Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4b3o_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 8.A N GLN 69.A OE1 no hydrogen 2.963 N/A LYS 10.A N LYS 67.A O no hydrogen 2.870 N/A LYS 10.A NZ ASP 70.A OD2 no hydrogen 2.877 N/A GLN 20.A NE2 TRP 21.A O no hydrogen 3.526 N/A LEU 31.A N LYS 27.A O no hydrogen 3.181 N/A VAL 32.A N ILE 28.A O no hydrogen 3.235 N/A CYS 35.A N LEU 31.A O no hydrogen 3.003 N/A CYS 35.A SG LEU 31.A O no hydrogen 3.320 N/A THR 36.A N VAL 32.A O no hydrogen 3.103 N/A THR 36.A OG1 VAL 32.A O no hydrogen 2.606 N/A MET 38.A N ILE 34.A O no hydrogen 3.135 N/A GLU 39.A N CYS 35.A O no hydrogen 2.984 N/A LYS 40.A N THR 36.A O no hydrogen 2.947 N/A GLU 41.A N GLU 37.A O no hydrogen 3.032 N/A GLY 42.A N MET 38.A O no hydrogen 3.193 N/A LYS 43.A N MET 38.A O no hydrogen 2.816 N/A ILE 44.A N MET 38.A O no hydrogen 3.464 N/A SER 45.A N GLN 129.A O no hydrogen 3.274 N/A ILE 47.A N ARG 127.A O no hydrogen 3.291 N/A ASN 51.A ND2 LYS 110.A O no hydrogen 2.743 N/A ASN 51.A ND2 GLN 129.A OE1 no hydrogen 3.542 N/A TYR 53.A N ASN 51.A OD1 no hydrogen 2.863 N/A ASN 54.A N PRO 16.A O no hydrogen 2.878 N/A THR 55.A N ASN 54.A OD1 no hydrogen 2.862 N/A THR 55.A OG1 ALA 113.A O no hydrogen 2.776 N/A VAL 57.A N GLN 20.A OE1 no hydrogen 2.956 N/A ASP 60.A N PRO 56.A O no hydrogen 3.130 N/A ASN 65.A N PHE 61.A O no hydrogen 3.059 N/A ASN 65.A ND2 GLY 136.A O no hydrogen 3.185 N/A LYS 67.A N LEU 64.A O no hydrogen 2.915 N/A THR 68.A N LEU 64.A O no hydrogen 2.773 N/A THR 68.A OG1 LEU 64.A O no hydrogen 2.577 N/A HIS 80.A NE2 GLN 253.A OE1 no hydrogen 2.831 N/A ALA 82.A N HIS 80.A ND1 no hydrogen 3.358 N/A GLY 83.A N HIS 80.A O no hydrogen 2.857 N/A LYS 87.A N PRO 220.A O no hydrogen 3.438 N/A LYS 88.A N SER 175.A O no hydrogen 2.988 N/A SER 89.A N SER 175.A O no hydrogen 3.149 N/A THR 91.A N VAL 173.A O no hydrogen 2.745 N/A THR 91.A OG1 HIS 182.A NE2 no hydrogen 2.717 N/A LEU 93.A N LEU 171.A O no hydrogen 2.905 N/A GLY 96.A N THR 199.A O no hydrogen 2.717 N/A SER 101.A OG ASP 97.A O no hydrogen 2.928 N/A SER 101.A OG ALA 98.A O no hydrogen 3.119 N/A LEU 104.A N ASN 131.A O no hydrogen 2.762 N/A PHE 108.A N ASP 105.A O no hydrogen 2.948 N/A ARG 109.A N ASP 105.A O no hydrogen 3.066 N/A ARG 109.A NE LEU 104.A O no hydrogen 3.020 N/A ARG 109.A NH1 GLU 106.A OE2 no hydrogen 3.477 N/A ARG 109.A NH2 LEU 104.A O no hydrogen 3.157 N/A LYS 110.A NZ TYR 111.A OH no hydrogen 3.013 N/A TYR 111.A N PHE 108.A O no hydrogen 3.050 N/A THR 112.A OG1 ARG 109.A O no hydrogen 2.764 N/A PHE 114.A N TYR 128.A O no hydrogen 2.942 N/A THR 115.A OG1 ASN 54.A OD1 no hydrogen 2.845 N/A ILE 116.A N ILE 126.A O no hydrogen 3.111 N/A ARG 127.A NH2 TYR 53.A O no hydrogen 3.005 N/A TYR 128.A N PHE 114.A O no hydrogen 3.118 N/A GLN 129.A N SER 45.A O no hydrogen 3.193 N/A ASN 131.A N LYS 43.A O no hydrogen 2.814 N/A ASN 131.A ND2 SER 45.A OG no hydrogen 2.788 N/A LEU 133.A N VAL 102.A O no hydrogen 3.187 N/A LYS 138.A N ASN 65.A OD1 no hydrogen 2.843 N/A LYS 138.A NZ GLN 69.A O no hydrogen 3.521 N/A LYS 138.A NZ ASP 70.A OD1 no hydrogen 2.808 N/A SER 140.A N TRP 137.A O no hydrogen 3.401 N/A SER 140.A OG PRO 134.A O no hydrogen 2.696 N/A ILE 143.A N GLY 139.A O no hydrogen 3.068 N/A PHE 144.A N SER 140.A O no hydrogen 3.259 N/A GLN 145.A N PRO 141.A O no hydrogen 3.303 N/A SER 146.A N ALA 142.A O no hydrogen 3.277 N/A SER 147.A N ILE 143.A O no hydrogen 2.835 N/A SER 147.A OG ILE 143.A O no hydrogen 2.932 N/A MET 148.A N PHE 144.A O no hydrogen 3.001 N/A THR 149.A N GLN 145.A O no hydrogen 2.888 N/A THR 149.A OG1 GLN 145.A O no hydrogen 2.604 N/A LYS 150.A NZ GLU 3.A OE1 no hydrogen 2.947 N/A LEU 152.A N MET 148.A O no hydrogen 3.007 N/A GLU 153.A N THR 149.A O no hydrogen 3.283 N/A ARG 156.A N LEU 152.A O no hydrogen 2.820 N/A ARG 156.A NH1 ILE 164.A O no hydrogen 3.166 N/A ARG 156.A NH2 ILE 164.A O no hydrogen 3.049 N/A LYS 157.A N GLU 153.A O no hydrogen 3.103 N/A LYS 157.A NZ GLU 153.A OE2 no hydrogen 3.234 N/A GLN 158.A N PRO 154.A O no hydrogen 3.150 N/A ASN 159.A N PHE 155.A O no hydrogen 2.855 N/A VAL 163.A N GLY 174.A O no hydrogen 2.867 N/A TYR 165.A N TYR 172.A O no hydrogen 2.743 N/A GLN 166.A NE2 THR 149.A OG1 no hydrogen 3.149 N/A TYR 167.A N ASP 170.A O no hydrogen 3.060 N/A LEU 171.A N LEU 93.A O no hydrogen 2.970 N/A TYR 172.A N TYR 165.A O no hydrogen 2.780 N/A VAL 173.A N THR 91.A O no hydrogen 2.814 N/A GLY 174.A N VAL 163.A O no hydrogen 2.922 N/A SER 175.A N SER 89.A O no hydrogen 3.123 N/A SER 175.A OG HIS 182.A ND1 no hydrogen 2.666 N/A HIS 182.A N GLU 178.A O no hydrogen 2.895 N/A HIS 182.A ND1 SER 175.A OG no hydrogen 2.666 N/A HIS 182.A NE2 THR 91.A OG1 no hydrogen 2.717 N/A ARG 183.A N ILE 179.A O no hydrogen 3.329 N/A THR 184.A OG1 GLY 180.A O no hydrogen 2.752 N/A LYS 185.A N GLN 181.A O no hydrogen 3.423 N/A ILE 186.A N HIS 182.A O no hydrogen 3.410 N/A GLU 188.A N THR 184.A O no hydrogen 3.353 N/A LEU 189.A N LYS 185.A O no hydrogen 3.139 N/A ARG 190.A N ILE 186.A O no hydrogen 2.955 N/A ARG 190.A NE THR 200.A OG1 no hydrogen 3.090 N/A ARG 190.A NH2 THR 200.A O no hydrogen 2.897 N/A GLN 191.A N GLU 187.A O no hydrogen 3.032 N/A HIS 192.A NE2 ILE 151.A O no hydrogen 2.763 N/A LEU 193.A N LEU 189.A O no hydrogen 3.090 N/A LEU 194.A N ARG 190.A O no hydrogen 2.852 N/A TRP 196.A N LEU 193.A O no hydrogen 3.220 N/A GLY 197.A N LEU 194.A O no hydrogen 3.229 N/A LEU 198.A N LEU 193.A O no hydrogen 2.985 N/A THR 199.A N GLY 96.A O no hydrogen 3.038 N/A THR 199.A OG1 ASP 97.A OD1 no hydrogen 3.146 N/A HIS 205.A N ASP 202.A O no hydrogen 2.882 N/A HIS 205.A ND1 ASP 202.A OD2 no hydrogen 2.964 N/A PHE 211.A N LEU 218.A O no hydrogen 3.381 N/A TRP 213.A N TYR 216.A O no hydrogen 2.917 N/A TYR 216.A N TRP 213.A O no hydrogen 2.833 N/A TYR 216.A OH GLN 253.A OE1 no hydrogen 2.668 N/A GLU 217.A N THR 224.A O no hydrogen 2.738 N/A LEU 218.A N PHE 211.A O no hydrogen 2.814 N/A HIS 219.A N LYS 222.A O no hydrogen 3.077 N/A HIS 219.A NE2 GLU 217.A OE2 no hydrogen 3.120 N/A TRP 223.A N GLY 300.A O no hydrogen 3.118 N/A THR 224.A N GLU 217.A O no hydrogen 3.153 N/A THR 224.A OG1 VAL 225.A O no hydrogen 3.301 N/A THR 224.A OG1 VAL 298.A O no hydrogen 3.158 N/A THR 237.A OG1 LEU 273.A O no hydrogen 3.214 N/A VAL 238.A N THR 237.A OG1 no hydrogen 2.679 N/A ILE 241.A N VAL 238.A O no hydrogen 3.271 N/A GLN 242.A N VAL 238.A O no hydrogen 3.354 N/A LYS 243.A N ASN 239.A O no hydrogen 2.839 N/A LEU 244.A N ASP 240.A O no hydrogen 3.037 N/A VAL 245.A N ILE 241.A O no hydrogen 2.783 N/A GLY 246.A N GLN 242.A O no hydrogen 3.181 N/A LYS 247.A N LYS 243.A O no hydrogen 3.360 N/A LYS 247.A NZ VAL 229.A O no hydrogen 3.516 N/A LEU 248.A N LEU 244.A O no hydrogen 3.090 N/A ASN 249.A N VAL 245.A O no hydrogen 2.832 N/A TRP 250.A N GLY 246.A O no hydrogen 3.330 N/A ALA 251.A N LYS 247.A O no hydrogen 3.017 N/A SER 252.A OG LEU 248.A O no hydrogen 2.684 N/A GLN 253.A NE2 TRP 250.A O no hydrogen 3.080 N/A ILE 254.A N ALA 251.A O no hydrogen 3.278 N/A TYR 255.A N ALA 251.A O no hydrogen 2.841 N/A ILE 258.A N PRO 256.A O no hydrogen 3.186 N/A LYS 259.A N ASN 290.A OD1 no hydrogen 3.407 N/A GLN 262.A N GLU 286.A OE2 no hydrogen 3.214 N/A CYS 264.A N VAL 260.A O no hydrogen 3.162 N/A CYS 264.A SG VAL 260.A O no hydrogen 3.151 N/A LYS 265.A N ARG 261.A O no hydrogen 2.934 N/A LYS 265.A NZ GLN 262.A OE1 no hydrogen 3.225 N/A LYS 265.A NZ GLN 318.A OE1 no hydrogen 3.128 N/A LEU 266.A N GLN 262.A O no hydrogen 3.329 N/A LEU 267.A N LEU 263.A O no hydrogen 3.233 N/A ALA 283.A N THR 280.A O no hydrogen 2.984 N/A GLU 284.A N THR 280.A O no hydrogen 3.003 N/A LEU 285.A N GLU 281.A O no hydrogen 3.115 N/A GLU 286.A N GLU 282.A O no hydrogen 3.473 N/A LEU 287.A N ALA 283.A O no hydrogen 3.241 N/A ALA 288.A N GLU 284.A O no hydrogen 2.839 N/A GLU 289.A N LEU 285.A O no hydrogen 3.341 N/A ASN 290.A N GLU 286.A O no hydrogen 3.321 N/A ASN 290.A ND2 LYS 259.A O no hydrogen 2.698 N/A ARG 291.A N LEU 287.A O no hydrogen 3.252 N/A ILE 293.A N GLU 289.A O no hydrogen 3.285 N/A LEU 294.A N ASN 290.A O no hydrogen 3.332 N/A LYS 295.A N GLU 292.A O no hydrogen 3.458 N/A LYS 295.A NZ GLU 292.A OE1 no hydrogen 3.314 N/A LYS 295.A NZ GLU 292.A OE2 no hydrogen 2.805 N/A GLY 300.A N TRP 223.A O no hydrogen 2.670 N/A VAL 301.A N ASN 332.A O no hydrogen 3.026 N/A TYR 302.A OH HIS 219.A O no hydrogen 2.682 N/A TYR 302.A OH LYS 222.A O no hydrogen 3.278 N/A TYR 303.A N LEU 84.A O no hydrogen 3.072 N/A ASP 304.A N GLN 327.A OE1 no hydrogen 2.899 N/A SER 306.A N ASP 304.A OD1 no hydrogen 3.302 N/A SER 306.A OG ASP 304.A OD1 no hydrogen 2.692 N/A LYS 307.A NZ GLU 328.A OE2 no hydrogen 2.953 N/A ILE 310.A N TYR 326.A O no hydrogen 2.998 N/A ALA 311.A N LYS 372.A O no hydrogen 2.945 N/A GLN 314.A N THR 322.A O no hydrogen 3.037 N/A GLN 314.A NE2 GLN 324.A OE1 no hydrogen 3.199 N/A LYS 315.A NZ GLY 317.A O no hydrogen 3.294 N/A LYS 315.A NZ ASP 348.A OD1 no hydrogen 2.798 N/A LYS 315.A NZ ASP 495.A OD2 no hydrogen 2.870 N/A GLN 316.A N GLN 320.A O no hydrogen 3.331 N/A TRP 321.A N TYR 338.A O no hydrogen 2.903 N/A THR 322.A N GLN 314.A O no hydrogen 3.012 N/A THR 322.A OG1 GLN 314.A O no hydrogen 3.544 N/A TYR 323.A OH GLU 362.A OE1 no hydrogen 2.705 N/A ILE 325.A N LYS 334.A O no hydrogen 2.878 N/A TYR 326.A N ILE 310.A O no hydrogen 2.868 N/A TYR 326.A OH GLU 312.A OE1 no hydrogen 2.917 N/A GLN 327.A NE2 ASP 304.A O no hydrogen 2.693 N/A LYS 331.A N GLU 328.A O no hydrogen 3.101 N/A LEU 333.A N ILE 325.A O no hydrogen 2.766 N/A LYS 334.A N ILE 325.A O no hydrogen 3.469 N/A LYS 334.A NZ THR 335.A O no hydrogen 3.352 N/A LYS 334.A NZ GLU 362.A OE2 no hydrogen 3.001 N/A THR 335.A N GLN 253.A O no hydrogen 2.827 N/A THR 335.A OG1 SER 252.A O no hydrogen 2.792 N/A GLY 336.A N TYR 323.A O no hydrogen 2.881 N/A LYS 337.A NZ ASN 249.A OD1 no hydrogen 2.945 N/A MET 341.A N ALA 339.A O no hydrogen 3.018 N/A GLY 343.A N MET 341.A O no hydrogen 2.574 N/A THR 346.A OG1 HIS 345.A O no hydrogen 2.727 N/A THR 346.A OG1 GLN 351.A OE1 no hydrogen 2.548 N/A LYS 350.A N ASN 347.A OD1 no hydrogen 2.668 N/A LYS 350.A NZ TYR 389.A OH no hydrogen 3.095 N/A LEU 352.A N ASP 348.A O no hydrogen 3.143 N/A THR 353.A N VAL 349.A O no hydrogen 3.080 N/A THR 353.A OG1 VAL 349.A O no hydrogen 2.729 N/A GLU 354.A N LYS 350.A O no hydrogen 2.820 N/A ALA 355.A N GLN 351.A O no hydrogen 3.180 N/A VAL 356.A N LEU 352.A O no hydrogen 3.005 N/A GLN 357.A N THR 353.A O no hydrogen 3.021 N/A ILE 359.A N ALA 355.A O no hydrogen 3.353 N/A THR 360.A N VAL 356.A O no hydrogen 2.956 N/A THR 360.A OG1 VAL 356.A O no hydrogen 2.622 N/A THR 361.A N GLN 357.A O no hydrogen 3.257 N/A THR 361.A OG1 GLN 357.A O no hydrogen 2.756 N/A GLU 362.A N LYS 358.A O no hydrogen 2.980 N/A SER 363.A N ILE 359.A O no hydrogen 2.811 N/A SER 363.A OG ILE 359.A O no hydrogen 2.943 N/A ILE 364.A N THR 360.A O no hydrogen 3.380 N/A VAL 365.A N THR 361.A O no hydrogen 3.396 N/A ILE 366.A N GLU 362.A O no hydrogen 3.096 N/A TRP 367.A N SER 363.A O no hydrogen 2.908 N/A TRP 367.A NE1 ALA 82.A O no hydrogen 3.008 N/A GLY 368.A N SER 363.A O no hydrogen 2.770 N/A LYS 369.A NZ LYS 307.A O no hydrogen 3.172 N/A LYS 372.A N LEU 309.A O no hydrogen 2.752 N/A PHE 373.A N GLU 397.A O no hydrogen 3.236 N/A LYS 374.A N ALA 311.A O no hydrogen 2.873 N/A LEU 375.A N GLU 399.A O no hydrogen 2.833 N/A TRP 382.A N GLN 378.A O no hydrogen 3.227 N/A GLU 383.A N LYS 379.A O no hydrogen 3.317 N/A THR 384.A OG1 GLU 380.A O no hydrogen 2.561 N/A TRP 385.A N THR 381.A O no hydrogen 3.166 N/A TRP 386.A N TRP 382.A O no hydrogen 3.367 N/A THR 387.A OG1 GLU 383.A O no hydrogen 2.674 N/A THR 387.A OG1 THR 384.A O no hydrogen 3.256 N/A TYR 389.A N TRP 385.A O no hydrogen 3.116 N/A GLU 399.A N PHE 373.A O no hydrogen 2.781 N/A VAL 401.A N LEU 375.A O no hydrogen 3.057 N/A VAL 407.A N PRO 376.A O no hydrogen 3.287 N/A TYR 411.A OH ILE 490.A O no hydrogen 3.132 N/A GLN 412.A NE2 GLU 388.A OE1 no hydrogen 3.082 N/A GLU 414.A N VAL 515.A O no hydrogen 2.807 N/A ILE 418.A N ASN 478.A OD1 no hydrogen 3.163 N/A THR 423.A N ASN 444.A OD1 no hydrogen 3.124 N/A PHE 424.A N ASN 478.A O no hydrogen 2.653 N/A TYR 425.A N VAL 442.A O no hydrogen 3.066 N/A VAL 426.A N VAL 480.A O no hydrogen 2.777 N/A ASP 427.A N GLY 440.A O no hydrogen 3.440 N/A GLY 428.A N GLU 462.A OE1 no hydrogen 2.954 N/A ALA 429.A N LYS 438.A O no hydrogen 3.142 N/A SER 431.A N LEU 436.A O no hydrogen 3.206 N/A SER 431.A OG GLU 433.A OE1 no hydrogen 2.733 N/A ARG 432.A NH1 GLU 433.A OE1 no hydrogen 3.392 N/A LYS 438.A N ALA 429.A O no hydrogen 2.901 N/A ALA 439.A N VAL 451.A O no hydrogen 3.324 N/A GLY 440.A N ASP 427.A O no hydrogen 3.390 N/A TYR 441.A OH ASP 472.A OD2 no hydrogen 2.909 N/A VAL 442.A N TYR 425.A O no hydrogen 2.945 N/A THR 443.A N ARG 447.A O no hydrogen 3.323 N/A THR 443.A OG1 ARG 447.A O no hydrogen 2.839 N/A GLY 446.A N THR 443.A OG1 no hydrogen 3.155 N/A LYS 449.A NZ ASP 472.A OD2 no hydrogen 2.885 N/A VAL 451.A N ALA 439.A O no hydrogen 3.123 N/A LEU 453.A N GLY 437.A O no hydrogen 2.977 N/A THR 456.A OG1 THR 457.A O no hydrogen 3.238 N/A ASN 458.A ND2 ALA 430.A O no hydrogen 3.124 N/A LYS 460.A N THR 457.A O no hydrogen 3.203 N/A THR 461.A N THR 457.A O no hydrogen 3.046 N/A THR 461.A OG1 THR 457.A O no hydrogen 3.129 N/A THR 461.A OG1 ASN 458.A O no hydrogen 3.131 N/A GLU 462.A N ASN 458.A O no hydrogen 3.386 N/A GLN 464.A N LYS 460.A O no hydrogen 2.867 N/A ALA 465.A N THR 461.A O no hydrogen 3.089 N/A LEU 468.A N GLN 464.A O no hydrogen 3.152 N/A ALA 469.A N ALA 465.A O no hydrogen 2.996 N/A LEU 470.A N ILE 466.A O no hydrogen 2.955 N/A GLN 471.A N HIS 467.A O no hydrogen 2.970 N/A ASP 472.A N LEU 468.A O no hydrogen 3.298 N/A SER 473.A OG ALA 469.A O no hydrogen 2.830 N/A VAL 477.A N LYS 514.A O no hydrogen 3.283 N/A ASN 478.A N GLU 422.A O no hydrogen 3.298 N/A ASN 478.A ND2 ILE 418.A O no hydrogen 2.830 N/A ILE 479.A N TYR 516.A O no hydrogen 2.952 N/A VAL 480.A N PHE 424.A O no hydrogen 2.800 N/A THR 481.A N ALA 518.A O no hydrogen 3.179 N/A THR 481.A OG1 GLU 462.A OE2 no hydrogen 3.014 N/A TYR 485.A N SER 483.A OG no hydrogen 3.268 N/A ALA 486.A N SER 483.A OG no hydrogen 3.341 N/A LEU 487.A N SER 483.A O no hydrogen 3.419 N/A GLY 488.A N GLN 484.A O no hydrogen 3.051 N/A ILE 489.A N TYR 485.A O no hydrogen 3.303 N/A GLN 491.A N LEU 487.A O no hydrogen 3.118 N/A ALA 492.A N ILE 489.A O no hydrogen 3.071 N/A VAL 502.A N SER 499.A O no hydrogen 3.403 N/A GLN 504.A N GLU 500.A O no hydrogen 3.329 N/A GLN 504.A N LEU 501.A O no hydrogen 3.202 N/A GLN 504.A NE2 GLU 500.A O no hydrogen 3.454 N/A ILE 505.A N LEU 501.A O no hydrogen 3.173 N/A ILE 506.A N VAL 502.A O no hydrogen 3.111 N/A GLU 507.A N ASN 503.A O no hydrogen 3.228 N/A GLN 508.A N GLN 504.A O no hydrogen 2.957 N/A GLN 508.A NE2 HIS 467.A O no hydrogen 3.503 N/A LEU 509.A N ILE 505.A O no hydrogen 2.990 N/A ILE 510.A N ILE 506.A O no hydrogen 3.366 N/A LYS 511.A N GLN 508.A O no hydrogen 3.250 N/A LYS 512.A NZ LEU 470.A O no hydrogen 3.032 N/A LYS 512.A NZ SER 473.A O no hydrogen 3.417 N/A LYS 512.A NZ GLY 474.A O no hydrogen 2.785 N/A TYR 516.A N VAL 477.A O no hydrogen 3.089 N/A ALA 518.A N ILE 479.A O no hydrogen 3.091 N/A VAL 520.A N THR 481.A O no hydrogen 3.070 N/A GLY 528.A N GLN 531.A OE1 no hydrogen 2.847 N/A GLU 530.A N ILE 526.A O no hydrogen 3.075 N/A ASP 533.A N ASN 529.A O no hydrogen 3.297 N/A LEU 535.A N VAL 532.A O no hydrogen 3.097 N/A VAL 536.A N VAL 532.A O no hydrogen 3.114 N/A SER 537.A N ASP 533.A O no hydrogen 3.196 N/A SER 537.A OG ASP 533.A O no hydrogen 2.602 N/A