Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2rfw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N CYS 68.A O no hydrogen 3.135 N/A ARG 1.A NH2 LYS 67.A O no hydrogen 3.450 N/A GLY 3.A N ILE 70.A O no hydrogen 3.071 N/A GLU 5.A N GLU 71.A OE1 no hydrogen 3.411 N/A THR 6.A N GLU 71.A OE1 no hydrogen 3.121 N/A HIS 10.A NE2 ARG 165.A O no hydrogen 3.044 N/A THR 14.A N GLY 86.A O no hydrogen 2.849 N/A TRP 15.A N VAL 27.A O no hydrogen 3.420 N/A GLN 16.A N ILE 418.A O no hydrogen 3.118 N/A ARG 17.A N GLN 25.A O no hydrogen 3.460 N/A CYS 18.A N PHE 420.A O no hydrogen 3.125 N/A ASN 23.A N ALA 20.A O no hydrogen 2.785 N/A GLN 25.A N ARG 17.A O no hydrogen 3.314 N/A THR 26.A N GLN 25.A OE1 no hydrogen 3.319 N/A VAL 27.A N TRP 15.A O no hydrogen 2.498 N/A ALA 29.A N LEU 13.A O no hydrogen 2.523 N/A VAL 31.A N PRO 11.A O no hydrogen 2.933 N/A VAL 32.A N TYR 108.A O no hydrogen 3.058 N/A ASP 34.A N ARG 106.A O no hydrogen 3.148 N/A ALA 35.A N GLY 167.A O no hydrogen 2.990 N/A ASN 36.A N ASP 34.A OD2 no hydrogen 2.562 N/A ASN 36.A ND2 ASP 178.A O no hydrogen 3.190 N/A TRP 37.A N ASP 34.A O no hydrogen 3.405 N/A TRP 37.A NE1 GLY 104.A O no hydrogen 3.133 N/A ARG 38.A N ALA 35.A O no hydrogen 3.296 N/A ARG 38.A NH1 GLU 8.A OE2 no hydrogen 2.811 N/A ARG 38.A NH1 GLU 71.A O no hydrogen 2.733 N/A ARG 38.A NH2 GLU 8.A OE1 no hydrogen 3.125 N/A ARG 38.A NH2 GLU 8.A OE2 no hydrogen 3.448 N/A ARG 38.A NH2 ILE 33.A O no hydrogen 3.367 N/A HIS 41.A N MET 69.A O no hydrogen 2.983 N/A HIS 41.A NE2 GLU 71.A OE2 no hydrogen 3.263 N/A ASP 42.A N GLN 46.A O no hydrogen 3.180 N/A ASN 44.A N ASP 42.A OD2 no hydrogen 2.694 N/A MET 45.A N ASP 42.A O no hydrogen 3.412 N/A CYS 48.A N LEU 40.A O no hydrogen 3.084 N/A ASP 50.A N GLN 53.A O no hydrogen 2.911 N/A ASN 52.A ND2 ASP 197.A O no hydrogen 3.022 N/A GLN 53.A N ASP 50.A O no hydrogen 3.127 N/A THR 55.A OG1 ASN 47.A O no hydrogen 2.590 N/A ALA 57.A N THR 55.A OG1 no hydrogen 3.036 N/A THR 60.A N ASP 63.A OD2 no hydrogen 3.043 N/A ALA 61.A N GLU 189.A OE1 no hydrogen 3.060 N/A ASP 63.A N THR 60.A OG1 no hydrogen 3.312 N/A CYS 64.A N THR 60.A O no hydrogen 3.386 N/A CYS 64.A SG THR 60.A O no hydrogen 3.335 N/A GLU 66.A N THR 62.A O no hydrogen 3.254 N/A GLU 66.A N ASP 63.A O no hydrogen 2.833 N/A LYS 67.A N CYS 64.A O no hydrogen 3.077 N/A LYS 67.A NZ ASP 63.A O no hydrogen 3.319 N/A CYS 68.A N CYS 64.A O no hydrogen 2.845 N/A CYS 68.A SG CYS 64.A O no hydrogen 3.266 N/A MET 69.A N HIS 41.A O no hydrogen 3.183 N/A ILE 70.A N ARG 1.A O no hydrogen 3.317 N/A GLY 72.A N THR 6.A O no hydrogen 3.049 N/A GLY 72.A N GLU 71.A OE1 no hydrogen 3.400 N/A TYR 76.A OH GLU 8.A OE1 no hydrogen 2.649 N/A LEU 77.A N ASP 75.A OD2 no hydrogen 2.798 N/A GLY 78.A N ASP 75.A OD2 no hydrogen 2.843 N/A TYR 80.A OH TRP 37.A O no hydrogen 2.867 N/A GLY 81.A N LEU 77.A O no hydrogen 3.019 N/A ALA 82.A N TYR 76.A O no hydrogen 2.762 N/A SER 83.A N THR 90.A O no hydrogen 3.484 N/A SER 83.A OG GLY 81.A O no hydrogen 3.355 N/A THR 84.A OG1 PRO 12.A O no hydrogen 3.491 N/A SER 85.A N ALA 88.A O no hydrogen 3.257 N/A ALA 88.A N SER 85.A O no hydrogen 3.247 N/A THR 90.A N SER 83.A O no hydrogen 2.616 N/A LYS 92.A N GLY 81.A O no hydrogen 3.026 N/A PHE 93.A N ALA 411.A O no hydrogen 2.492 N/A VAL 94.A N PRO 409.A O no hydrogen 3.009 N/A THR 95.A N ASN 102.A O no hydrogen 2.607 N/A HIS 97.A N GLY 100.A O no hydrogen 2.909 N/A GLY 100.A N HIS 97.A O no hydrogen 2.800 N/A ASN 102.A N THR 95.A O no hydrogen 2.880 N/A ASN 102.A ND2 THR 95.A OG1 no hydrogen 3.136 N/A GLY 104.A N PHE 93.A O no hydrogen 2.704 N/A ARG 106.A NH2 ASP 34.A OD1 no hydrogen 2.770 N/A PHE 107.A N MET 362.A O no hydrogen 2.761 N/A TYR 108.A N VAL 32.A O no hydrogen 2.998 N/A TYR 108.A OH ASP 34.A OD1 no hydrogen 2.297 N/A LEU 109.A N LEU 360.A O no hydrogen 2.788 N/A MET 110.A N GLU 30.A O no hydrogen 3.057 N/A ASP 114.A N GLY 112.A O no hydrogen 2.648 N/A LYS 115.A N GLY 112.A O no hydrogen 3.322 N/A LYS 115.A NZ ASN 111.A O no hydrogen 3.241 N/A TYR 116.A N GLU 150.A O no hydrogen 2.887 N/A TYR 116.A OH THR 168.A O no hydrogen 2.394 N/A GLN 117.A N LEU 109.A O no hydrogen 3.403 N/A GLN 117.A NE2 MET 118.A O no hydrogen 3.518 N/A PHE 119.A N MET 358.A O no hydrogen 2.985 N/A MET 122.A N LEU 354.A O no hydrogen 3.243 N/A GLY 123.A N PHE 291.A O no hydrogen 3.090 N/A ASN 124.A ND2 GLY 123.A O no hydrogen 2.497 N/A GLU 125.A N GLY 421.A O no hydrogen 2.874 N/A LEU 126.A N SER 289.A O no hydrogen 3.117 N/A ALA 127.A N ARG 419.A O no hydrogen 2.606 N/A PHE 128.A N VAL 287.A O no hydrogen 3.086 N/A ASP 129.A N SER 416.A O no hydrogen 2.612 N/A VAL 130.A N PHE 285.A O no hydrogen 3.106 N/A ASP 131.A N VAL 414.A O no hydrogen 2.753 N/A SER 133.A OG ASP 131.A OD1 no hydrogen 3.140 N/A THR 134.A OG1 GLN 412.A O no hydrogen 3.461 N/A VAL 135.A N LEU 132.A O no hydrogen 3.304 N/A CYS 137.A N GLU 136.A OE2 no hydrogen 2.768 N/A CYS 137.A SG GLU 136.A OE2 no hydrogen 3.386 N/A GLY 138.A N ASP 376.A OD2 no hydrogen 3.247 N/A ILE 139.A N GLU 136.A O no hydrogen 3.041 N/A ASN 140.A N TRP 365.A O no hydrogen 2.927 N/A SER 141.A N SER 217.A O no hydrogen 2.541 N/A SER 141.A OG SER 141.A O no hydrogen 2.663 N/A SER 141.A OG SER 217.A O no hydrogen 3.215 N/A SER 141.A OG SER 217.A OG no hydrogen 3.050 N/A ALA 142.A N SER 363.A O no hydrogen 2.814 N/A LEU 143.A N TRP 215.A O no hydrogen 2.655 N/A TYR 144.A N VAL 361.A O no hydrogen 2.884 N/A TYR 144.A OH TYR 170.A OH no hydrogen 2.892 N/A PHE 145.A N ILE 212.A O no hydrogen 2.740 N/A VAL 146.A N VAL 359.A O no hydrogen 3.105 N/A ALA 147.A N ALA 210.A O no hydrogen 3.429 N/A MET 148.A N VAL 146.A O no hydrogen 2.497 N/A GLY 152.A N GLU 149.A O no hydrogen 2.736 N/A MET 154.A N ASP 151.A O no hydrogen 3.410 N/A SER 156.A OG GLU 149.A OE1 no hydrogen 2.904 N/A TYR 157.A N GLY 153.A O no hydrogen 2.892 N/A SER 159.A OG GLY 184.A O no hydrogen 2.295 N/A ASN 160.A N TYR 157.A O no hydrogen 3.295 N/A ASN 160.A ND2 GLY 152.A O no hydrogen 3.470 N/A ASN 160.A ND2 THR 168.A OG1 no hydrogen 3.078 N/A ALA 162.A N ASN 160.A OD1 no hydrogen 2.654 N/A GLY 163.A N ASN 160.A OD1 no hydrogen 2.492 N/A ALA 164.A N ASP 151.A O no hydrogen 3.001 N/A TYR 166.A N GLY 163.A O no hydrogen 2.734 N/A GLY 167.A N ALA 164.A O no hydrogen 2.596 N/A THR 168.A N GLY 163.A O no hydrogen 3.234 N/A THR 168.A OG1 GLY 152.A O no hydrogen 2.508 N/A TYR 170.A OH TYR 144.A OH no hydrogen 2.892 N/A TYR 170.A OH ASP 172.A OD2 no hydrogen 2.890 N/A CYS 171.A SG ALA 147.A O no hydrogen 3.799 N/A CYS 171.A SG CYS 208.A O no hydrogen 3.267 N/A GLN 174.A N ASP 172.A OD1 no hydrogen 3.035 N/A CYS 175.A N ASP 172.A O no hydrogen 2.888 N/A ARG 177.A NH1 THR 239.A O no hydrogen 2.990 N/A ARG 177.A NH1 SER 247.A OG no hydrogen 2.788 N/A ARG 177.A NH2 GLY 203.A O no hydrogen 3.031 N/A LEU 179.A N ALA 176.A O no hydrogen 3.445 N/A LYS 180.A NZ ASN 36.A O no hydrogen 3.111 N/A VAL 182.A N LYS 185.A O no hydrogen 2.497 N/A GLY 183.A N TYR 234.A OH no hydrogen 3.103 N/A LYS 185.A N VAL 182.A O no hydrogen 2.889 N/A ASN 187.A N LYS 180.A O no hydrogen 3.196 N/A ASN 187.A ND2 LEU 179.A O no hydrogen 3.283 N/A ASN 187.A ND2 TYR 205.A O no hydrogen 2.803 N/A TRP 191.A N ILE 188.A O no hydrogen 2.499 N/A TRP 191.A NE1 TYR 49.A OH no hydrogen 3.123 N/A LYS 192.A N VAL 202.A O no hydrogen 2.609 N/A SER 193.A OG ASN 52.A O no hydrogen 3.125 N/A SER 194.A N ALA 200.A O no hydrogen 3.092 N/A SER 194.A OG ASP 197.A OD2 no hydrogen 3.085 N/A SER 194.A OG ALA 200.A O no hydrogen 2.942 N/A ASN 199.A N ASP 197.A OD1 no hydrogen 2.500 N/A GLY 203.A N ARG 177.A O no hydrogen 3.156 N/A SER 207.A OG TYR 170.A O no hydrogen 2.437 N/A CYS 208.A N HIS 235.A O no hydrogen 3.184 N/A CYS 209.A SG ALA 210.A O no hydrogen 3.747 N/A ALA 210.A N ASN 232.A O no hydrogen 2.676 N/A GLU 211.A N HIS 227.A O no hydrogen 2.945 N/A ILE 212.A N PHE 145.A O no hydrogen 2.931 N/A ASP 213.A N THR 225.A O no hydrogen 2.956 N/A TRP 215.A N LEU 143.A O no hydrogen 2.919 N/A GLU 216.A N ALA 223.A O no hydrogen 3.381 N/A SER 217.A N ASN 140.A OD1 no hydrogen 2.823 N/A SER 217.A OG SER 141.A O no hydrogen 2.834 N/A SER 217.A OG SER 141.A OG no hydrogen 3.050 N/A ASN 218.A N ALA 221.A O no hydrogen 3.353 N/A ALA 219.A N VAL 135.A O no hydrogen 3.316 N/A TYR 220.A N ASN 218.A OD1 no hydrogen 2.584 N/A PHE 224.A N TYR 262.A O no hydrogen 2.983 N/A THR 225.A N ASP 213.A O no hydrogen 2.837 N/A HIS 227.A ND1 ASP 256.A O no hydrogen 3.130 N/A CYS 229.A N ASN 232.A OD1 no hydrogen 2.916 N/A CYS 229.A SG CYS 209.A O no hydrogen 3.322 N/A THR 230.A N LYS 254.A O no hydrogen 3.141 N/A ASN 232.A N GLU 233.A OE2 no hydrogen 2.647 N/A ASN 232.A ND2 GLN 349.A OE1 no hydrogen 3.592 N/A HIS 235.A N CYS 208.A O no hydrogen 3.028 N/A THR 239.A N PRO 204.A O no hydrogen 3.451 N/A ASN 241.A N GLU 238.A O no hydrogen 2.493 N/A ASN 241.A ND2 GLU 238.A O no hydrogen 2.997 N/A CYS 242.A N THR 239.A O no hydrogen 2.837 N/A GLY 244.A N ARG 250.A O no hydrogen 2.948 N/A THR 245.A OG1 GLN 174.A OE1 no hydrogen 3.457 N/A SER 247.A OG CYS 242.A O no hydrogen 3.330 N/A SER 247.A OG GLY 243.A O no hydrogen 2.926 N/A ARG 250.A NE ASN 258.A OD1 no hydrogen 2.520 N/A ARG 250.A NH1 THR 245.A OG1 no hydrogen 2.852 N/A ARG 250.A NH2 ASN 258.A OD1 no hydrogen 3.156 N/A PHE 251.A N ASP 249.A OD1 no hydrogen 3.041 N/A ALA 252.A N ASP 249.A O no hydrogen 3.374 N/A CYS 255.A SG CYS 209.A O no hydrogen 3.955 N/A ASN 258.A N ASP 256.A OD1 no hydrogen 2.941 N/A GLY 259.A N ASP 256.A OD1 no hydrogen 2.985 N/A TYR 262.A N PHE 224.A O no hydrogen 2.672 N/A TYR 262.A OH PRO 310.A O no hydrogen 3.017 N/A ASN 263.A ND2 ARG 391.A O no hydrogen 3.143 N/A TYR 265.A OH ASP 393.A OD1 no hydrogen 2.298 N/A ARG 266.A N ASN 263.A OD1 no hydrogen 2.497 N/A MET 267.A N ASN 263.A O no hydrogen 2.805 N/A MET 267.A N PRO 264.A O no hydrogen 2.788 N/A GLY 268.A N TYR 265.A O no hydrogen 3.323 N/A ASN 269.A N PRO 264.A O no hydrogen 3.293 N/A ASN 269.A ND2 PRO 311.A O no hydrogen 3.288 N/A TYR 273.A OH ASN 218.A O no hydrogen 2.495 N/A LYS 275.A NZ TYR 220.A OH no hydrogen 2.495 N/A GLY 276.A N ASP 280.A OD1 no hydrogen 3.097 N/A LYS 277.A N GLY 274.A O no hydrogen 3.264 N/A LEU 279.A N PHE 272.A O no hydrogen 2.799 N/A THR 281.A N GLY 274.A O no hydrogen 3.122 N/A THR 281.A OG1 ALA 219.A O no hydrogen 2.835 N/A SER 282.A N ASP 280.A OD1 no hydrogen 2.738 N/A PHE 285.A N VAL 130.A O no hydrogen 3.031 N/A THR 286.A N ILE 301.A O no hydrogen 2.499 N/A THR 286.A OG1 ASP 129.A OD1 no hydrogen 3.404 N/A THR 286.A OG1 ILE 301.A O no hydrogen 3.414 N/A VAL 287.A N PHE 128.A O no hydrogen 2.998 N/A VAL 288.A N TYR 299.A O no hydrogen 3.024 N/A SER 289.A N LEU 126.A O no hydrogen 2.933 N/A ARG 290.A N SER 297.A O no hydrogen 2.499 N/A ARG 290.A NE GLU 125.A OE2 no hydrogen 2.986 N/A PHE 291.A N ASN 124.A O no hydrogen 3.057 N/A GLU 292.A N LYS 295.A O no hydrogen 2.732 N/A LYS 295.A NZ GLU 322.A OE2 no hydrogen 2.557 N/A LEU 296.A N ILE 323.A O no hydrogen 3.035 N/A SER 297.A N ARG 290.A O no hydrogen 2.669 N/A GLN 298.A NE2 VAL 214.A O no hydrogen 3.010 N/A TYR 299.A N VAL 288.A O no hydrogen 3.238 N/A PHE 300.A N ILE 307.A O no hydrogen 2.770 N/A ILE 301.A N THR 286.A O no hydrogen 2.830 N/A GLN 302.A N ARG 305.A O no hydrogen 3.147 N/A GLN 302.A NE2 ASP 280.A O no hydrogen 2.500 N/A GLN 302.A NE2 LYS 284.A O no hydrogen 3.318 N/A LYS 306.A NZ GLU 308.A OE2 no hydrogen 3.387 N/A LYS 306.A NZ PHE 429.A O no hydrogen 3.353 N/A ILE 307.A N PHE 300.A O no hydrogen 2.810 N/A THR 313.A N MET 267.A O no hydrogen 3.041 N/A THR 313.A OG1 GLY 268.A O no hydrogen 3.282 N/A TRP 314.A NE1 ARG 266.A O no hydrogen 2.828 N/A MET 317.A N TRP 314.A O no hydrogen 2.949 N/A SER 321.A OG ILE 309.A O no hydrogen 2.299 N/A ILE 323.A N LEU 296.A O no hydrogen 3.028 N/A THR 324.A OG1 GLU 326.A OE1 no hydrogen 2.299 N/A LEU 327.A N THR 324.A OG1 no hydrogen 3.016 N/A CYS 328.A N THR 324.A O no hydrogen 3.171 N/A CYS 328.A SG THR 324.A O no hydrogen 3.763 N/A SER 329.A N PRO 325.A O no hydrogen 3.155 N/A SER 329.A OG PRO 325.A O no hydrogen 2.308 N/A THR 330.A OG1 GLU 326.A O no hydrogen 2.799 N/A THR 330.A OG1 LEU 327.A O no hydrogen 2.866 N/A MET 331.A N LEU 327.A O no hydrogen 3.356 N/A PHE 332.A N SER 329.A O no hydrogen 3.123 N/A VAL 334.A N THR 330.A O no hydrogen 3.271 N/A PHE 335.A N MET 331.A O no hydrogen 2.846 N/A ASN 336.A ND2 PHE 332.A O no hydrogen 3.398 N/A ARG 340.A N ARG 338.A O no hydrogen 2.846 N/A ARG 340.A NH1 GLU 343.A OE1 no hydrogen 2.528 N/A ARG 340.A NH2 GLY 253.A O no hydrogen 2.850 N/A ARG 340.A NH2 CYS 255.A O no hydrogen 3.418 N/A GLU 343.A N ASN 339.A O no hydrogen 3.233 N/A VAL 344.A N ARG 340.A O no hydrogen 3.263 N/A VAL 344.A N PHE 341.A O no hydrogen 3.459 N/A GLY 345.A N GLU 342.A O no hydrogen 2.751 N/A GLY 346.A N GLU 342.A O no hydrogen 3.195 N/A GLN 349.A N GLY 345.A O no hydrogen 3.301 N/A GLN 349.A NE2 VAL 344.A O no hydrogen 2.744 N/A LEU 350.A N GLY 346.A O no hydrogen 3.303 N/A ASN 351.A N PHE 347.A O no hydrogen 2.496 N/A ASN 352.A N GLU 348.A O no hydrogen 3.064 N/A ALA 353.A N GLN 349.A O no hydrogen 3.068 N/A LEU 354.A N LEU 350.A O no hydrogen 3.179 N/A ARG 355.A N ASN 352.A O no hydrogen 2.546 N/A VAL 356.A N ALA 353.A O no hydrogen 2.959 N/A MET 358.A N PHE 119.A O no hydrogen 3.135 N/A VAL 359.A N VAL 146.A O no hydrogen 2.940 N/A VAL 361.A N TYR 144.A O no hydrogen 2.957 N/A MET 362.A N PHE 107.A O no hydrogen 2.735 N/A SER 363.A N ALA 142.A O no hydrogen 2.846 N/A ILE 364.A N SER 105.A O no hydrogen 2.693 N/A TYR 369.A N ASP 367.A OD1 no hydrogen 3.204 N/A ALA 370.A N ASP 367.A OD1 no hydrogen 3.192 N/A ASN 371.A N ASP 367.A O no hydrogen 2.648 N/A ASN 371.A ND2 ASP 367.A O no hydrogen 2.768 N/A MET 372.A N ASP 367.A OD2 no hydrogen 3.167 N/A LEU 373.A N ALA 370.A O no hydrogen 2.999 N/A TRP 374.A NE1 ASP 367.A OD2 no hydrogen 2.661 N/A LEU 375.A N MET 372.A O no hydrogen 3.004 N/A ASP 376.A N MET 372.A O no hydrogen 3.236 N/A ASP 376.A N LEU 373.A O no hydrogen 3.217 N/A SER 377.A N LEU 373.A O no hydrogen 2.899 N/A SER 377.A OG CYS 394.A O no hydrogen 2.297 N/A TYR 379.A N ALA 389.A O no hydrogen 3.058 N/A ALA 389.A N GLN 386.A O no hydrogen 2.622 N/A ARG 391.A N SER 377.A O no hydrogen 2.495 N/A ARG 391.A NE TYR 379.A O no hydrogen 2.679 N/A ARG 391.A NH1 TRP 374.A O no hydrogen 2.496 N/A ARG 391.A NH2 TYR 379.A O no hydrogen 3.318 N/A CYS 394.A N ASP 376.A O no hydrogen 3.215 N/A SER 398.A OG PRO 395.A O no hydrogen 2.297 N/A GLU 403.A N VAL 400.A O no hydrogen 3.073 N/A VAL 404.A N VAL 400.A O no hydrogen 3.090 N/A GLU 405.A N PRO 401.A O no hydrogen 2.983 N/A GLN 407.A N VAL 404.A O no hydrogen 3.234 N/A PHE 408.A N VAL 404.A O no hydrogen 3.039 N/A ALA 411.A N PHE 408.A O no hydrogen 3.415 N/A VAL 413.A N LEU 91.A O no hydrogen 3.027 N/A VAL 414.A N ASP 131.A O no hydrogen 2.925 N/A TRP 415.A N LEU 89.A O no hydrogen 2.819 N/A SER 416.A N ASP 129.A O no hydrogen 3.016 N/A ASN 417.A N ASP 87.A OD2 no hydrogen 2.576 N/A ARG 419.A N ALA 127.A O no hydrogen 2.521 N/A ARG 419.A NE ASN 417.A OD1 no hydrogen 3.079 N/A ARG 419.A NH1 THR 426.A O no hydrogen 3.394 N/A PHE 420.A N GLN 16.A O no hydrogen 3.327 N/A GLY 421.A N GLU 125.A O no hydrogen 3.123 N/A GLY 424.A N GLU 125.A OE2 no hydrogen 3.019 N/A SER 425.A N PRO 422.A O no hydrogen 3.289 N/A SER 425.A OG CYS 18.A O no hydrogen 2.659 N/A SER 425.A OG PRO 422.A O no hydrogen 2.650 N/A THR 426.A N GLU 125.A OE1 no hydrogen 2.624 N/A THR 426.A OG1 GLU 125.A OE1 no hydrogen 2.495 N/A