA 853.A O no hydrogen 2.588 N/A LYS 999.A NZ LEU 714.A O no hydrogen 3.404 N/A LYS 999.A NZ SER 716.A OG no hydrogen 2.919 N/A LEU 1000.A N LYS 851.A O no hydrogen 3.101 N/A VAL 1004.A N ASP 850.A OD1 no hydrogen 2.756 N/A LYS 1007.A N LEU 1003.A O no hydrogen 3.070 N/A ILE 1008.A N VAL 1004.A O no hydrogen 2.899 N/A ARG 1011.A NH1 PHE 1030.A O no hydrogen 2.760 N/A THR 1013.A OG1 SER 1012.A O no hydrogen 2.750 N/A SER 1017.A N GLN 1022.A O no hydrogen 3.464 N/A THR 1020.A OG1 ASP 1061.A OD1 no hydrogen 3.434 N/A GLY 1031.A N GLY 1026.A O no hydrogen 3.126 N/A GLU 1039.A N GLU 1039.A OE1 no hydrogen 2.798 N/A CYS 1040.A N GLY 1036.A O no hydrogen 3.261 N/A CYS 1040.A SG GLY 1036.A O no hydrogen 3.294 N/A TRP 1041.A N GLU 1037.A O no hydrogen 3.334 N/A MET 1043.A N GLU 1039.A O no hydrogen 3.218 N/A GLN 1044.A N CYS 1040.A O no hydrogen 2.831 N/A ALA 1045.A N TRP 1041.A O no hydrogen 2.733 N/A TYR 1046.A N ALA 1042.A O no hydrogen 3.349 N/A GLY 1047.A N MET 1043.A O no hydrogen 2.819 N/A ALA 1048.A N MET 1043.A O no hydrogen 3.143 N/A LEU 1052.A N ALA 1048.A O no hydrogen 2.905 N/A GLN 1053.A N ALA 1049.A O no hydrogen 2.867 N/A GLU 1054.A N TYR 1050.A O no hydrogen 2.823 N/A LEU 1055.A N THR 1051.A O no hydrogen 2.795 N/A LEU 1056.A N LEU 1052.A O no hydrogen 3.138 N/A THR 1057.A OG1 GLN 1053.A O no hydrogen 2.517 N/A LYS 1059.A N GLU 1054.A O no hydrogen 2.989 N/A SER 1060.A OG ASP 1061.A OD2 no hydrogen 2.906 N/A ASP 1062.A N THR 1057.A O no hydrogen 2.775 N/A ARG 1066.A N ASP 1062.A O no hydrogen 2.887 N/A LYS 1068.A N VAL 1064.A O no hydrogen 3.354 N/A VAL 1069.A N GLY 1065.A O no hydrogen 2.745 N/A GLU 1071.A N VAL 1067.A O no hydrogen 3.223 N/A ALA 1072.A N LYS 1068.A O no hydrogen 2.686 N/A ILE 1073.A N VAL 1069.A O no hydrogen 3.318 N/A VAL 1074.A N TYR 1070.A O no hydrogen 3.346 N/A GLY 1076.A N ALA 1072.A O no hydrogen 2.796 N/A GLU 1077.A N ALA 1072.A O no hydrogen 2.791 N/A LYS 1089.A N PRO 1085.A O no hydrogen 3.076 N/A LYS 1089.A NZ GLU 1086.A OE1 no hydrogen 3.262 N/A VAL 1090.A N GLU 1086.A O no hydrogen 2.619 N/A LEU 1091.A N SER 1087.A O no hydrogen 3.172 N/A LEU 1092.A N PHE 1088.A O no hydrogen 2.675 N/A LYS 1093.A N LYS 1089.A O no hydrogen 3.261 N/A GLU 1094.A N VAL 1090.A O no hydrogen 2.621 N/A LEU 1095.A N LEU 1091.A O no hydrogen 3.073 N/A GLN 1096.A N LEU 1092.A O no hydrogen 3.226 N/A SER 1097.A N LYS 1093.A O no hydrogen 3.096 N/A SER 1097.A OG LYS 1093.A O no hydrogen 2.851 N/A LEU 1098.A N LEU 1095.A O no hydrogen 3.212 N/A CYS 1099.A N GLN 1096.A O no hydrogen 3.223 N/A LEU 1100.A N LEU 1095.A O no hydrogen 3.290 N/A ASN 1101.A ND2 GLU 1103.A OE2 no hydrogen 2.756 N/A