Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7bgi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N ASN 305.A OD1 no hydrogen 2.815 N/A LYS 4.A NZ ILE 5.A O no hydrogen 2.630 N/A ASP 8.A N ALA 175.A O no hydrogen 2.848 N/A ASN 10.A N LYS 173.A O no hydrogen 2.659 N/A GLU 17.A N SER 15.A OG no hydrogen 3.222 N/A TRP 19.A N PHE 16.A O no hydrogen 3.142 N/A LYS 21.A N LYS 18.A O no hydrogen 3.246 N/A LYS 21.A NZ GLU 17.A OE2 no hydrogen 2.946 N/A SER 26.A N GLY 23.A O no hydrogen 3.399 N/A SER 26.A OG THR 28.A OG1 no hydrogen 3.374 N/A ARG 27.A NH2 HIS 52.A O no hydrogen 3.479 N/A THR 28.A OG1 SER 26.A OG no hydrogen 3.374 N/A SER 30.A N SER 26.A O no hydrogen 3.077 N/A SER 30.A OG ARG 27.A O no hydrogen 3.038 N/A THR 36.A N GLN 704.A O no hydrogen 2.939 N/A THR 36.A OG1 ARG 706.A O no hydrogen 3.306 N/A TRP 38.A NE1 LEU 29.A O no hydrogen 2.968 N/A ILE 39.A N THR 36.A O no hydrogen 2.994 N/A ASN 41.A N THR 37.A O no hydrogen 2.869 N/A LEU 42.A N TRP 38.A O no hydrogen 2.732 N/A HIS 43.A N TRP 40.A O no hydrogen 3.027 N/A HIS 43.A ND1 ILE 39.A O no hydrogen 2.649 N/A ALA 44.A N TRP 40.A O no hydrogen 2.871 N/A ASP 45.A N ASN 41.A O no hydrogen 3.079 N/A PHE 49.A N HIS 47.A O no hydrogen 2.795 N/A SER 51.A N ASP 48.A O no hydrogen 3.102 N/A SER 51.A OG ASP 48.A OD2 no hydrogen 2.899 N/A HIS 52.A N PHE 49.A O no hydrogen 3.267 N/A HIS 52.A NE2 ASP 45.A O no hydrogen 2.435 N/A ASP 55.A N THR 53.A OG1 no hydrogen 3.232 N/A ILE 59.A N ASP 55.A O no hydrogen 3.217 N/A SER 60.A N LEU 56.A O no hydrogen 2.925 N/A SER 60.A OG LEU 56.A O no hydrogen 2.615 N/A ARG 61.A N GLU 57.A O no hydrogen 2.955 N/A ARG 61.A NE PRO 176.A O no hydrogen 2.772 N/A ARG 61.A NH2 ASP 8.A OD2 no hydrogen 2.955 N/A ARG 61.A NH2 PRO 176.A O no hydrogen 3.475 N/A LYS 62.A N GLU 58.A O no hydrogen 2.972 N/A VAL 63.A N ILE 59.A O no hydrogen 2.915 N/A PHE 64.A N SER 60.A O no hydrogen 2.949 N/A SER 65.A N ARG 61.A O no hydrogen 3.016 N/A SER 65.A OG ARG 61.A O no hydrogen 3.036 N/A SER 65.A OG GLY 167.A O no hydrogen 3.455 N/A ALA 66.A N LYS 62.A O no hydrogen 2.887 N/A HIS 67.A N VAL 63.A O no hydrogen 2.899 N/A PHE 68.A N PHE 64.A O no hydrogen 3.155 N/A GLY 69.A N SER 65.A O no hydrogen 3.009 N/A GLN 70.A N ALA 66.A O no hydrogen 2.934 N/A GLN 70.A NE2 GLN 70.A O no hydrogen 2.989 N/A LEU 71.A N HIS 67.A O no hydrogen 2.936 N/A GLY 72.A N PHE 68.A O no hydrogen 2.941 N/A ILE 73.A N GLY 69.A O no hydrogen 2.998 N/A ILE 74.A N GLN 70.A O no hydrogen 2.935 N/A PHE 75.A N LEU 71.A O no hydrogen 2.894 N/A ILE 76.A N GLY 72.A O no hydrogen 2.952 N/A TRP 77.A N ILE 73.A O no hydrogen 2.964 N/A LEU 78.A N ILE 74.A O no hydrogen 2.906 N/A SER 79.A N PHE 75.A O no hydrogen 2.882 N/A SER 79.A OG ALA 153.A O no hydrogen 2.373 N/A GLY 80.A N ILE 76.A O no hydrogen 2.900 N/A MET 81.A N TRP 77.A O no hydrogen 2.998 N/A TYR 82.A N LEU 78.A O no hydrogen 2.991 N/A PHE 83.A N SER 79.A O no hydrogen 2.880 N/A HIS 84.A N GLY 80.A O no hydrogen 2.887 N/A GLY 85.A N MET 81.A O no hydrogen 2.964 N/A ALA 86.A N TYR 82.A O no hydrogen 2.946 N/A ALA 86.A N PHE 83.A O no hydrogen 3.152 N/A ARG 87.A N PHE 83.A O no hydrogen 2.896 N/A PHE 88.A N HIS 84.A O no hydrogen 3.017 N/A SER 89.A OG GLY 85.A O no hydrogen 2.388 N/A ASN 90.A ND2 LYS 102.A O no hydrogen 3.239 N/A ASN 90.A ND2 GLY 122.A O no hydrogen 3.454 N/A TYR 91.A N SER 89.A OG no hydrogen 3.367 N/A TYR 91.A OH ILE 143.A O no hydrogen 2.301 N/A TRP 94.A N ASN 90.A O no hydrogen 2.824 N/A LEU 95.A N TYR 91.A O no hydrogen 2.945 N/A SER 96.A N ALA 93.A O no hydrogen 3.313 N/A ASP 97.A N TRP 94.A O no hydrogen 3.257 N/A THR 99.A OG1 ASP 97.A OD1 no hydrogen 3.441 N/A HIS 100.A ND1 ASP 97.A OD2 no hydrogen 3.026 N/A ILE 101.A N ASP 97.A O no hydrogen 3.234 N/A LYS 102.A N VAL 121.A O no hydrogen 2.775 N/A SER 104.A N ASN 90.A OD1 no hydrogen 3.143 N/A SER 104.A OG ILE 128.A O no hydrogen 2.696 N/A VAL 108.A N ASN 118.A OD1 no hydrogen 3.020 N/A ILE 111.A N TRP 109.A O no hydrogen 2.805 N/A GLN 114.A N ILE 111.A O no hydrogen 2.773 N/A GLU 115.A N GLU 115.A OE1 no hydrogen 2.911 N/A LEU 117.A N GLN 114.A O no hydrogen 2.951 N/A ASN 118.A N GLU 115.A O no hydrogen 3.116 N/A ASN 118.A ND2 VAL 108.A O no hydrogen 3.013 N/A GLY 119.A N LEU 117.A O no hydrogen 2.934 N/A GLN 126.A NE2 ASP 120.A OD1 no hydrogen 3.055 N/A GLY 127.A N GLY 119.A O no hydrogen 2.921 N/A ILE 128.A N GLN 106.A O no hydrogen 2.848 N/A ILE 130.A N PRO 103.A O no hydrogen 3.009 N/A GLN 136.A N GLN 136.A OE1 no hydrogen 2.702 N/A GLN 136.A NE2 TYR 369.A O no hydrogen 3.240 N/A GLN 136.A NE2 ASP 373.A OD2 no hydrogen 2.999 N/A LEU 137.A N GLY 133.A O no hydrogen 3.244 N/A TRP 138.A N PHE 134.A O no hydrogen 2.877 N/A ARG 139.A N PHE 135.A O no hydrogen 2.914 N/A ARG 139.A NH2 LEU 95.A O no hydrogen 3.234 N/A ALA 140.A N GLN 136.A O no hydrogen 2.927 N/A SER 141.A N LEU 137.A O no hydrogen 3.056 N/A SER 141.A OG LEU 137.A O no hydrogen 2.904 N/A GLY 142.A N ARG 139.A O no hydrogen 3.340 N/A ILE 143.A N TRP 138.A O no hydrogen 3.004 N/A THR 144.A N GLN 148.A OE1 no hydrogen 2.998 N/A SER 145.A N GLN 148.A OE1 no hydrogen 2.939 N/A GLU 146.A N GLU 92.A OE2 no hydrogen 3.185 N/A TYR 150.A N GLU 146.A O no hydrogen 2.914 N/A THR 151.A N LEU 147.A O no hydrogen 2.901 N/A THR 151.A OG1 LEU 147.A O no hydrogen 2.607 N/A THR 152.A N GLN 148.A O no hydrogen 2.938 N/A THR 152.A OG1 GLN 148.A O no hydrogen 2.568 N/A ALA 153.A N LEU 149.A O no hydrogen 2.912 N/A ILE 154.A N TYR 150.A O no hydrogen 2.983 N/A GLY 155.A N THR 151.A O no hydrogen 2.931 N/A GLY 156.A N THR 152.A O no hydrogen 2.861 N/A LEU 157.A N ALA 153.A O no hydrogen 2.984 N/A VAL 158.A N ILE 154.A O no hydrogen 2.977 N/A MET 159.A N GLY 155.A O no hydrogen 2.900 N/A ALA 160.A N GLY 156.A O no hydrogen 2.893 N/A ALA 161.A N LEU 157.A O no hydrogen 2.975 N/A ALA 162.A N VAL 158.A O no hydrogen 2.941 N/A MET 163.A N MET 159.A O no hydrogen 2.884 N/A PHE 164.A N ALA 160.A O no hydrogen 2.997 N/A PHE 165.A N ALA 161.A O no hydrogen 2.930 N/A ALA 166.A N ALA 162.A O no hydrogen 2.860 N/A GLY 167.A N MET 163.A O no hydrogen 2.973 N/A TRP 168.A N PHE 164.A O no hydrogen 3.011 N/A TRP 168.A NE1 THR 14.A OG1 no hydrogen 2.818 N/A PHE 169.A N PHE 165.A O no hydrogen 2.838 N/A HIS 170.A N ALA 166.A O no hydrogen 2.862 N/A HIS 170.A ND1 ALA 174.A O no hydrogen 3.114 N/A TYR 171.A N TRP 168.A O no hydrogen 3.224 N/A TYR 171.A OH GLU 58.A OE2 no hydrogen 2.290 N/A HIS 172.A N TRP 168.A O no hydrogen 2.875 N/A HIS 172.A ND1 VAL 12.A O no hydrogen 3.024 N/A LYS 173.A N PHE 169.A O no hydrogen 3.096 N/A ALA 174.A N PHE 169.A O no hydrogen 2.667 N/A ALA 175.A N ASP 8.A O no hydrogen 2.994 N/A LYS 177.A N ALA 6.A O no hydrogen 2.778 N/A LYS 177.A NZ ASP 8.A OD2 no hydrogen 3.347 N/A LEU 178.A N GLU 57.A OE1 no hydrogen 2.940 N/A TRP 180.A N LYS 177.A O no hydrogen 3.219 N/A GLN 182.A N LEU 178.A O no hydrogen 3.214 N/A GLN 182.A NE2 THR 336.A O no hydrogen 3.141 N/A ASN 183.A ND2 TRP 180.A O no hydrogen 3.571 N/A MET 187.A N ASN 183.A O no hydrogen 2.927 N/A LEU 188.A N VAL 184.A O no hydrogen 2.878 N/A ASN 189.A N GLU 185.A O no hydrogen 2.948 N/A ASN 189.A ND2 TYR 302.A O no hydrogen 2.767 N/A HIS 190.A N SER 186.A O no hydrogen 2.958 N/A HIS 190.A ND1 SER 186.A O no hydrogen 2.255 N/A HIS 191.A N MET 187.A O no hydrogen 2.889 N/A LEU 192.A N LEU 188.A O no hydrogen 2.902 N/A GLY 193.A N ASN 189.A O no hydrogen 2.931 N/A LEU 195.A N HIS 190.A O no hydrogen 3.085 N/A LEU 196.A N HIS 191.A O no hydrogen 3.133 N/A GLY 197.A N LEU 192.A O no hydrogen 3.165 N/A LEU 198.A N GLY 193.A O no hydrogen 3.162 N/A LEU 198.A N GLY 194.A O no hydrogen 2.879 N/A GLY 199.A N LEU 195.A O no hydrogen 2.945 N/A SER 200.A N LEU 196.A O no hydrogen 2.936 N/A SER 200.A OG HIS 288.A O no hydrogen 2.681 N/A LEU 201.A N GLY 197.A O no hydrogen 2.906 N/A ALA 202.A N LEU 198.A O no hydrogen 2.884 N/A TRP 203.A N GLY 199.A O no hydrogen 2.920 N/A ALA 204.A N SER 200.A O no hydrogen 2.871 N/A GLY 205.A N LEU 201.A O no hydrogen 2.929 N/A HIS 206.A N ALA 202.A O no hydrogen 2.982 N/A HIS 206.A NE2 SER 141.A O no hydrogen 2.903 N/A GLN 207.A N TRP 203.A O no hydrogen 2.890 N/A ILE 208.A N ALA 204.A O no hydrogen 2.893 N/A HIS 209.A N GLY 205.A O no hydrogen 2.946 N/A VAL 210.A N HIS 206.A O no hydrogen 2.598 N/A SER 211.A N HIS 206.A O no hydrogen 3.241 N/A SER 211.A OG ALA 140.A O no hydrogen 3.353 N/A LEU 212.A N GLN 207.A O no hydrogen 2.760 N/A VAL 214.A N VAL 210.A O no hydrogen 3.192 N/A ASN 215.A N SER 211.A O no hydrogen 2.923 N/A ASN 215.A ND2 ARG 139.A O no hydrogen 2.735 N/A LYS 216.A N LEU 212.A O no hydrogen 2.905 N/A LEU 217.A N PRO 213.A O no hydrogen 2.977 N/A LEU 218.A N VAL 214.A O no hydrogen 2.902 N/A ASP 219.A N ASN 215.A O no hydrogen 2.891 N/A ALA 220.A N LYS 216.A O no hydrogen 2.964 N/A GLY 221.A N LEU 218.A O no hydrogen 3.269 N/A VAL 222.A N LEU 217.A O no hydrogen 2.981 N/A GLU 226.A N ASP 223.A O no hydrogen 3.096 N/A ILE 227.A N ASP 223.A O no hydrogen 3.214 N/A LEU 233.A N LEU 229.A O no hydrogen 3.092 N/A LEU 234.A N PRO 230.A O no hydrogen 2.944 N/A LEU 235.A N ASP 232.A O no hydrogen 3.395 N/A ASN 236.A N ASP 232.A O no hydrogen 3.464 N/A ALA 241.A N ARG 237.A O no hydrogen 2.857 N/A ASP 242.A N ALA 238.A O no hydrogen 2.906 N/A LEU 243.A N ILE 239.A O no hydrogen 2.984 N/A TYR 244.A N MET 240.A O no hydrogen 2.594 N/A SER 246.A N ASP 264.A OD2 no hydrogen 3.001 N/A SER 246.A OG GLU 261.A O no hydrogen 2.227 N/A SER 246.A OG ASP 264.A OD1 no hydrogen 2.797 N/A SER 246.A OG ASP 264.A OD2 no hydrogen 3.129 N/A PHE 247.A N TYR 244.A O no hydrogen 3.064 N/A ALA 248.A N PRO 245.A O no hydrogen 2.960 N/A LYS 249.A N SER 246.A O no hydrogen 3.225 N/A GLY 250.A N PHE 247.A O no hydrogen 3.217 N/A PHE 254.A N ILE 251.A O no hydrogen 3.255 N/A THR 256.A N ALA 252.A O no hydrogen 3.077 N/A THR 256.A OG1 ALA 252.A O no hydrogen 2.684 N/A ASN 258.A N PRO 253.A O no hydrogen 2.736 N/A ASN 258.A ND2 THR 256.A O no hydrogen 3.384 N/A TRP 259.A NE1 PHE 254.A O no hydrogen 3.032 N/A GLU 261.A N ASN 258.A O no hydrogen 3.032 N/A TYR 262.A N TRP 259.A O no hydrogen 2.941 N/A TYR 262.A OH GLY 250.A O no hydrogen 2.714 N/A SER 263.A N SER 260.A O no hydrogen 3.331 N/A SER 263.A OG SER 260.A O no hydrogen 2.970 N/A PHE 265.A N TYR 262.A O no hydrogen 3.388 N/A LEU 266.A N TYR 262.A O no hydrogen 3.138 N/A THR 267.A OG1 SER 282.A OG no hydrogen 2.991 N/A THR 267.A OG1 ASP 283.A OD1 no hydrogen 2.437 N/A LYS 269.A N ASP 283.A OD1 no hydrogen 3.226 N/A GLY 270.A N ASP 283.A OD2 no hydrogen 2.770 N/A GLY 271.A N ALA 495.A O no hydrogen 2.818 N/A ASN 273.A N GLY 278.A O no hydrogen 2.537 N/A VAL 275.A N ASN 273.A OD1 no hydrogen 3.351 N/A GLY 277.A N ASN 273.A O no hydrogen 2.683 N/A LEU 279.A N PRO 365.A O no hydrogen 2.737 N/A SER 282.A OG THR 267.A OG1 no hydrogen 2.991 N/A THR 284.A N TRP 280.A O no hydrogen 3.134 N/A THR 284.A OG1 LEU 281.A O no hydrogen 2.762 N/A ALA 285.A N LEU 281.A O no hydrogen 2.886 N/A HIS 286.A N SER 282.A O no hydrogen 2.953 N/A HIS 287.A N ASP 283.A O no hydrogen 2.838 N/A HIS 288.A N THR 284.A O no hydrogen 2.912 N/A VAL 289.A N ALA 285.A O no hydrogen 2.980 N/A ALA 290.A N HIS 286.A O no hydrogen 2.982 N/A ILE 291.A N HIS 287.A O no hydrogen 2.878 N/A ALA 292.A N HIS 288.A O no hydrogen 2.868 N/A VAL 293.A N VAL 289.A O no hydrogen 3.022 N/A LEU 294.A N ALA 290.A O no hydrogen 2.939 N/A PHE 295.A N ILE 291.A O no hydrogen 2.879 N/A LEU 296.A N ALA 292.A O no hydrogen 2.891 N/A VAL 297.A N VAL 293.A O no hydrogen 2.953 N/A ALA 298.A N LEU 294.A O no hydrogen 2.927 N/A GLY 299.A N PHE 295.A O no hydrogen 2.925 N/A HIS 300.A N VAL 297.A O no hydrogen 3.214 N/A HIS 300.A ND1 LEU 296.A O no hydrogen 2.573 N/A TYR 302.A N ASN 189.A OD1 no hydrogen 3.214 N/A ARG 303.A N HIS 310.A O no hydrogen 2.700 N/A ARG 303.A NE GLY 307.A O no hydrogen 3.078 N/A ASN 305.A ND2 VAL 3.A O no hydrogen 2.777 N/A MET 312.A N GLU 185.A OE2 no hydrogen 2.915 N/A ILE 315.A N SER 311.A O no hydrogen 3.108 N/A LEU 316.A N MET 312.A O no hydrogen 2.926 N/A GLU 317.A N LYS 313.A O no hydrogen 2.936 N/A ALA 318.A N GLU 314.A O no hydrogen 2.936 N/A HIS 319.A N LEU 316.A O no hydrogen 3.426 N/A HIS 319.A ND1 ILE 315.A O no hydrogen 2.484 N/A ARG 320.A NH1 GLU 326.A OE1 no hydrogen 3.420 N/A GLU 326.A N ASN 414.A O no hydrogen 3.100 N/A LEU 331.A N HIS 328.A O no hydrogen 3.278 N/A TYR 332.A OH GLU 185.A OE1 no hydrogen 2.926 N/A GLU 333.A N GLU 333.A OE1 no hydrogen 2.766 N/A ILE 334.A N GLY 330.A O no hydrogen 3.092 N/A LEU 335.A N LEU 331.A O no hydrogen 2.941 N/A THR 336.A N TYR 332.A O no hydrogen 3.061 N/A THR 336.A OG1 TYR 332.A O no hydrogen 2.395 N/A THR 337.A OG1 GLU 333.A O no hydrogen 2.313 N/A SER 338.A N ILE 334.A O no hydrogen 3.087 N/A TRP 339.A NE1 SER 60.A OG no hydrogen 3.069 N/A HIS 340.A ND1 HIS 398.A ND1 no hydrogen 3.052 N/A HIS 340.A NE2 ASP 50.A OD2 no hydrogen 2.452 N/A GLN 342.A NE2 LEU 335.A O no hydrogen 3.111 N/A LEU 343.A N TRP 339.A O no hydrogen 2.910 N/A ALA 344.A N HIS 340.A O no hydrogen 2.878 N/A ILE 345.A N ALA 341.A O no hydrogen 3.055 N/A ASN 346.A N GLN 342.A O no hydrogen 2.897 N/A LEU 347.A N LEU 343.A O no hydrogen 2.831 N/A ALA 348.A N ALA 344.A O no hydrogen 3.003 N/A LEU 349.A N ILE 345.A O no hydrogen 3.041 N/A PHE 350.A N ASN 346.A O no hydrogen 2.843 N/A GLY 351.A N LEU 347.A O no hydrogen 2.898 N/A SER 352.A N ALA 348.A O no hydrogen 3.021 N/A SER 352.A OG ALA 348.A O no hydrogen 2.728 N/A LEU 353.A N LEU 349.A O no hydrogen 2.874 N/A SER 354.A N PHE 350.A O no hydrogen 2.959 N/A SER 354.A OG HIS 384.A O no hydrogen 3.092 N/A ILE 355.A N GLY 351.A O no hydrogen 3.056 N/A ILE 356.A N SER 352.A O no hydrogen 2.972 N/A VAL 357.A N LEU 353.A O no hydrogen 2.839 N/A ALA 358.A N SER 354.A O no hydrogen 3.006 N/A HIS 359.A N ILE 355.A O no hydrogen 3.073 N/A HIS 360.A N ILE 356.A O no hydrogen 2.913 N/A MET 361.A N VAL 357.A O no hydrogen 2.835 N/A TYR 362.A N ALA 358.A O no hydrogen 3.092 N/A ALA 363.A N HIS 359.A O no hydrogen 3.046 N/A MET 364.A N HIS 360.A O no hydrogen 2.935 N/A TYR 369.A N THR 276.A O no hydrogen 2.946 N/A ASP 373.A N LEU 370.A O no hydrogen 3.237 N/A TYR 374.A OH VAL 511.A O no hydrogen 3.051 N/A TYR 374.A OH GLY 610.A O no hydrogen 3.158 N/A THR 376.A OG1 ASP 373.A OD2 no hydrogen 2.838 N/A GLN 377.A N ASP 373.A O no hydrogen 3.093 N/A GLN 377.A NE2 TYR 362.A O no hydrogen 3.438 N/A LEU 378.A N TYR 374.A O no hydrogen 2.959 N/A SER 379.A N GLY 375.A O no hydrogen 2.960 N/A SER 379.A OG GLY 375.A O no hydrogen 2.513 N/A LEU 380.A N THR 376.A O no hydrogen 2.843 N/A PHE 381.A N GLN 377.A O no hydrogen 3.006 N/A THR 382.A N LEU 378.A O no hydrogen 3.001 N/A THR 382.A OG1 LEU 378.A O no hydrogen 2.602 N/A HIS 383.A N SER 379.A O no hydrogen 2.891 N/A HIS 384.A N LEU 380.A O no hydrogen 3.002 N/A THR 385.A N PHE 381.A O no hydrogen 2.971 N/A THR 385.A OG1 PHE 381.A O no hydrogen 2.324 N/A TRP 386.A N THR 382.A O no hydrogen 2.993 N/A ILE 387.A N HIS 383.A O no hydrogen 3.011 N/A GLY 388.A N HIS 384.A O no hydrogen 2.982 N/A GLY 389.A N THR 385.A O no hydrogen 3.000 N/A PHE 390.A N TRP 386.A O no hydrogen 2.991 N/A CYS 391.A N ILE 387.A O no hydrogen 3.001 N/A CYS 391.A SG ILE 387.A O no hydrogen 3.508 N/A ILE 392.A N GLY 388.A O no hydrogen 2.995 N/A VAL 393.A N GLY 389.A O no hydrogen 3.058 N/A GLY 394.A N PHE 390.A O no hydrogen 2.982 N/A ALA 395.A N CYS 391.A O no hydrogen 2.917 N/A GLY 396.A N ILE 392.A O no hydrogen 3.111 N/A ALA 397.A N VAL 393.A O no hydrogen 3.003 N/A HIS 398.A N GLY 394.A O no hydrogen 2.930 N/A HIS 398.A ND1 HIS 340.A ND1 no hydrogen 3.052 N/A ALA 399.A N ALA 395.A O no hydrogen 2.949 N/A ALA 400.A N GLY 396.A O no hydrogen 3.051 N/A ILE 401.A N ALA 397.A O no hydrogen 2.949 N/A PHE 402.A N HIS 398.A O no hydrogen 2.927 N/A MET 403.A N ALA 399.A O no hydrogen 3.010 N/A VAL 404.A N ALA 400.A O no hydrogen 2.970 N/A ARG 405.A N ILE 401.A O no hydrogen 2.899 N/A ARG 405.A NH1 ASP 48.A OD1 no hydrogen 3.168 N/A ARG 405.A NH1 ASP 50.A OD2 no hydrogen 2.908 N/A ARG 405.A NH2 ASP 48.A OD2 no hydrogen 3.207 N/A ASN 411.A N ASP 408.A O no hydrogen 3.344 N/A ASN 412.A N PRO 409.A O no hydrogen 3.369 N/A ASN 412.A ND2 ASP 408.A O no hydrogen 2.467 N/A LEU 416.A N GLY 327.A O no hydrogen 3.268 N/A ARG 419.A N ASN 415.A O no hydrogen 3.115 N/A ARG 419.A NH2 PHE 323.A O no hydrogen 2.991 N/A VAL 420.A N LEU 416.A O no hydrogen 2.936 N/A ILE 421.A N LEU 417.A O no hydrogen 2.968 N/A ARG 422.A N ASP 418.A O no hydrogen 2.908 N/A ARG 422.A NH1 ASN 414.A OD1 no hydrogen 2.585 N/A ARG 422.A NH1 ASP 418.A OD2 no hydrogen 2.807 N/A HIS 423.A N ARG 419.A O no hydrogen 2.998 N/A ARG 424.A NH1 LEU 545.A O no hydrogen 2.989 N/A ARG 424.A NH2 SER 549.A OG no hydrogen 3.202 N/A ILE 427.A N HIS 423.A O no hydrogen 3.065 N/A ILE 428.A N ARG 424.A O no hydrogen 2.914 N/A SER 429.A N ASP 425.A O no hydrogen 2.912 N/A SER 429.A OG ASP 425.A O no hydrogen 3.138 N/A SER 429.A OG ALA 426.A O no hydrogen 2.878 N/A SER 429.A OG HIS 430.A ND1 no hydrogen 3.269 N/A HIS 430.A N ALA 426.A O no hydrogen 2.985 N/A HIS 430.A ND1 ALA 426.A O no hydrogen 2.256 N/A LEU 431.A N ILE 427.A O no hydrogen 2.976 N/A ASN 432.A N ILE 428.A O no hydrogen 2.851 N/A TRP 433.A N SER 429.A O no hydrogen 2.985 N/A VAL 434.A N HIS 430.A O no hydrogen 2.957 N/A CYS 435.A N LEU 431.A O no hydrogen 2.936 N/A CYS 435.A SG LEU 431.A O no hydrogen 3.265 N/A ILE 436.A N ASN 432.A O no hydrogen 2.998 N/A PHE 437.A N TRP 433.A O no hydrogen 2.916 N/A LEU 438.A N VAL 434.A O no hydrogen 2.910 N/A GLY 439.A N CYS 435.A O no hydrogen 2.901 N/A PHE 440.A N ILE 436.A O no hydrogen 2.959 N/A HIS 441.A N PHE 437.A O no hydrogen 2.933 N/A SER 442.A OG LEU 438.A O no hydrogen 2.922 N/A SER 442.A OG GLY 439.A O no hydrogen 3.439 N/A PHE 443.A N GLY 439.A O no hydrogen 2.907 N/A GLY 444.A N PHE 440.A O no hydrogen 2.868 N/A ILE 447.A N PHE 443.A O no hydrogen 2.984 N/A HIS 448.A N GLY 444.A O no hydrogen 2.811 N/A HIS 448.A NE2 ASP 460.A O no hydrogen 2.561 N/A ASN 449.A N LEU 445.A O no hydrogen 2.908 N/A ASN 449.A ND2 PHE 462.A O no hydrogen 3.195 N/A ASN 449.A ND2 ASN 630.A O no hydrogen 2.957 N/A ASP 450.A N TYR 446.A O no hydrogen 2.885 N/A THR 451.A N ILE 447.A O no hydrogen 2.911 N/A THR 451.A OG1 ILE 447.A O no hydrogen 2.862 N/A MET 452.A N HIS 448.A O no hydrogen 2.874 N/A SER 453.A N ASN 449.A O no hydrogen 2.854 N/A ALA 454.A N ASP 450.A O no hydrogen 2.928 N/A LEU 455.A N THR 451.A O no hydrogen 2.853 N/A GLY 456.A N SER 453.A O no hydrogen 3.385 N/A ARG 457.A N MET 452.A O no hydrogen 2.784 N/A ARG 457.A NE ASP 460.A OD2 no hydrogen 3.040 N/A ARG 457.A NH2 ASP 460.A OD2 no hydrogen 3.249 N/A GLN 459.A N GLN 459.A OE1 no hydrogen 2.858 N/A ASP 460.A N ARG 457.A O no hydrogen 3.316 N/A PHE 462.A N ASN 449.A OD1 no hydrogen 2.560 N/A LEU 469.A N THR 520.A OG1 no hydrogen 3.311 N/A GLN 470.A NE2 ASP 464.A OD1 no hydrogen 2.719 N/A GLN 470.A NE2 GLN 468.A OE1 no hydrogen 3.326 N/A GLN 475.A N PRO 471.A O no hydrogen 3.039 N/A GLN 475.A NE2 GLN 470.A OE1 no hydrogen 3.232 N/A GLN 475.A NE2 LEU 518.A O no hydrogen 2.805 N/A TRP 476.A N VAL 472.A O no hydrogen 2.922 N/A ILE 477.A N PHE 473.A O no hydrogen 2.949 N/A GLN 478.A N ALA 474.A O no hydrogen 2.904 N/A GLN 478.A NE2 THR 499.A O no hydrogen 3.312 N/A GLN 478.A NE2 ILE 516.A O no hydrogen 2.607 N/A ASN 479.A N GLN 475.A O no hydrogen 2.955 N/A THR 480.A N TRP 476.A O no hydrogen 2.922 N/A THR 480.A OG1 TRP 476.A O no hydrogen 2.657 N/A HIS 481.A N ILE 477.A O no hydrogen 2.943 N/A PHE 482.A N GLN 478.A O no hydrogen 2.934 N/A LEU 483.A N ASN 479.A O no hydrogen 2.920 N/A ALA 484.A N HIS 481.A O no hydrogen 3.415 N/A GLN 486.A N LEU 483.A O no hydrogen 3.308 N/A THR 488.A OG1 ALA 484.A O no hydrogen 3.465 N/A ALA 492.A N ALA 489.A O no hydrogen 3.268 N/A LEU 493.A N PHE 268.A O no hydrogen 2.901 N/A SER 497.A OG ALA 363.A O no hydrogen 3.149 N/A SER 497.A OG THR 499.A OG1 no hydrogen 3.140 N/A THR 499.A N SER 497.A OG no hydrogen 3.040 N/A THR 499.A OG1 SER 497.A OG no hydrogen 3.140 N/A TRP 500.A NE1 THR 496.A OG1 no hydrogen 2.929 N/A VAL 505.A N MET 513.A O no hydrogen 2.901 N/A VAL 507.A N LYS 510.A O no hydrogen 2.890 N/A LYS 510.A N VAL 507.A O no hydrogen 3.335 N/A LYS 510.A NZ GLY 741.A O no hydrogen 3.226 N/A VAL 511.A N GLY 610.A O no hydrogen 2.902 N/A ALA 512.A N VAL 505.A O no hydrogen 2.672 N/A MET 513.A N VAL 505.A O no hydrogen 3.017 N/A ILE 516.A N THR 499.A O no hydrogen 3.243 N/A GLY 519.A N ASP 522.A OD2 no hydrogen 2.586 N/A THR 520.A OG1 ASP 464.A OD1 no hydrogen 2.990 N/A PHE 523.A N GLY 519.A O no hydrogen 3.084 N/A MET 524.A N THR 520.A O no hydrogen 2.948 N/A VAL 525.A N SER 521.A O no hydrogen 2.956 N/A HIS 526.A N ASP 522.A O no hydrogen 2.893 N/A HIS 526.A ND1 ASP 522.A O no hydrogen 2.369 N/A HIS 527.A N PHE 523.A O no hydrogen 3.010 N/A ILE 528.A N MET 524.A O no hydrogen 2.955 N/A HIS 529.A N VAL 525.A O no hydrogen 2.937 N/A HIS 529.A NE2 HIS 599.A ND1 no hydrogen 3.245 N/A ALA 530.A N HIS 526.A O no hydrogen 2.948 N/A PHE 531.A N HIS 527.A O no hydrogen 2.938 N/A THR 532.A N ILE 528.A O no hydrogen 2.963 N/A THR 532.A OG1 ILE 528.A O no hydrogen 3.051 N/A THR 532.A OG1 HIS 529.A O no hydrogen 2.789 N/A THR 532.A OG1 SER 592.A OG no hydrogen 2.840 N/A ILE 533.A N HIS 529.A O no hydrogen 2.949 N/A HIS 534.A N ALA 530.A O no hydrogen 2.939 N/A HIS 534.A ND1 ALA 530.A O no hydrogen 2.375 N/A VAL 535.A N PHE 531.A O no hydrogen 2.983 N/A THR 536.A N THR 532.A O no hydrogen 3.025 N/A THR 536.A OG1 THR 532.A O no hydrogen 2.800 N/A VAL 537.A N ILE 533.A O no hydrogen 2.931 N/A LEU 538.A N HIS 534.A O no hydrogen 2.873 N/A ILE 539.A N VAL 535.A O no hydrogen 2.993 N/A LEU 540.A N THR 536.A O no hydrogen 3.034 N/A LEU 541.A N VAL 537.A O no hydrogen 2.798 N/A LYS 542.A N LEU 538.A O no hydrogen 2.885 N/A LYS 542.A NZ HIS 581.A NE2 no hydrogen 3.122 N/A GLY 543.A N ILE 539.A O no hydrogen 2.966 N/A VAL 544.A N LEU 540.A O no hydrogen 2.993 N/A VAL 544.A N LEU 541.A O no hydrogen 3.213 N/A LEU 545.A N LEU 541.A O no hydrogen 2.890 N/A PHE 546.A N LYS 542.A O no hydrogen 3.054 N/A ALA 547.A N VAL 544.A O no hydrogen 3.442 N/A ARG 548.A NH1 MET 403.A O no hydrogen 3.145 N/A SER 550.A N ILE 553.A O no hydrogen 3.176 N/A LEU 552.A N SER 550.A OG no hydrogen 3.287 N/A ILE 553.A N SER 550.A OG no hydrogen 3.291 N/A LYS 556.A NZ PHE 546.A O no hydrogen 2.807 N/A LYS 556.A NZ VAL 576.A O no hydrogen 3.043 N/A ALA 557.A N ARG 548.A O no hydrogen 2.669 N/A ASN 558.A N ASP 555.A O no hydrogen 3.226 N/A LEU 559.A N LYS 556.A O no hydrogen 2.944 N/A GLY 560.A N ALA 557.A O no hydrogen 3.266 N/A ARG 562.A NH2 ASP 45.A OD1 no hydrogen 3.178 N/A ASP 566.A N THR 573.A OG1 no hydrogen 3.073 N/A ARG 570.A NH1 ASP 566.A OD2 no hydrogen 3.191 N/A ARG 570.A NH2 ASP 566.A OD2 no hydrogen 3.329 N/A GLY 572.A N GLY 569.A O no hydrogen 2.870 N/A THR 573.A N GLY 567.A O no hydrogen 3.303 N/A THR 573.A OG1 GLY 567.A O no hydrogen 2.710 N/A SER 577.A OG PHE 563.A O no hydrogen 3.168 N/A SER 577.A OG ASP 580.A OD2 no hydrogen 2.453 N/A TRP 579.A N PHE 561.A O no hydrogen 3.368 N/A ASP 580.A N SER 577.A O no hydrogen 3.194 N/A ASP 580.A N SER 577.A OG no hydrogen 3.307 N/A HIS 581.A N SER 577.A O no hydrogen 3.385 N/A HIS 581.A ND1 SER 577.A O no hydrogen 2.714 N/A VAL 582.A N ALA 578.A O no hydrogen 3.009 N/A PHE 583.A N TRP 579.A O no hydrogen 2.876 N/A LEU 584.A N ASP 580.A O no hydrogen 2.936 N/A GLY 585.A N HIS 581.A O no hydrogen 2.869 N/A LEU 586.A N VAL 582.A O no hydrogen 2.949 N/A TRP 588.A N LEU 584.A O no hydrogen 3.091 N/A MET 589.A N GLY 585.A O no hydrogen 2.844 N/A TYR 590.A N LEU 586.A O no hydrogen 2.940 N/A ASN 591.A N PHE 587.A O no hydrogen 2.969 N/A SER 592.A N TRP 588.A O no hydrogen 2.935 N/A SER 592.A OG THR 532.A OG1 no hydrogen 2.840 N/A LEU 593.A N MET 589.A O no hydrogen 2.906 N/A SER 594.A N TYR 590.A O no hydrogen 2.879 N/A ILE 595.A N ASN 591.A O no hydrogen 3.074 N/A VAL 596.A N SER 592.A O no hydrogen 2.988 N/A ILE 597.A N LEU 593.A O no hydrogen 2.922 N/A PHE 598.A N SER 594.A O no hydrogen 2.953 N/A HIS 599.A N ILE 595.A O no hydrogen 2.937 N/A PHE 600.A N VAL 596.A O no hydrogen 2.961 N/A SER 601.A N ILE 597.A O no hydrogen 2.924 N/A TRP 602.A N PHE 598.A O no hydrogen 2.989 N/A TRP 602.A NE1 ASN 624.A OD1 no hydrogen 3.107 N/A LYS 603.A N HIS 599.A O no hydrogen 2.893 N/A LYS 603.A NZ SER 517.A O no hydrogen 2.829 N/A LYS 603.A NZ ASP 522.A OD1 no hydrogen 2.932 N/A LYS 603.A NZ ASP 522.A OD2 no hydrogen 3.349 N/A LYS 603.A NZ ASP 607.A OD2 no hydrogen 2.907 N/A MET 604.A N PHE 600.A O no hydrogen 2.916 N/A GLN 605.A N SER 601.A O no hydrogen 2.964 N/A GLN 605.A NE2 SER 601.A O no hydrogen 3.515 N/A GLN 605.A NE2 GLN 643.A OE1 no hydrogen 3.255 N/A SER 606.A OG ASP 607.A OD1 no hydrogen 3.066 N/A ASP 607.A N LYS 603.A O no hydrogen 2.932 N/A VAL 608.A N MET 604.A O no hydrogen 3.211 N/A TRP 609.A N MET 604.A O no hydrogen 2.640 N/A GLY 610.A N TYR 374.A OH no hydrogen 3.304 N/A THR 611.A N SER 618.A O no hydrogen 2.866 N/A THR 611.A OG1 SER 618.A OG no hydrogen 2.708 N/A VAL 612.A N GLY 509.A O no hydrogen 2.853 N/A THR 613.A N GLY 616.A O no hydrogen 3.081 N/A THR 613.A OG1 GLY 616.A O no hydrogen 2.939 N/A SER 618.A N THR 611.A O no hydrogen 3.124 N/A ILE 620.A N TRP 609.A O no hydrogen 3.391 N/A THR 621.A N GLN 605.A O no hydrogen 3.109 N/A THR 621.A OG1 GLN 605.A O no hydrogen 3.464 N/A THR 621.A OG1 ASN 624.A OD1 no hydrogen 2.739 N/A PHE 625.A N SER 606.A OG no hydrogen 3.079 N/A SER 628.A N ASN 624.A O no hydrogen 2.986 N/A SER 628.A OG ASN 624.A O no hydrogen 3.497 N/A SER 628.A OG ASP 638.A OD2 no hydrogen 2.839 N/A ALA 629.A N PHE 625.A O no hydrogen 2.967 N/A ILE 632.A N ASP 450.A OD2 no hydrogen 2.927 N/A ASN 633.A N ASP 450.A OD1 no hydrogen 3.294 N/A GLY 634.A N THR 631.A OG1 no hydrogen 3.161 N/A TRP 635.A N THR 631.A O no hydrogen 3.319 N/A TRP 635.A NE1 ALA 629.A O no hydrogen 2.969 N/A LEU 636.A N ILE 632.A O no hydrogen 2.941 N/A ARG 637.A N ASN 633.A O no hydrogen 2.873 N/A ARG 637.A NE ASP 638.A OD1 no hydrogen 3.235 N/A ARG 637.A NE ASP 638.A OD2 no hydrogen 3.292 N/A ARG 637.A NH2 ASP 638.A OD2 no hydrogen 3.326 N/A ASP 638.A N GLY 634.A O no hydrogen 2.888 N/A LEU 640.A N TRP 635.A O no hydrogen 2.896 N/A TRP 641.A N LEU 636.A O no hydrogen 2.856 N/A ALA 642.A N ARG 637.A O no hydrogen 2.898 N/A SER 644.A OG LEU 640.A O no hydrogen 2.994 N/A SER 644.A OG TRP 641.A O no hydrogen 3.247 N/A SER 645.A OG ALA 642.A O no hydrogen 2.856 N/A ILE 648.A N SER 644.A O no hydrogen 3.230 N/A GLN 649.A N SER 645.A O no hydrogen 3.147 N/A SER 650.A OG VAL 647.A O no hydrogen 2.818 N/A SER 650.A OG LEU 655.A O no hydrogen 3.524 N/A SER 653.A N SER 650.A O no hydrogen 3.331 N/A SER 653.A OG SER 650.A O no hydrogen 2.625 N/A LEU 655.A N SER 653.A OG no hydrogen 3.424 N/A SER 656.A N SER 653.A O no hydrogen 3.465 N/A SER 656.A OG SER 653.A O no hydrogen 3.052 N/A TYR 658.A N LEU 655.A O no hydrogen 2.973 N/A GLY 659.A N LEU 655.A O no hydrogen 3.463 N/A LEU 660.A N SER 656.A O no hydrogen 2.935 N/A ILE 661.A N ALA 657.A O no hydrogen 2.854 N/A PHE 662.A N TYR 658.A O no hydrogen 2.662 N/A LEU 663.A N GLY 659.A O no hydrogen 2.990 N/A LEU 663.A N LEU 660.A O no hydrogen 3.014 N/A GLY 664.A N LEU 660.A O no hydrogen 2.806 N/A ALA 665.A N ILE 661.A O no hydrogen 2.638 N/A HIS 666.A N LEU 663.A O no hydrogen 2.992 N/A HIS 666.A ND1 PHE 662.A O no hydrogen 2.483 N/A PHE 667.A N LEU 663.A O no hydrogen 3.216 N/A PHE 667.A N GLY 664.A O no hydrogen 2.968 N/A VAL 668.A N GLY 664.A O no hydrogen 3.118 N/A TRP 669.A N ALA 665.A O no hydrogen 3.294 N/A ALA 670.A N HIS 666.A O no hydrogen 3.291 N/A PHE 671.A N PHE 667.A O no hydrogen 2.676 N/A SER 672.A N VAL 668.A O no hydrogen 2.914 N/A SER 672.A N TRP 669.A O no hydrogen 3.009 N/A SER 672.A OG TRP 669.A O no hydrogen 2.404 N/A LEU 673.A N ALA 670.A O no hydrogen 3.002 N/A MET 674.A N PHE 671.A O no hydrogen 3.003 N/A PHE 675.A N SER 672.A O no hydrogen 2.984 N/A LEU 676.A N SER 672.A O no hydrogen 2.995 N/A PHE 677.A N LEU 673.A O no hydrogen 3.275 N/A SER 678.A OG MET 674.A O no hydrogen 2.360 N/A ARG 680.A NE LEU 708.A O no hydrogen 2.824 N/A ARG 680.A NH2 GLN 684.A OE1 no hydrogen 3.101 N/A ARG 680.A NH2 ALA 707.A O no hydrogen 2.757 N/A TRP 683.A NE1 SER 678.A OG no hydrogen 3.120 N/A GLN 684.A N ARG 680.A O no hydrogen 2.897 N/A GLN 684.A NE2 GLN 684.A O no hydrogen 3.274 N/A GLU 685.A N GLY 681.A O no hydrogen 3.052 N/A LEU 686.A N TYR 682.A O no hydrogen 2.957 N/A ILE 687.A N TRP 683.A O no hydrogen 2.877 N/A GLU 688.A N GLN 684.A O no hydrogen 2.924 N/A SER 689.A N GLU 685.A O no hydrogen 3.109 N/A ILE 690.A N LEU 686.A O no hydrogen 3.031 N/A VAL 691.A N ILE 687.A O no hydrogen 2.766 N/A TRP 692.A N GLU 688.A O no hydrogen 2.945 N/A ALA 693.A N SER 689.A O no hydrogen 3.076 N/A HIS 694.A N ILE 690.A O no hydrogen 2.966 N/A HIS 694.A ND1 ILE 690.A O no hydrogen 2.905 N/A ASN 695.A N VAL 691.A O no hydrogen 2.819 N/A ASN 695.A ND2 VAL 691.A O no hydrogen 3.176 N/A LYS 696.A N TRP 692.A O no hydrogen 2.990 N/A LEU 697.A N HIS 694.A O no hydrogen 3.251 N/A LYS 698.A N ASN 695.A O no hydrogen 3.314 N/A VAL 699.A N HIS 694.A O no hydrogen 2.791 N/A GLN 704.A N ASN 34.A O no hydrogen 2.996 N/A ARG 706.A N THR 36.A OG1 no hydrogen 2.918 N/A ALA 707.A N GLN 684.A OE1 no hydrogen 2.753 N/A GLN 712.A N SER 709.A OG no hydrogen 3.019 N/A GLY 713.A N SER 709.A O no hydrogen 2.672 N/A ARG 714.A N ILE 710.A O no hydrogen 3.030 N/A ARG 714.A NH1 PRO 564.A O no hydrogen 3.039 N/A ARG 714.A NH1 ASP 580.A OD1 no hydrogen 2.877 N/A ALA 715.A N THR 711.A O no hydrogen 2.899 N/A VAL 716.A N GLN 712.A O no hydrogen 2.845 N/A GLY 717.A N GLY 713.A O no hydrogen 2.976 N/A VAL 718.A N ARG 714.A O no hydrogen 2.935 N/A ALA 719.A N ALA 715.A O no hydrogen 2.915 N/A HIS 720.A N VAL 716.A O no hydrogen 2.953 N/A HIS 720.A ND1 VAL 716.A O no hydrogen 2.775 N/A TYR 721.A N GLY 717.A O no hydrogen 2.914 N/A LEU 722.A N VAL 718.A O no hydrogen 2.956 N/A LEU 723.A N ALA 719.A O no hydrogen 2.940 N/A GLY 724.A N HIS 720.A O no hydrogen 2.877 N/A GLY 725.A N TYR 721.A O no hydrogen 2.977 N/A ILE 726.A N LEU 722.A O no hydrogen 2.937 N/A ALA 727.A N LEU 723.A O no hydrogen 2.900 N/A THR 728.A N GLY 724.A O no hydrogen 2.921 N/A THR 728.A OG1 GLY 724.A O no hydrogen 2.283 N/A THR 729.A N GLY 725.A O no hydrogen 3.027 N/A THR 729.A OG1 GLY 725.A O no hydrogen 3.011 N/A TRP 730.A N ILE 726.A O no hydrogen 2.855 N/A SER 731.A N ALA 727.A O no hydrogen 2.920 N/A SER 731.A OG TYR 658.A O no hydrogen 3.567 N/A SER 731.A OG ALA 727.A O no hydrogen 3.083 N/A PHE 732.A N THR 728.A O no hydrogen 2.996 N/A PHE 733.A N THR 729.A O no hydrogen 2.855 N/A LEU 734.A N TRP 730.A O no hydrogen 2.927 N/A ALA 735.A N SER 731.A O no hydrogen 2.962 N/A ARG 736.A N PHE 732.A O no hydrogen 3.000 N/A ARG 736.A NE GLN 605.A OE1 no hydrogen 2.884 N/A ARG 736.A NH1 GLN 646.A OE1 no hydrogen 3.069 N/A ARG 736.A NH2 GLN 605.A OE1 no hydrogen 3.030 N/A ILE 737.A N PHE 733.A O no hydrogen 2.860 N/A ILE 738.A N LEU 734.A O no hydrogen 2.917 N/A SER 739.A N ALA 735.A O no hydrogen 2.994 N/A VAL 740.A N ARG 736.A O no hydrogen 2.937 N/A GLY 741.A N ILE 737.A O no hydrogen 3.062 N/A