Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6xbw_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 9.A OG1 GLU 76.A OE1 no hydrogen 2.330 N/A TYR 10.A N CYS 75.A O no hydrogen 2.795 N/A THR 12.A OG1 ASP 24.A O no hydrogen 2.408 N/A SER 14.A N ILE 22.A O no hydrogen 2.680 N/A SER 14.A OG ILE 22.A O no hydrogen 3.341 N/A GLY 15.A N ILE 22.A O no hydrogen 3.341 N/A ASN 17.A N LEU 20.A O no hydrogen 3.206 N/A LEU 20.A N ASN 17.A O no hydrogen 3.162 N/A VAL 21.A N VAL 59.A O no hydrogen 2.641 N/A ILE 22.A N GLY 15.A O no hydrogen 2.670 N/A LEU 23.A N ALA 57.A O no hydrogen 2.976 N/A ASP 24.A N THR 12.A O no hydrogen 3.238 N/A HIS 25.A N ASP 24.A OD1 no hydrogen 2.976 N/A HIS 25.A N SER 55.A OG no hydrogen 2.941 N/A VAL 26.A N SER 55.A O no hydrogen 3.248 N/A LYS 27.A N TYR 10.A OH no hydrogen 3.021 N/A LYS 27.A NZ HIS 25.A O no hydrogen 3.471 N/A ARG 30.A N GLU 33.A OE1 no hydrogen 3.429 N/A VAL 35.A N GLY 47.A O no hydrogen 2.738 N/A HIS 36.A N GLU 76.A O no hydrogen 2.859 N/A LEU 37.A N ARG 45.A O no hydrogen 2.547 N/A THR 38.A N SER 74.A O no hydrogen 2.889 N/A LEU 39.A N THR 43.A O no hydrogen 2.952 N/A GLY 42.A N LEU 39.A O no hydrogen 3.125 N/A ARG 45.A N LEU 37.A O no hydrogen 2.856 N/A ARG 45.A NH1 SER 66.A O no hydrogen 3.227 N/A ARG 45.A NH2 SER 66.A O no hydrogen 2.803 N/A SER 46.A N GLU 63.A OE1 no hydrogen 3.203 N/A VAL 49.A N GLU 33.A O no hydrogen 3.021 N/A LEU 50.A N VAL 58.A O no hydrogen 2.545 N/A GLU 51.A N VAL 58.A O no hydrogen 3.123 N/A SER 53.A N LYS 56.A O no hydrogen 2.939 N/A SER 55.A OG ASP 24.A OD1 no hydrogen 2.977 N/A LYS 56.A N SER 53.A O no hydrogen 3.122 N/A LYS 56.A NZ SER 14.A OG no hydrogen 2.886 N/A ALA 57.A N LEU 23.A O no hydrogen 3.123 N/A VAL 58.A N GLU 51.A O no hydrogen 2.674 N/A VAL 59.A N VAL 21.A O no hydrogen 2.835 N/A GLN 60.A N GLN 48.A O no hydrogen 2.928 N/A VAL 61.A N PRO 19.A O no hydrogen 3.051 N/A PHE 62.A N SER 46.A O no hydrogen 3.074 N/A GLU 63.A N GLU 63.A OE1 no hydrogen 2.818 N/A ILE 68.A N THR 65.A O no hydrogen 3.188 N/A ALA 70.A N ASP 69.A OD1 no hydrogen 2.682 N/A LYS 71.A N ASP 69.A OD1 no hydrogen 3.463 N/A THR 73.A OG1 THR 38.A O no hydrogen 2.939 N/A SER 74.A N THR 38.A O no hydrogen 3.138 N/A CYS 75.A N TYR 10.A O no hydrogen 2.739 N/A GLU 76.A N HIS 36.A O no hydrogen 2.719 N/A PHE 77.A N LEU 8.A O no hydrogen 3.143 N/A THR 78.A N ILE 34.A O no hydrogen 3.239 N/A THR 84.A N LEU 114.A O no hydrogen 2.581 N/A VAL 86.A N ASP 112.A O no hydrogen 3.218 N/A SER 87.A OG GLU 111.A OE1 no hydrogen 3.154 N/A ASP 89.A N SER 87.A OG no hydrogen 2.789 N/A GLY 92.A N VAL 212.A O no hydrogen 2.431 N/A ARG 93.A NH1 PRO 106.A O no hydrogen 2.525 N/A ARG 93.A NH2 PRO 106.A O no hydrogen 2.974 N/A VAL 94.A N ASP 103.A OD2 no hydrogen 3.474 N/A PHE 95.A N LEU 214.A O no hydrogen 3.211 N/A ASN 96.A N LYS 100.A O no hydrogen 2.810 N/A ASN 96.A ND2 SER 98.A OG no hydrogen 3.425 N/A SER 98.A OG ASN 96.A OD1 no hydrogen 3.411 N/A LYS 100.A N ASN 96.A OD1 no hydrogen 2.559 N/A LYS 100.A NZ SER 98.A OG no hydrogen 2.458 N/A ILE 102.A N VAL 94.A O no hydrogen 2.831 N/A GLU 111.A N GLU 111.A OE1 no hydrogen 2.934 N/A PHE 113.A N ASP 112.A OD1 no hydrogen 2.964 N/A LEU 114.A N THR 84.A O no hydrogen 3.084 N/A GLN 124.A N ASN 122.A OD1 no hydrogen 3.320 N/A CYS 125.A N ASN 122.A O no hydrogen 3.405 N/A CYS 125.A SG ASN 122.A O no hydrogen 3.569 N/A ARG 126.A NH2 GLU 291.A O no hydrogen 3.272 N/A ILE 127.A N ARG 295.A O no hydrogen 2.764 N/A ILE 133.A N ILE 146.A O no hydrogen 3.362 N/A GLN 134.A N GLY 174.A O no hydrogen 2.860 N/A THR 135.A N ASP 141.A OD1 no hydrogen 3.008 N/A THR 135.A N ASP 141.A OD2 no hydrogen 3.009 N/A THR 135.A OG1 ASP 141.A OD1 no hydrogen 2.397 N/A GLY 136.A N ASP 141.A OD2 no hydrogen 2.800 N/A SER 138.A N GLN 420.A OE1 no hydrogen 3.393 N/A ILE 140.A N ILE 137.A O no hydrogen 3.071 N/A ASP 141.A N ILE 137.A O no hydrogen 2.605 N/A GLY 142.A N SER 138.A O no hydrogen 3.051 N/A ASN 144.A N ILE 140.A O no hydrogen 3.106 N/A ALA 147.A N GLN 150.A OE1 no hydrogen 3.400 N/A ARG 148.A NE MET 132.A O no hydrogen 3.346 N/A ARG 148.A NH2 MET 132.A O no hydrogen 3.502 N/A GLN 150.A NE2 GLU 329.A O no hydrogen 2.843 N/A GLN 150.A NE2 SER 354.A OG no hydrogen 3.370 N/A LYS 151.A N GLU 329.A OE1 no hydrogen 3.507 N/A LYS 151.A NZ GLU 329.A OE2 no hydrogen 3.352 N/A ILE 152.A N GLN 305.A O no hydrogen 3.059 N/A PHE 155.A N ILE 332.A O no hydrogen 2.604 N/A SER 156.A N LEU 309.A O no hydrogen 3.095 N/A SER 156.A OG ALA 157.A O no hydrogen 3.268 N/A SER 156.A OG HIS 162.A ND1 no hydrogen 3.255 N/A ALA 157.A N SER 156.A OG no hydrogen 2.615 N/A HIS 162.A N LEU 160.A O no hydrogen 2.783 N/A HIS 162.A ND1 LEU 160.A O no hydrogen 2.851 N/A ALA 166.A N HIS 162.A O no hydrogen 3.179 N/A ALA 167.A N ASN 163.A O no hydrogen 3.143 N/A GLN 168.A NE2 GLY 421.A O no hydrogen 3.428 N/A ILE 169.A N ILE 165.A O no hydrogen 3.286 N/A ARG 171.A N ALA 167.A O no hydrogen 3.210 N/A ARG 171.A N GLN 168.A O no hydrogen 2.923 N/A ARG 171.A NH1 ASP 202.A OD2 no hydrogen 2.735 N/A GLN 172.A N GLN 168.A O no hydrogen 3.158 N/A GLN 172.A NE2 GLU 424.A O no hydrogen 3.614 N/A GLY 174.A N GLN 134.A O no hydrogen 2.971 N/A LYS 178.A NZ GLU 131.A OE2 no hydrogen 2.445 N/A ASN 181.A ND2 GLU 245.A O no hydrogen 3.305 N/A ALA 183.A N HIS 247.A O no hydrogen 2.954 N/A ILE 184.A N ASN 211.A O no hydrogen 2.675 N/A VAL 185.A N LEU 249.A O no hydrogen 3.193 N/A ALA 187.A N ILE 251.A O no hydrogen 2.950 N/A ALA 188.A N PHE 215.A O no hydrogen 2.684 N/A MET 189.A N THR 253.A O no hydrogen 2.482 N/A VAL 191.A N ASN 217.A O no hydrogen 3.196 N/A THR 195.A OG1 ASN 192.A OD1 no hydrogen 3.084 N/A ALA 196.A N ASN 192.A O no hydrogen 3.257 N/A ARG 197.A N MET 193.A O no hydrogen 3.048 N/A ARG 197.A NH2 GLU 194.A OE2 no hydrogen 2.585 N/A PHE 198.A N GLU 194.A O no hydrogen 3.024 N/A PHE 199.A N THR 195.A O no hydrogen 3.222 N/A LYS 200.A N ALA 196.A O no hydrogen 3.393 N/A SER 201.A N ARG 197.A O no hydrogen 3.176 N/A SER 201.A OG ARG 197.A O no hydrogen 2.992 N/A ASP 202.A N PHE 199.A O no hydrogen 3.301 N/A PHE 203.A N PHE 199.A O no hydrogen 3.241 N/A ASN 206.A N PHE 203.A O no hydrogen 3.025 N/A ASN 206.A ND2 ASN 206.A O no hydrogen 2.668 N/A GLY 207.A N GLU 204.A O no hydrogen 3.193 N/A SER 208.A OG ARG 171.A O no hydrogen 3.172 N/A ASN 211.A N SER 208.A O no hydrogen 3.133 N/A CYS 213.A N ILE 184.A O no hydrogen 2.797 N/A CYS 213.A SG MET 90.A O no hydrogen 3.218 N/A CYS 213.A SG CYS 213.A O no hydrogen 2.937 N/A PHE 215.A N PHE 186.A O no hydrogen 2.508 N/A LEU 216.A N PHE 95.A O no hydrogen 2.734 N/A LEU 218.A N ASP 221.A OD2 no hydrogen 3.105 N/A THR 223.A OG1 GLU 264.A OE2 no hydrogen 3.487 N/A GLU 225.A N PRO 222.A O no hydrogen 3.241 N/A ARG 226.A N THR 223.A O no hydrogen 3.321 N/A ARG 226.A NH1 SER 257.A O no hydrogen 3.338 N/A ILE 227.A N ILE 224.A O no hydrogen 3.217 N/A THR 229.A OG1 GLU 225.A O no hydrogen 2.310 N/A ARG 231.A NH2 THR 288.A OG1 no hydrogen 3.156 N/A LEU 232.A N ILE 228.A O no hydrogen 2.991 N/A ALA 233.A N THR 229.A O no hydrogen 2.877 N/A LEU 234.A N PRO 230.A O no hydrogen 2.971 N/A THR 235.A N ARG 231.A O no hydrogen 3.264 N/A THR 235.A OG1 ARG 231.A O no hydrogen 2.318 N/A THR 236.A N LEU 232.A O no hydrogen 3.249 N/A THR 236.A OG1 ALA 233.A O no hydrogen 3.020 N/A ALA 237.A N ALA 233.A O no hydrogen 3.147 N/A GLU 238.A N THR 235.A O no hydrogen 3.284 N/A PHE 239.A N THR 235.A O no hydrogen 3.311 N/A LEU 240.A N THR 236.A O no hydrogen 3.177 N/A TYR 242.A OH GLU 238.A OE2 no hydrogen 3.039 N/A CYS 244.A SG PHE 239.A O no hydrogen 3.401 N/A LYS 246.A N LEU 240.A O no hydrogen 3.192 N/A LYS 246.A NZ GLU 88.A OE2 no hydrogen 2.515 N/A HIS 247.A N ASN 181.A O no hydrogen 2.859 N/A HIS 247.A ND1 SER 302.A OG no hydrogen 3.004 N/A VAL 248.A N SER 302.A O no hydrogen 3.089 N/A LEU 249.A N ALA 183.A O no hydrogen 3.141 N/A VAL 250.A N THR 304.A O no hydrogen 2.823 N/A ILE 251.A N VAL 185.A O no hydrogen 3.142 N/A LEU 252.A N ILE 306.A O no hydrogen 3.146 N/A THR 253.A N ALA 187.A O no hydrogen 3.106 N/A THR 253.A OG1 ASN 163.A OD1 no hydrogen 3.264 N/A ASP 254.A N MET 189.A O no hydrogen 3.081 N/A MET 255.A N ILE 308.A O no hydrogen 2.744 N/A SER 256.A OG THR 310.A O no hydrogen 2.466 N/A SER 257.A N ASP 254.A O no hydrogen 3.245 N/A TYR 258.A OH ASP 285.A OD1 no hydrogen 2.396 N/A ALA 259.A N SER 256.A O no hydrogen 3.410 N/A LEU 262.A N TYR 258.A O no hydrogen 2.971 N/A ARG 263.A N ALA 259.A O no hydrogen 2.693 N/A GLU 264.A N GLU 260.A O no hydrogen 3.013 N/A VAL 265.A N ALA 261.A O no hydrogen 3.368 N/A SER 266.A OG GLU 271.A OE1 no hydrogen 3.473 N/A ALA 267.A N ARG 263.A O no hydrogen 3.369 N/A ALA 268.A N GLU 264.A O no hydrogen 3.234 N/A ARG 269.A N VAL 265.A O no hydrogen 3.342 N/A ARG 269.A N SER 266.A O no hydrogen 3.293 N/A ARG 269.A NE GLU 271.A OE2 no hydrogen 3.396 N/A ARG 269.A NH2 GLU 271.A OE2 no hydrogen 3.314 N/A GLU 270.A N ALA 267.A O no hydrogen 3.243 N/A GLU 271.A N SER 266.A O no hydrogen 3.306 N/A GLY 274.A N PHE 278.A O no hydrogen 3.099 N/A PHE 278.A N ARG 275.A O no hydrogen 3.283 N/A ASP 285.A N TYR 281.A O no hydrogen 2.898 N/A LEU 286.A N MET 282.A O no hydrogen 2.777 N/A ALA 287.A N TYR 283.A O no hydrogen 3.275 N/A THR 288.A N THR 284.A O no hydrogen 3.095 N/A THR 288.A OG1 ASP 285.A O no hydrogen 2.811 N/A TYR 290.A N LEU 286.A O no hydrogen 3.099 N/A GLU 291.A N ALA 287.A O no hydrogen 3.348 N/A ARG 292.A NE GLU 238.A OE1 no hydrogen 3.049 N/A ARG 292.A NH1 ILE 116.A O no hydrogen 3.263 N/A ARG 292.A NH2 GLU 238.A OE1 no hydrogen 2.600 N/A GLY 294.A N ILE 303.A O no hydrogen 2.955 N/A ARG 295.A NH1 TYR 128.A O no hydrogen 2.716 N/A ARG 299.A NE TYR 242.A O no hydrogen 3.014 N/A SER 302.A OG HIS 247.A ND1 no hydrogen 3.004 N/A THR 304.A N VAL 248.A O no hydrogen 3.073 N/A THR 304.A OG1 GLN 150.A O no hydrogen 2.471 N/A GLN 305.A N GLN 150.A O no hydrogen 3.178 N/A GLN 305.A NE2 ILE 289.A O no hydrogen 2.932 N/A GLN 305.A NE2 ARG 292.A O no hydrogen 3.011 N/A ILE 306.A N VAL 250.A O no hydrogen 2.820 N/A ILE 308.A N LEU 252.A O no hydrogen 2.587 N/A LEU 309.A N ILE 154.A O no hydrogen 3.256 N/A THR 310.A OG1 ASP 254.A OD2 no hydrogen 3.214 N/A MET 311.A N SER 156.A O no hydrogen 2.885 N/A ASP 315.A N PRO 312.A O no hydrogen 3.247 N/A THR 317.A N ASP 315.A OD1 no hydrogen 3.367 N/A THR 317.A OG1 ASP 315.A OD1 no hydrogen 3.415 N/A ASP 322.A N HIS 318.A O no hydrogen 3.233 N/A LEU 323.A N PRO 319.A O no hydrogen 3.084 N/A GLY 325.A N ASP 322.A O no hydrogen 3.042 N/A TYR 326.A N ASP 322.A O no hydrogen 3.358 N/A THR 328.A N THR 324.A O no hydrogen 3.221 N/A THR 328.A OG1 THR 324.A O no hydrogen 2.371 N/A GLU 329.A N LYS 151.A O no hydrogen 3.038 N/A GLN 331.A NE2 PRO 351.A O no hydrogen 3.113 N/A ILE 332.A N PRO 153.A O no hydrogen 3.057 N/A TYR 333.A N SER 352.A OG no hydrogen 3.072 N/A VAL 334.A N PHE 155.A O no hydrogen 2.949 N/A ASP 335.A N PRO 346.A O no hydrogen 3.182 N/A ARG 336.A NH1 ALA 158.A O no hydrogen 3.300 N/A LEU 338.A N ASP 335.A OD2 no hydrogen 3.146 N/A ASN 340.A N ARG 336.A O no hydrogen 3.289 N/A GLN 342.A N HIS 339.A O no hydrogen 3.151 N/A ILE 343.A N LEU 338.A O no hydrogen 3.172 N/A TYR 344.A OH GLN 168.A OE1 no hydrogen 2.961 N/A ILE 347.A N PRO 345.A O no hydrogen 2.740 N/A ASN 348.A N ASN 348.A OD1 no hydrogen 2.556 N/A SER 352.A OG ASN 348.A O no hydrogen 2.648 N/A LEU 353.A N GLN 331.A O no hydrogen 3.016 N/A SER 354.A OG SER 145.A O no hydrogen 2.795 N/A ARG 355.A N GLU 329.A O no hydrogen 2.850 N/A MET 357.A N SER 354.A O no hydrogen 3.420 N/A SER 359.A OG PRO 129.A O no hydrogen 2.580 N/A ILE 361.A N MET 357.A O no hydrogen 3.514 N/A THR 366.A N GLY 362.A O no hydrogen 3.293 N/A THR 366.A OG1 ARG 367.A O no hydrogen 3.496 N/A THR 366.A OG1 HIS 370.A ND1 no hydrogen 2.992 N/A ARG 367.A N THR 366.A OG1 no hydrogen 2.640 N/A ARG 367.A NE ASP 369.A OD1 no hydrogen 2.716 N/A ARG 367.A NH1 ASP 433.A OD1 no hydrogen 3.392 N/A ARG 367.A NH2 ASP 369.A OD2 no hydrogen 3.439 N/A ARG 367.A NH2 ASP 433.A OD1 no hydrogen 3.163 N/A HIS 370.A ND1 THR 366.A OG1 no hydrogen 2.992 N/A ASP 372.A N ASP 369.A O no hydrogen 3.343 N/A VAL 373.A N ASP 369.A O no hydrogen 3.057 N/A SER 374.A OG HIS 370.A O no hydrogen 3.349 N/A ASN 375.A ND2 ALA 371.A O no hydrogen 2.834 N/A GLN 376.A N ASP 372.A O no hydrogen 3.024 N/A LEU 377.A N VAL 373.A O no hydrogen 2.955 N/A TYR 378.A N SER 374.A O no hydrogen 3.090 N/A ALA 379.A N ASN 375.A O no hydrogen 3.335 N/A CYS 380.A N GLN 376.A O no hydrogen 2.960 N/A CYS 380.A SG GLN 376.A O no hydrogen 3.245 N/A TYR 381.A N LEU 377.A O no hydrogen 3.330 N/A TYR 381.A OH GLU 414.A OE2 no hydrogen 2.494 N/A ALA 382.A N TYR 378.A O no hydrogen 3.193 N/A ILE 383.A N ALA 379.A O no hydrogen 2.995 N/A GLY 384.A N CYS 380.A O no hydrogen 2.860 N/A LYS 385.A N TYR 381.A O no hydrogen 3.023 N/A LYS 385.A NZ GLU 414.A OE2 no hydrogen 2.975 N/A ASP 386.A N ILE 383.A O no hydrogen 3.105 N/A VAL 387.A N ILE 383.A O no hydrogen 3.158 N/A LYS 391.A N VAL 387.A O no hydrogen 3.397 N/A ALA 392.A N ALA 389.A O no hydrogen 3.180 N/A VAL 393.A N ALA 389.A O no hydrogen 3.201 N/A VAL 394.A N MET 390.A O no hydrogen 3.031 N/A GLY 395.A N MET 390.A O no hydrogen 3.168 N/A SER 401.A N THR 400.A OG1 no hydrogen 2.502 N/A LEU 404.A N THR 400.A O no hydrogen 3.132 N/A LEU 405.A N SER 401.A O no hydrogen 3.249 N/A LEU 405.A N ASP 402.A O no hydrogen 3.120 N/A TYR 406.A N ASP 402.A O no hydrogen 3.253 N/A LEU 407.A N ASP 403.A O no hydrogen 3.300 N/A GLU 408.A N LEU 404.A O no hydrogen 3.166 N/A PHE 409.A N LEU 405.A O no hydrogen 3.033 N/A LEU 410.A N TYR 406.A O no hydrogen 3.231 N/A GLN 411.A N LEU 407.A O no hydrogen 3.386 N/A LYS 412.A N PHE 409.A O no hydrogen 3.165 N/A PHE 413.A N PHE 409.A O no hydrogen 2.722 N/A GLU 414.A N LEU 410.A O no hydrogen 3.281 N/A ARG 415.A NH1 GLN 342.A O no hydrogen 3.322 N/A ARG 415.A NH2 ARG 341.A O no hydrogen 3.188 N/A ASN 416.A N LYS 412.A O no hydrogen 2.988 N/A PHE 417.A N PHE 413.A O no hydrogen 3.246 N/A ILE 418.A N PHE 413.A O no hydrogen 3.124 N/A GLN 420.A N TYR 344.A O no hydrogen 3.040 N/A GLN 420.A NE2 GLY 136.A O no hydrogen 3.022 N/A ARG 426.A NE GLU 424.A OE2 no hydrogen 2.426 N/A ARG 426.A NH1 SER 138.A OG no hydrogen 2.916 N/A ARG 426.A NH1 ASN 416.A O no hydrogen 3.043 N/A ARG 426.A NH1 PHE 417.A O no hydrogen 2.884 N/A ARG 426.A NH2 ASN 416.A O no hydrogen 2.811 N/A ARG 426.A NH2 ALA 419.A O no hydrogen 3.308 N/A VAL 428.A N GLN 134.A OE1 no hydrogen 2.627 N/A GLU 430.A N THR 427.A OG1 no hydrogen 3.311 N/A THR 431.A N THR 427.A O no hydrogen 2.883 N/A THR 431.A OG1 THR 427.A O no hydrogen 2.667 N/A LEU 432.A N VAL 428.A O no hydrogen 3.454 N/A ASP 433.A N TYR 429.A O no hydrogen 3.183 N/A ILE 434.A N GLU 430.A O no hydrogen 3.253 N/A GLY 435.A N THR 431.A O no hydrogen 3.053 N/A TRP 436.A N LEU 432.A O no hydrogen 2.896 N/A TRP 436.A NE1 ASP 369.A OD2 no hydrogen 2.423 N/A GLN 437.A N ASP 433.A O no hydrogen 3.141 N/A LEU 438.A N ILE 434.A O no hydrogen 3.232 N/A LEU 439.A N GLY 435.A O no hydrogen 3.250 N/A ARG 440.A NE PHE 458.A O no hydrogen 3.515 N/A ARG 440.A NH2 PHE 458.A O no hydrogen 3.415 N/A PHE 442.A N LEU 439.A O no hydrogen 3.326 N/A LYS 448.A N MET 446.A O no hydrogen 2.981 N/A ARG 449.A N GLN 376.A OE1 no hydrogen 3.121 N/A ILE 450.A N LEU 447.A O no hydrogen 3.492 N/A THR 454.A N PRO 451.A O no hydrogen 3.391 N/A LEU 455.A N PRO 451.A O no hydrogen 3.066 N/A SER 456.A OG GLN 452.A O no hydrogen 3.080 N/A SER 456.A OG GLU 457.A OE1 no hydrogen 2.578 N/A TYR 459.A OH PHE 442.A O no hydrogen 2.929 N/A