Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7fgh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N GLU 25.A O no hydrogen 2.971 N/A VAL 5.A N GLU 27.A O no hydrogen 2.909 N/A ILE 7.A N VAL 5.A O no hydrogen 3.095 N/A ASP 10.A N ASP 8.A OD1 no hydrogen 2.597 N/A SER 11.A N ASP 8.A O no hydrogen 3.254 N/A PHE 13.A N SER 11.A OG no hydrogen 3.257 N/A LEU 17.A N PHE 13.A O no hydrogen 3.010 N/A GLN 18.A N LEU 14.A O no hydrogen 2.910 N/A ARG 19.A N LYS 15.A O no hydrogen 2.953 N/A ALA 20.A N ALA 16.A O no hydrogen 3.006 N/A TYR 21.A N LEU 17.A O no hydrogen 3.191 N/A PHE 24.A N TYR 21.A O no hydrogen 3.361 N/A GLU 27.A N VAL 3.A O no hydrogen 2.887 N/A ARG 29.A N VAL 5.A O no hydrogen 2.811 N/A GLN 30.A NE2 THR 32.A O no hydrogen 3.425 N/A VAL 31.A N ASP 6.A OD1 no hydrogen 2.791 N/A THR 32.A OG1 ASP 6.A OD2 no hydrogen 3.094 N/A HIS 36.A N ASN 34.A OD1 no hydrogen 2.938 N/A ASN 38.A ND2 SER 193.A O no hydrogen 3.245 N/A ALA 41.A N ALA 37.A O no hydrogen 3.021 N/A PHE 42.A N ASN 38.A O no hydrogen 3.047 N/A SER 43.A N ALA 39.A O no hydrogen 3.093 N/A SER 43.A OG ASP 151.A OD2 no hydrogen 3.437 N/A HIS 44.A N ARG 40.A O no hydrogen 3.027 N/A LEU 45.A N ALA 41.A O no hydrogen 3.095 N/A ALA 46.A N PHE 42.A O no hydrogen 3.000 N/A ILE 47.A N SER 43.A O no hydrogen 3.101 N/A LYS 48.A N HIS 44.A O no hydrogen 3.160 N/A LEU 49.A N LEU 45.A O no hydrogen 3.030 N/A ILE 50.A N ALA 46.A O no hydrogen 3.025 N/A GLU 51.A N ILE 47.A O no hydrogen 2.998 N/A GLN 52.A N LYS 48.A O no hydrogen 3.009 N/A GLU 53.A N LEU 49.A O no hydrogen 3.041 N/A ILE 54.A N ILE 50.A O no hydrogen 3.428 N/A SER 58.A OG ASP 55.A O no hydrogen 2.508 N/A ILE 60.A N LYS 76.A O no hydrogen 2.940 N/A LEU 61.A N VAL 146.A O no hydrogen 2.922 N/A ASP 62.A N HIS 78.A O no hydrogen 2.931 N/A ILE 63.A N ILE 148.A O no hydrogen 3.253 N/A SER 65.A N VAL 80.A O no hydrogen 3.209 N/A SER 65.A OG ASP 62.A OD2 no hydrogen 2.997 N/A ARG 69.A N ALA 66.A O no hydrogen 3.029 N/A ARG 70.A N PRO 67.A O no hydrogen 2.943 N/A ARG 70.A NE ASP 62.A OD2 no hydrogen 2.849 N/A ARG 70.A NH2 GLN 150.A OE1 no hydrogen 2.645 N/A SER 73.A OG GLU 51.A OE2 no hydrogen 3.431 N/A ARG 75.A NH1 ILE 54.A O no hydrogen 3.241 N/A LYS 76.A NZ ASP 57.A O no hydrogen 3.428 N/A TYR 77.A OH GLU 51.A OE2 no hydrogen 2.552 N/A HIS 78.A N ILE 60.A O no hydrogen 2.879 N/A CYS 79.A N THR 131.A O no hydrogen 3.502 N/A CYS 79.A SG SER 65.A OG no hydrogen 3.394 N/A VAL 80.A N ASP 62.A O no hydrogen 2.972 N/A CYS 81.A N CYS 133.A O no hydrogen 3.349 N/A CYS 81.A SG SER 65.A O no hydrogen 3.852 N/A ARG 84.A N PRO 82.A O no hydrogen 3.062 N/A SER 85.A N ASP 88.A OD2 no hydrogen 2.907 N/A GLU 87.A N SER 85.A OG no hydrogen 3.323 N/A ASP 88.A N SER 85.A O no hydrogen 3.225 N/A ARG 91.A N GLU 87.A O no hydrogen 3.468 N/A ARG 91.A NH1 ASP 88.A OD1 no hydrogen 3.071 N/A LEU 92.A N ASP 88.A O no hydrogen 2.949 N/A ALA 93.A N PRO 89.A O no hydrogen 2.954 N/A ASN 94.A N GLU 90.A O no hydrogen 2.922 N/A TYR 95.A N ARG 91.A O no hydrogen 2.966 N/A ALA 96.A N LEU 92.A O no hydrogen 3.007 N/A ARG 97.A N ALA 93.A O no hydrogen 2.934 N/A LYS 98.A N ASN 94.A O no hydrogen 2.933 N/A LEU 99.A N TYR 95.A O no hydrogen 2.912 N/A ALA 100.A N ALA 96.A O no hydrogen 2.944 N/A SER 101.A N ARG 97.A O no hydrogen 2.955 N/A LYS 105.A NZ SER 101.A O no hydrogen 2.809 N/A ILE 111.A N ARG 109.A O no hydrogen 2.637 N/A LYS 114.A N ASN 110.A O no hydrogen 2.918 N/A LYS 114.A NZ MET 71.A O no hydrogen 3.314 N/A ILE 115.A N ILE 111.A O no hydrogen 2.958 N/A GLY 116.A N SER 112.A O no hydrogen 2.940 N/A ASP 117.A N GLY 113.A O no hydrogen 2.899 N/A LEU 118.A N LYS 114.A O no hydrogen 2.963 N/A GLN 119.A N ILE 115.A O no hydrogen 2.985 N/A ALA 120.A N GLY 116.A O no hydrogen 2.912 N/A VAL 121.A N ASP 117.A O no hydrogen 2.948 N/A MET 122.A N LEU 118.A O no hydrogen 2.950 N/A ALA 123.A N GLN 119.A O no hydrogen 2.957 N/A VAL 124.A N ALA 120.A O no hydrogen 3.237 N/A THR 129.A N PHE 132.A O no hydrogen 3.392 N/A THR 129.A OG1 PHE 132.A O no hydrogen 2.922 N/A THR 131.A OG1 ASP 117.A OD2 no hydrogen 2.676 N/A CYS 133.A SG HIS 78.A NE2 no hydrogen 3.614 N/A CYS 133.A SG GLU 128.A OE1 no hydrogen 3.728 N/A CYS 133.A SG HIS 135.A ND1 no hydrogen 3.997 N/A HIS 135.A NE2 ASP 126.A OD1 no hydrogen 3.031 N/A THR 136.A N SER 139.A OG no hydrogen 3.226 N/A THR 136.A OG1 SER 139.A OG no hydrogen 2.808 N/A SER 139.A OG THR 136.A OG1 no hydrogen 2.808 N/A CYS 140.A N THR 136.A O no hydrogen 3.228 N/A CYS 140.A SG HIS 78.A NE2 no hydrogen 3.675 N/A CYS 140.A SG GLU 128.A OE1 no hydrogen 3.669 N/A CYS 140.A SG GLU 128.A OE2 no hydrogen 3.699 N/A ARG 141.A N GLU 128.A OE2 no hydrogen 3.159 N/A ALA 147.A N LEU 171.A O no hydrogen 3.153 N/A ILE 148.A N LEU 61.A O no hydrogen 3.046 N/A TYR 149.A N TYR 173.A O no hydrogen 3.002 N/A TYR 149.A OH SER 160.A OG no hydrogen 2.879 N/A ASP 151.A N VAL 175.A O no hydrogen 3.209 N/A ALA 157.A N SER 256.A OG no hydrogen 3.316 N/A SER 160.A N HIS 156.A O no hydrogen 3.256 N/A SER 160.A OG ASP 137.A OD2 no hydrogen 3.034 N/A SER 160.A OG TYR 149.A OH no hydrogen 2.879 N/A LEU 161.A N ALA 157.A O no hydrogen 2.948 N/A TYR 162.A N PRO 158.A O no hydrogen 2.948 N/A HIS 163.A N THR 159.A O no hydrogen 3.067 N/A HIS 163.A ND1 THR 159.A O no hydrogen 3.033 N/A GLN 164.A N SER 160.A O no hydrogen 3.011 N/A GLN 164.A NE2 ASP 137.A O no hydrogen 3.212 N/A GLN 164.A NE2 SER 160.A O no hydrogen 3.219 N/A ALA 165.A N LEU 161.A O no hydrogen 2.907 N/A ILE 166.A N TYR 162.A O no hydrogen 3.060 N/A LYS 167.A N GLN 164.A O no hydrogen 3.306 N/A LYS 167.A NZ CYS 140.A O no hydrogen 3.249 N/A GLY 168.A N ALA 165.A O no hydrogen 3.063 N/A VAL 169.A N GLN 164.A O no hydrogen 3.442 N/A ARG 170.A N ASP 145.A O no hydrogen 3.198 N/A ARG 170.A NH1 VAL 169.A O no hydrogen 3.008 N/A ALA 172.A N ILE 289.A O no hydrogen 2.931 N/A TYR 173.A N ALA 147.A O no hydrogen 3.232 N/A TRP 174.A N LYS 287.A O no hydrogen 2.962 N/A VAL 175.A N TYR 149.A O no hydrogen 3.143 N/A GLY 176.A N VAL 285.A O no hydrogen 3.076 N/A PHE 177.A N TYR 153.A OH no hydrogen 3.395 N/A ASP 178.A N GLY 283.A O no hydrogen 3.095 N/A THR 179.A OG1 HIS 258.A ND1 no hydrogen 2.811 N/A THR 180.A N ASP 178.A OD1 no hydrogen 3.293 N/A THR 180.A OG1 ASP 178.A OD1 no hydrogen 3.046 N/A THR 180.A OG1 ASP 178.A OD2 no hydrogen 3.155 N/A THR 180.A OG1 THR 305.A OG1 no hydrogen 3.351 N/A PHE 182.A N THR 179.A O no hydrogen 3.259 N/A MET 183.A N THR 180.A O no hydrogen 3.009 N/A TYR 184.A N THR 180.A O no hydrogen 3.383 N/A TYR 184.A OH SER 422.A OG no hydrogen 3.004 N/A MET 187.A N SER 328.A O no hydrogen 3.242 N/A GLY 189.A N TRP 198.A O no hydrogen 3.000 N/A TYR 191.A N THR 196.A O no hydrogen 2.908 N/A TYR 191.A OH ASP 178.A O no hydrogen 2.982 N/A TYR 194.A N TYR 191.A O no hydrogen 3.278 N/A TYR 194.A OH CYS 281.A O no hydrogen 3.029 N/A SER 195.A N PRO 192.A O no hydrogen 3.425 N/A THR 196.A N TYR 191.A O no hydrogen 3.117 N/A THR 196.A OG1 TYR 194.A O no hydrogen 3.128 N/A ASN 197.A N SER 241.A O no hydrogen 3.081 N/A TRP 198.A N GLY 189.A O no hydrogen 2.972 N/A ALA 199.A N LEU 239.A O no hydrogen 2.996 N/A ASP 200.A N MET 187.A O no hydrogen 3.142 N/A GLU 201.A N ARG 237.A O no hydrogen 3.424 N/A GLN 202.A N ASP 200.A OD1 no hydrogen 3.171 N/A GLN 202.A NE2 ASP 200.A OD1 no hydrogen 3.064 N/A GLN 202.A NE2 GLU 233.A O no hydrogen 2.820 N/A VAL 203.A N ASP 200.A O no hydrogen 3.169 N/A ALA 206.A N VAL 203.A O no hydrogen 3.310 N/A ASN 208.A N ASP 318.A OD2 no hydrogen 3.201 N/A CYS 212.A SG ALA 206.A O no hydrogen 3.533 N/A CYS 212.A SG ILE 209.A O no hydrogen 3.381 N/A SER 213.A N LEU 204.A O no hydrogen 3.262 N/A CYS 235.A N ASP 200.A OD2 no hydrogen 3.252 N/A CYS 235.A SG ASP 200.A OD1 no hydrogen 3.441 N/A CYS 235.A SG ASP 200.A OD2 no hydrogen 3.887 N/A CYS 235.A SG ARG 237.A O no hydrogen 4.027 N/A ARG 237.A NE GLU 201.A OE2 no hydrogen 3.187 N/A VAL 238.A N GLU 249.A O no hydrogen 2.993 N/A LEU 239.A N ALA 199.A O no hydrogen 2.939 N/A PHE 240.A N TYR 247.A O no hydrogen 2.897 N/A SER 241.A N ASN 197.A O no hydrogen 2.911 N/A VAL 242.A N THR 245.A O no hydrogen 2.938 N/A GLY 243.A N SER 195.A O no hydrogen 3.309 N/A SER 244.A OG ASP 35.A OD2 no hydrogen 3.235 N/A THR 245.A N VAL 242.A O no hydrogen 2.941 N/A TYR 247.A N PHE 240.A O no hydrogen 2.939 N/A GLU 249.A N VAL 238.A O no hydrogen 2.892 N/A SER 250.A OG ASP 236.A OD2 no hydrogen 2.886 N/A ARG 251.A N ASP 236.A O no hydrogen 3.054 N/A ARG 251.A NE CYS 235.A O no hydrogen 2.773 N/A ARG 251.A NH1 ALA 186.A O no hydrogen 3.031 N/A ARG 251.A NH2 ALA 186.A O no hydrogen 3.295 N/A ARG 251.A NH2 ASP 200.A OD2 no hydrogen 2.793 N/A LYS 252.A N ASP 236.A OD1 no hydrogen 3.309 N/A LEU 254.A N SER 250.A O no hydrogen 3.245 N/A LYS 255.A N ARG 251.A O no hydrogen 2.966 N/A SER 256.A N LYS 252.A O no hydrogen 3.028 N/A SER 256.A OG LEU 253.A O no hydrogen 3.007 N/A TRP 257.A N LEU 254.A O no hydrogen 3.333 N/A HIS 258.A N LYS 255.A O no hydrogen 3.072 N/A HIS 258.A ND1 THR 179.A OG1 no hydrogen 2.811 N/A PHE 263.A N CYS 273.A O no hydrogen 2.958 N/A HIS 264.A N ALA 428.A O no hydrogen 3.231 N/A LEU 265.A N PHE 271.A O no hydrogen 2.961 N/A LYS 266.A N PHE 430.A O no hydrogen 2.930 N/A LYS 266.A NZ GLU 429.A OE1 no hydrogen 3.109 N/A GLY 267.A N LEU 269.A O no hydrogen 2.984 N/A PHE 271.A N LEU 265.A O no hydrogen 2.942 N/A THR 272.A N SER 292.A O no hydrogen 2.904 N/A THR 272.A OG1 GLY 294.A O no hydrogen 2.925 N/A CYS 273.A N PHE 263.A O no hydrogen 2.910 N/A ARG 274.A N THR 290.A O no hydrogen 3.189 N/A ASP 276.A N ARG 288.A O no hydrogen 3.126 N/A VAL 278.A N VAL 286.A O no hydrogen 3.064 N/A CYS 281.A N TYR 284.A O no hydrogen 2.903 N/A CYS 281.A SG GLU 282.A OE1 no hydrogen 3.874 N/A TYR 284.A N CYS 281.A O no hydrogen 2.983 N/A TYR 284.A OH ASP 151.A OD1 no hydrogen 3.091 N/A VAL 285.A N GLY 176.A O no hydrogen 2.922 N/A VAL 286.A N VAL 279.A O no hydrogen 3.004 N/A LYS 287.A N TRP 174.A O no hydrogen 2.893 N/A LYS 287.A NZ TRP 257.A O no hydrogen 3.218 N/A ARG 288.A N ASP 276.A O no hydrogen 3.034 N/A ILE 289.A N ALA 172.A O no hydrogen 2.900 N/A THR 290.A N ARG 274.A O no hydrogen 3.253 N/A MET 291.A N ARG 170.A O no hydrogen 3.303 N/A SER 292.A N THR 272.A O no hydrogen 3.078 N/A GLY 294.A N SER 270.A O no hydrogen 2.974 N/A TYR 296.A N THR 272.A OG1 no hydrogen 3.259 N/A THR 299.A OG1 GLU 429.A OE2 no hydrogen 3.124 N/A ALA 303.A N GLN 424.A O no hydrogen 2.875 N/A THR 305.A N SER 422.A O no hydrogen 2.950 N/A THR 305.A OG1 THR 180.A OG1 no hydrogen 3.351 N/A HIS 307.A N THR 420.A O no hydrogen 3.176 N/A HIS 307.A NE2 SER 422.A OG no hydrogen 2.915 N/A GLY 310.A N VAL 333.A O no hydrogen 2.940 N/A PHE 311.A N LYS 416.A O no hydrogen 2.980 N/A LEU 312.A N THR 331.A O no hydrogen 2.971 N/A MET 313.A N VAL 414.A O no hydrogen 2.997 N/A CYS 314.A N VAL 329.A O no hydrogen 2.937 N/A CYS 314.A SG VAL 329.A O no hydrogen 4.003 N/A LYS 315.A N HIS 412.A O no hydrogen 3.317 N/A THR 316.A N PHE 327.A O no hydrogen 2.881 N/A THR 317.A OG1 SER 326.A OG no hydrogen 2.981 N/A ASP 318.A N VAL 325.A O no hydrogen 2.956 N/A THR 319.A N ASP 318.A OD1 no hydrogen 2.697 N/A VAL 320.A N GLU 323.A O no hydrogen 2.848 N/A ASP 321.A N LYS 205.A O no hydrogen 3.156 N/A GLU 323.A N VAL 320.A O no hydrogen 2.968 N/A VAL 325.A N ASP 318.A O no hydrogen 2.898 N/A SER 326.A OG THR 317.A OG1 no hydrogen 2.981 N/A PHE 327.A N THR 316.A O no hydrogen 2.969 N/A VAL 329.A N CYS 314.A O no hydrogen 2.915 N/A CYS 330.A N ALA 188.A O no hydrogen 3.345 N/A CYS 330.A SG ALA 188.A O no hydrogen 3.943 N/A THR 331.A N LEU 312.A O no hydrogen 2.966 N/A TYR 332.A OH ASP 178.A OD2 no hydrogen 3.273 N/A VAL 333.A N GLY 310.A O no hydrogen 2.913 N/A CYS 338.A N PRO 334.A O no hydrogen 3.310 N/A CYS 338.A SG PRO 334.A O no hydrogen 3.617 N/A CYS 338.A SG TYR 415.A OH no hydrogen 3.600 N/A ASP 339.A N ALA 335.A O no hydrogen 2.943 N/A GLN 340.A N THR 336.A O no hydrogen 2.953 N/A MET 341.A N ILE 337.A O no hydrogen 3.067 N/A MET 341.A N CYS 338.A O no hydrogen 3.264 N/A THR 342.A N ASP 339.A O no hydrogen 3.473 N/A THR 342.A OG1 ASP 339.A O no hydrogen 3.008 N/A LEU 345.A N MET 341.A O no hydrogen 3.394 N/A ALA 346.A N GLY 343.A O no hydrogen 3.379 N/A THR 347.A N ILE 344.A O no hydrogen 3.463 N/A THR 347.A OG1 GLU 348.A O no hydrogen 3.482 N/A THR 350.A OG1 GLU 352.A OE2 no hydrogen 3.566 N/A THR 350.A OG1 ASP 353.A OD2 no hydrogen 2.606 N/A ASP 353.A N THR 350.A OG1 no hydrogen 3.428 N/A ALA 354.A N THR 350.A O no hydrogen 3.104 N/A GLN 355.A N PRO 351.A O no hydrogen 2.938 N/A LYS 356.A N GLU 352.A O no hydrogen 3.037 N/A LEU 357.A N ASP 353.A O no hydrogen 2.987 N/A LEU 358.A N ALA 354.A O no hydrogen 2.932 N/A VAL 359.A N GLN 355.A O no hydrogen 2.996 N/A GLY 360.A N LYS 356.A O no hydrogen 3.000 N/A LEU 361.A N LEU 357.A O no hydrogen 2.958 N/A ASN 362.A N LEU 358.A O no hydrogen 2.908 N/A ASN 362.A ND2 MET 368.A O no hydrogen 3.194 N/A GLN 363.A N VAL 359.A O no hydrogen 3.243 N/A THR 365.A OG1 ARG 364.A O no hydrogen 2.926 N/A MET 368.A N ASN 362.A OD1 no hydrogen 2.926 N/A LYS 369.A NZ PRO 192.A O no hydrogen 3.213 N/A TYR 371.A OH ASN 197.A OD1 no hydrogen 3.199 N/A ILE 373.A N ASN 370.A O no hydrogen 2.961 N/A VAL 376.A N MET 372.A O no hydrogen 3.272 N/A ALA 377.A N ILE 373.A O no hydrogen 3.021 N/A GLN 378.A N PRO 374.A O no hydrogen 3.242 N/A ALA 379.A N VAL 375.A O no hydrogen 3.030 N/A PHE 380.A N VAL 376.A O no hydrogen 3.006 N/A SER 381.A N ALA 377.A O no hydrogen 3.296 N/A SER 381.A OG VAL 349.A O no hydrogen 2.752 N/A LYS 382.A N GLN 378.A O no hydrogen 3.166 N/A TRP 383.A N ALA 379.A O no hydrogen 3.039 N/A ALA 384.A N PHE 380.A O no hydrogen 3.171 N/A LYS 385.A N SER 381.A O no hydrogen 3.356 N/A GLU 386.A N LYS 382.A O no hydrogen 2.986 N/A CYS 387.A N TRP 383.A O no hydrogen 3.107 N/A CYS 387.A SG TRP 383.A O no hydrogen 3.695 N/A LYS 389.A N LYS 385.A O no hydrogen 3.301 N/A ASP 390.A N GLU 386.A O no hydrogen 3.219 N/A MET 391.A N CYS 387.A O no hydrogen 3.198 N/A GLU 392.A N ARG 388.A O no hydrogen 3.225 N/A ASP 393.A N ASP 390.A O no hydrogen 3.403 N/A THR 403.A N GLU 401.A OE1 no hydrogen 2.885 N/A THR 403.A OG1 GLU 401.A OE1 no hydrogen 3.170 N/A HIS 412.A N GLU 386.A OE2 no hydrogen 3.126 N/A THR 413.A OG1 ALA 379.A O no hydrogen 3.538 N/A VAL 414.A N MET 313.A O no hydrogen 2.942 N/A LYS 416.A N PHE 311.A O no hydrogen 2.924 N/A LYS 416.A NZ GLN 421.A O no hydrogen 3.315 N/A ASP 419.A N HIS 307.A O no hydrogen 2.975 N/A THR 420.A N ARG 417.A O no hydrogen 3.242 N/A THR 420.A OG1 ARG 417.A O no hydrogen 2.642 N/A SER 422.A N THR 305.A O no hydrogen 2.938 N/A SER 422.A OG TYR 184.A OH no hydrogen 3.004 N/A SER 422.A OG HIS 307.A NE2 no hydrogen 2.915 N/A GLN 424.A N ALA 303.A O no hydrogen 2.933 N/A LYS 425.A NZ TYR 302.A OH no hydrogen 3.563 N/A VAL 426.A N GLY 301.A O no hydrogen 2.897 N/A GLN 427.A NE2 GLU 429.A O no hydrogen 2.801 N/A PHE 430.A N HIS 264.A O no hydrogen 3.262 N/A LEU 439.A N SER 437.A OG no hydrogen 3.266 N/A ARG 444.A N SER 440.A O no hydrogen 3.071 N/A THR 445.A N ILE 441.A O no hydrogen 2.909 N/A THR 445.A OG1 ILE 441.A O no hydrogen 2.844 N/A ARG 446.A N PRO 442.A O no hydrogen 2.917 N/A ILE 447.A N LEU 443.A O no hydrogen 2.940 N/A LYS 448.A N ARG 444.A O no hydrogen 2.891 N/A TRP 449.A N THR 445.A O no hydrogen 2.899 N/A LEU 450.A N ARG 446.A O no hydrogen 2.896 N/A LEU 451.A N ILE 447.A O no hydrogen 2.933 N/A SER 452.A N LYS 448.A O no hydrogen 2.871 N/A SER 452.A OG LYS 448.A O no hydrogen 2.825 N/A LYS 453.A N TRP 449.A O no hydrogen 3.443 N/A