Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xkx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N PHE 1.A O no hydrogen 2.805 N/A VAL 5.A N VAL 2.A O no hydrogen 3.308 N/A ASP 6.A N SER 164.A OG no hydrogen 2.786 N/A ASN 7.A N MET 4.A O no hydrogen 3.247 N/A ASN 7.A ND2 HIS 91.A O no hydrogen 3.035 N/A ASN 7.A ND2 MET 165.A O no hydrogen 2.881 N/A LEU 8.A N GLY 163.A O no hydrogen 2.889 N/A ARG 9.A N TYR 17.A O no hydrogen 3.026 N/A ARG 9.A NH1 ASP 6.A OD1 no hydrogen 2.802 N/A ARG 9.A NH1 LEU 8.A O no hydrogen 2.782 N/A ARG 9.A NH2 ASP 6.A OD1 no hydrogen 3.379 N/A ARG 9.A NH2 ASP 6.A OD2 no hydrogen 2.709 N/A LYS 11.A NZ GLY 114.A O no hydrogen 2.686 N/A SER 12.A N ALA 159.A O no hydrogen 3.031 N/A SER 12.A OG ALA 159.A O no hydrogen 3.203 N/A GLN 14.A N LYS 11.A O no hydrogen 2.906 N/A TYR 16.A OH GLU 317.A OE2 no hydrogen 2.743 N/A TYR 17.A N ARG 9.A O no hydrogen 2.801 N/A VAL 18.A N ILE 31.A O no hydrogen 2.837 N/A MET 20.A N LEU 29.A O no hydrogen 2.823 N/A THR 21.A N SER 88.A O no hydrogen 2.814 N/A THR 21.A OG1 SER 88.A OG no hydrogen 2.611 N/A VAL 22.A N GLN 27.A O no hydrogen 2.972 N/A GLY 23.A N LEU 86.A O no hydrogen 2.819 N/A SER 24.A N SER 59.A OG no hydrogen 3.182 N/A SER 24.A OG THR 61.A OG1 no hydrogen 2.655 N/A GLN 27.A N VAL 22.A O no hydrogen 2.850 N/A GLN 27.A NE2 GLN 55.A O no hydrogen 2.998 N/A LEU 29.A N MET 20.A O no hydrogen 2.865 N/A ASN 30.A N GLU 118.A OE1 no hydrogen 2.853 N/A ASN 30.A ND2 ASN 116.A O no hydrogen 3.096 N/A ILE 31.A N VAL 18.A O no hydrogen 2.856 N/A LEU 32.A N GLY 119.A O no hydrogen 2.808 N/A VAL 33.A N TYR 16.A O no hydrogen 2.778 N/A ASP 34.A N LEU 121.A O no hydrogen 2.964 N/A THR 35.A N SER 220.A OG no hydrogen 2.911 N/A THR 35.A OG1 VAL 218.A O no hydrogen 2.989 N/A GLY 36.A N ASP 34.A OD1 no hydrogen 3.017 N/A SER 37.A OG ASP 34.A OD2 no hydrogen 2.662 N/A SER 38.A OG TYR 125.A O no hydrogen 2.711 N/A ASN 39.A ND2 ARG 130.A O no hydrogen 2.858 N/A ALA 41.A N ILE 120.A O no hydrogen 3.046 N/A VAL 42.A N ALA 102.A O no hydrogen 2.914 N/A GLY 43.A N GLU 118.A O no hydrogen 2.829 N/A ALA 44.A N ILE 104.A O no hydrogen 3.111 N/A HIS 47.A N ALA 45.A O no hydrogen 2.817 N/A PHE 49.A N HIS 47.A ND1 no hydrogen 3.156 N/A LEU 50.A N HIS 47.A O no hydrogen 3.004 N/A ARG 52.A NE GLU 118.A OE1 no hydrogen 2.930 N/A TYR 54.A N GLY 43.A O no hydrogen 2.782 N/A TYR 54.A OH ASP 85.A OD2 no hydrogen 2.660 N/A GLN 55.A N GLN 27.A OE1 no hydrogen 2.888 N/A ARG 56.A NH1 GLU 81.A OE2 no hydrogen 2.745 N/A ARG 56.A NH2 GLU 81.A OE2 no hydrogen 2.975 N/A GLN 57.A N GLN 57.A OE1 no hydrogen 2.931 N/A LEU 58.A N GLN 55.A O no hydrogen 3.053 N/A SER 59.A N ARG 56.A O no hydrogen 3.197 N/A SER 59.A OG ASP 85.A OD1 no hydrogen 3.305 N/A SER 59.A OG ASP 85.A OD2 no hydrogen 2.693 N/A SER 60.A N SER 24.A O no hydrogen 3.041 N/A SER 60.A OG SER 24.A O no hydrogen 3.545 N/A THR 61.A OG1 SER 24.A OG no hydrogen 2.655 N/A THR 61.A OG1 SER 59.A OG no hydrogen 3.371 N/A THR 61.A OG1 ASP 85.A OD1 no hydrogen 2.696 N/A TYR 62.A N SER 59.A O no hydrogen 3.406 N/A ARG 63.A N THR 84.A O no hydrogen 2.885 N/A LEU 65.A N LEU 82.A O no hydrogen 3.057 N/A ARG 66.A N ASP 64.A OD1 no hydrogen 2.678 N/A VAL 69.A N GLY 80.A O no hydrogen 2.910 N/A VAL 71.A N TRP 78.A O no hydrogen 2.807 N/A TYR 73.A N GLY 76.A O no hydrogen 2.932 N/A GLY 76.A N TYR 73.A O no hydrogen 3.370 N/A LYS 77.A N ASP 108.A O no hydrogen 2.867 N/A LYS 77.A NZ GLU 79.A OE2 no hydrogen 2.860 N/A TRP 78.A N VAL 71.A O no hydrogen 3.048 N/A GLU 79.A N GLU 106.A O no hydrogen 2.828 N/A GLY 80.A N VAL 69.A O no hydrogen 2.858 N/A GLU 81.A N ALA 103.A O no hydrogen 2.925 N/A LEU 82.A N LYS 67.A O no hydrogen 2.854 N/A GLY 83.A N ILE 101.A O no hydrogen 2.984 N/A THR 84.A N ARG 63.A O no hydrogen 2.779 N/A ASP 85.A N ALA 99.A O no hydrogen 3.107 N/A LEU 86.A N ASP 85.A OD1 no hydrogen 2.706 N/A VAL 87.A N VAL 97.A O no hydrogen 2.741 N/A SER 88.A N THR 21.A O no hydrogen 3.049 N/A SER 88.A OG THR 21.A OG1 no hydrogen 2.611 N/A GLY 92.A N ILE 89.A O no hydrogen 2.874 N/A VAL 95.A N PRO 93.A O no hydrogen 2.898 N/A VAL 97.A N VAL 87.A O no hydrogen 3.021 N/A ARG 98.A N GLN 145.A OE1 no hydrogen 2.934 N/A ARG 98.A NH1 THR 61.A O no hydrogen 3.019 N/A ARG 98.A NH1 THR 84.A OG1 no hydrogen 2.885 N/A ARG 98.A NH2 THR 61.A O no hydrogen 3.016 N/A ALA 99.A N ASP 85.A O no hydrogen 2.956 N/A ASN 100.A ND2 GLU 136.A O no hydrogen 2.938 N/A ILE 101.A N GLY 83.A O no hydrogen 2.826 N/A ALA 102.A N PHE 40.A O no hydrogen 2.941 N/A ALA 103.A N GLU 81.A O no hydrogen 2.838 N/A ILE 104.A N VAL 42.A O no hydrogen 2.737 N/A THR 105.A N GLU 79.A O no hydrogen 2.957 N/A GLU 106.A N GLU 79.A O no hydrogen 3.339 N/A ASP 108.A N LYS 77.A O no hydrogen 2.797 N/A SER 115.A N ILE 112.A O no hydrogen 3.148 N/A SER 115.A OG ILE 112.A O no hydrogen 3.147 N/A ASN 116.A ND2 TYR 17.A OH no hydrogen 2.847 N/A TRP 117.A NE1 GLN 14.A O no hydrogen 2.917 N/A GLU 118.A N ASN 30.A O no hydrogen 2.800 N/A ILE 120.A N ALA 41.A O no hydrogen 2.765 N/A LEU 121.A N LEU 32.A O no hydrogen 2.737 N/A GLY 122.A N ASN 39.A O no hydrogen 2.968 N/A LEU 123.A N ASP 34.A O no hydrogen 2.904 N/A ALA 124.A N SER 37.A O no hydrogen 2.831 N/A TYR 125.A N TRP 188.A O no hydrogen 2.930 N/A ILE 128.A N TYR 125.A O no hydrogen 3.253 N/A ALA 129.A N ALA 126.A O no hydrogen 3.029 N/A ARG 130.A N ASN 39.A OD1 no hydrogen 2.832 N/A ARG 130.A NH1 ALA 129.A O no hydrogen 3.152 N/A SER 134.A N ASP 132.A OD1 no hydrogen 2.786 N/A SER 134.A OG ASP 132.A OD1 no hydrogen 2.198 N/A LEU 135.A N ASP 132.A O no hydrogen 3.170 N/A SER 141.A N PRO 137.A O no hydrogen 3.152 N/A SER 141.A OG GLU 136.A OE1 no hydrogen 2.626 N/A SER 141.A OG PRO 137.A O no hydrogen 3.337 N/A LEU 142.A N PHE 138.A O no hydrogen 2.859 N/A VAL 143.A N PHE 139.A O no hydrogen 3.026 N/A LYS 144.A N ASP 140.A O no hydrogen 2.951 N/A GLN 145.A N SER 141.A O no hydrogen 3.021 N/A GLN 145.A NE2 ARG 98.A O no hydrogen 2.832 N/A THR 146.A OG1 LEU 142.A O no hydrogen 2.508 N/A VAL 148.A N THR 146.A OG1 no hydrogen 3.041 N/A LEU 151.A N PRO 149.A O no hydrogen 2.877 N/A PHE 152.A N PHE 323.A O no hydrogen 3.389 N/A SER 153.A N ILE 166.A O no hydrogen 2.912 N/A SER 153.A OG GLY 169.A O no hydrogen 2.977 N/A SER 153.A OG TYR 320.A OH no hydrogen 2.588 N/A LEU 154.A N VAL 321.A O no hydrogen 2.776 N/A GLN 155.A N SER 164.A O no hydrogen 2.872 N/A GLN 155.A NE2 LEU 174.A O no hydrogen 2.855 N/A CYS 157.A N GLY 162.A O no hydrogen 2.837 N/A CYS 157.A SG GLN 155.A OE1 no hydrogen 3.294 N/A GLY 158.A N TYR 16.A OH no hydrogen 2.803 N/A VAL 161.A N GLY 10.A O no hydrogen 3.017 N/A GLY 163.A N LEU 8.A O no hydrogen 3.256 N/A SER 164.A N GLN 155.A O no hydrogen 2.822 N/A MET 165.A N ASN 7.A OD1 no hydrogen 2.751 N/A ILE 166.A N SER 153.A O no hydrogen 2.841 N/A GLY 168.A N LEU 151.A O no hydrogen 2.813 N/A ASP 171.A N TYR 320.A OH no hydrogen 2.934 N/A HIS 172.A ND1 TYR 175.A OH no hydrogen 2.650 N/A SER 173.A N ASP 171.A OD1 no hydrogen 2.948 N/A SER 173.A OG ASP 171.A OD1 no hydrogen 2.553 N/A LEU 174.A N ASP 171.A O no hydrogen 3.004 N/A TYR 175.A N HIS 172.A O no hydrogen 3.508 N/A TYR 175.A OH HIS 172.A ND1 no hydrogen 2.650 N/A THR 176.A N VAL 334.A O no hydrogen 3.068 N/A SER 178.A OG LEU 179.A O no hydrogen 2.765 N/A TRP 180.A N PHE 332.A O no hydrogen 2.901 N/A THR 182.A N ILE 330.A O no hydrogen 2.877 N/A THR 182.A OG1 MET 274.A O no hydrogen 2.637 N/A ILE 184.A N LYS 328.A O no hydrogen 2.898 N/A ARG 185.A N GLU 191.A O no hydrogen 2.873 N/A ARG 185.A NH1 GLU 191.A OE2 no hydrogen 3.077 N/A ARG 185.A NH1 TYR 362.A O no hydrogen 2.881 N/A ARG 185.A NH2 TYR 362.A O no hydrogen 3.049 N/A ARG 186.A NH1 GLU 127.A OE2 no hydrogen 2.253 N/A TRP 188.A N ARG 186.A O no hydrogen 3.143 N/A TRP 188.A N TYR 189.A O no hydrogen 3.083 N/A TRP 188.A NE1 GLU 191.A OE1 no hydrogen 2.877 N/A TYR 190.A OH LEU 123.A O no hydrogen 2.572 N/A VAL 192.A N SER 216.A O no hydrogen 2.875 N/A ILE 194.A N ASN 212.A OD1 no hydrogen 2.820 N/A VAL 195.A N TYR 272.A O no hydrogen 2.781 N/A ARG 196.A NE GLU 198.A OE2 no hydrogen 2.997 N/A ARG 196.A NH2 GLU 198.A OE2 no hydrogen 3.472 N/A GLU 198.A N SER 270.A O no hydrogen 2.994 N/A ILE 199.A N GLN 202.A O no hydrogen 2.971 N/A ASN 200.A N VAL 268.A O no hydrogen 2.862 N/A GLN 202.A N ILE 199.A O no hydrogen 2.912 N/A LEU 204.A N VAL 197.A O no hydrogen 2.943 N/A LYS 205.A N ASP 203.A OD1 no hydrogen 2.856 N/A MET 206.A N TYR 211.A OH no hydrogen 3.420 N/A LYS 209.A N ASP 207.A OD1 no hydrogen 3.111 N/A LYS 209.A NZ ASP 359.A O no hydrogen 3.016 N/A LYS 209.A NZ GLY 361.A O no hydrogen 3.035 N/A GLU 210.A N ASP 207.A O no hydrogen 2.931 N/A TYR 211.A N CYS 208.A O no hydrogen 3.023 N/A ASN 212.A N LYS 209.A O no hydrogen 3.173 N/A ASN 212.A ND2 ILE 194.A O no hydrogen 2.774 N/A ASN 212.A ND2 CYS 208.A O no hydrogen 3.062 N/A ASN 212.A ND2 CYS 360.A O no hydrogen 3.025 N/A TYR 213.A N GLU 210.A O no hydrogen 3.406 N/A LYS 215.A NZ THR 307.A O no hydrogen 2.887 N/A SER 216.A OG ASN 212.A OD1 no hydrogen 2.704 N/A ILE 217.A N THR 309.A O no hydrogen 3.018 N/A VAL 218.A N TYR 190.A O no hydrogen 3.050 N/A ASP 219.A N MET 311.A O no hydrogen 2.980 N/A SER 220.A N THR 35.A OG1 no hydrogen 2.846 N/A SER 220.A OG VAL 33.A O no hydrogen 2.801 N/A GLY 221.A N ASP 219.A OD1 no hydrogen 2.860 N/A THR 222.A N ASP 219.A O no hydrogen 3.331 N/A THR 222.A OG1 ASP 219.A OD2 no hydrogen 2.699 N/A LEU 225.A N ALA 301.A O no hydrogen 3.127 N/A ARG 226.A N VAL 310.A O no hydrogen 2.986 N/A ARG 226.A NH1 THR 307.A OG1 no hydrogen 3.026 N/A LEU 227.A N SER 303.A O no hydrogen 2.741 N/A LYS 229.A NZ GLN 304.A OE1 no hydrogen 2.811 N/A PHE 232.A N PRO 228.A O no hydrogen 2.784 N/A GLU 233.A N LYS 229.A O no hydrogen 2.855 N/A ALA 234.A N LYS 230.A O no hydrogen 3.200 N/A ALA 235.A N VAL 231.A O no hydrogen 2.822 N/A VAL 236.A N PHE 232.A O no hydrogen 2.799 N/A LYS 237.A N GLU 233.A O no hydrogen 3.054 N/A SER 238.A N ALA 234.A O no hydrogen 3.107 N/A ILE 239.A N ALA 235.A O no hydrogen 2.770 N/A LYS 240.A N VAL 236.A O no hydrogen 2.597 N/A ALA 241.A N LYS 237.A O no hydrogen 3.021 N/A ALA 242.A N SER 238.A O no hydrogen 2.812 N/A SER 243.A N ILE 239.A O no hydrogen 3.020 N/A SER 243.A N LYS 240.A O no hydrogen 3.276 N/A SER 243.A OG ILE 239.A O no hydrogen 2.712 N/A SER 243.A OG LYS 240.A O no hydrogen 3.410 N/A SER 244.A N ALA 241.A O no hydrogen 3.454 N/A SER 244.A OG ALA 241.A O no hydrogen 3.312 N/A GLU 246.A N SER 243.A O no hydrogen 3.363 N/A LYS 247.A NZ SER 244.A O no hydrogen 3.290 N/A PHE 252.A N PRO 249.A O no hydrogen 3.179 N/A LEU 254.A N GLY 251.A O no hydrogen 3.013 N/A GLY 255.A N PHE 252.A O no hydrogen 2.982 N/A GLU 256.A N GLY 251.A O no hydrogen 2.768 N/A GLN 257.A NE2 LEU 258.A O no hydrogen 3.262 N/A VAL 259.A N TYR 298.A O no hydrogen 3.184 N/A TRP 261.A N ASP 296.A O no hydrogen 2.941 N/A TRP 261.A NE1 GLU 246.A OE1 no hydrogen 3.037 N/A PHE 266.A N TRP 263.A O no hydrogen 2.948 N/A VAL 268.A N ASN 200.A OD1 no hydrogen 3.028 N/A ILE 269.A N ILE 286.A O no hydrogen 3.181 N/A SER 270.A N GLU 198.A O no hydrogen 2.887 N/A SER 270.A OG THR 285.A OG1 no hydrogen 2.475 N/A LEU 271.A N ILE 284.A O no hydrogen 2.842 N/A TYR 272.A N ARG 196.A O no hydrogen 2.800 N/A TYR 272.A OH GLU 198.A OE1 no hydrogen 3.152 N/A TYR 272.A OH GLU 198.A OE2 no hydrogen 2.965 N/A LEU 273.A N PHE 282.A O no hydrogen 2.849 N/A MET 274.A N ILE 193.A O no hydrogen 3.048 N/A GLY 275.A N GLN 280.A O no hydrogen 2.785 N/A VAL 277.A N GLN 280.A OE1 no hydrogen 3.025 N/A GLN 280.A N VAL 277.A O no hydrogen 3.002 N/A GLN 280.A NE2 SER 281.A O no hydrogen 3.179 N/A SER 281.A N PHE 352.A O no hydrogen 2.996 N/A SER 281.A OG THR 354.A OG1 no hydrogen 2.733 N/A PHE 282.A N LEU 273.A O no hydrogen 3.210 N/A ARG 283.A N GLU 349.A O no hydrogen 2.780 N/A ARG 283.A NE GLU 349.A OE2 no hydrogen 2.830 N/A ARG 283.A NH1 TYR 272.A OH no hydrogen 3.043 N/A ARG 283.A NH2 GLU 349.A OE2 no hydrogen 2.784 N/A ILE 284.A N LEU 271.A O no hydrogen 2.896 N/A THR 285.A N ALA 347.A O no hydrogen 2.892 N/A THR 285.A OG1 SER 270.A OG no hydrogen 2.475 N/A ILE 286.A N ILE 269.A O no hydrogen 2.943 N/A LEU 287.A N GLN 290.A OE1 no hydrogen 2.854 N/A GLN 289.A N GLN 289.A OE1 no hydrogen 2.834 N/A GLN 289.A NE2 ASP 341.A OD2 no hydrogen 3.061 N/A GLN 290.A N LEU 287.A O no hydrogen 2.920 N/A GLN 290.A NE2 VAL 339.A O no hydrogen 2.901 N/A TYR 291.A N LEU 287.A O no hydrogen 3.284 N/A TYR 291.A OH PRO 267.A O no hydrogen 2.645 N/A LEU 292.A N PRO 288.A O no hydrogen 2.718 N/A ARG 293.A N LYS 299.A O no hydrogen 2.787 N/A TYR 298.A N VAL 259.A O no hydrogen 2.936 N/A LYS 299.A N ARG 293.A O no hydrogen 2.653 N/A ALA 301.A N TYR 291.A O no hydrogen 2.798 N/A SER 303.A N LEU 225.A O no hydrogen 2.961 N/A SER 305.A OG THR 307.A OG1 no hydrogen 3.189 N/A SER 305.A OG GLY 308.A O no hydrogen 2.708 N/A THR 307.A N SER 305.A OG no hydrogen 2.827 N/A THR 307.A OG1 SER 305.A OG no hydrogen 3.189 N/A THR 309.A N LYS 215.A O no hydrogen 2.811 N/A THR 309.A OG1 TYR 211.A O no hydrogen 2.668 N/A VAL 310.A N ARG 226.A O no hydrogen 2.828 N/A MET 311.A N ILE 217.A O no hydrogen 2.854 N/A ALA 313.A N THR 222.A O no hydrogen 2.762 N/A VAL 314.A N THR 223.A O no hydrogen 2.983 N/A MET 316.A N GLY 312.A O no hydrogen 2.870 N/A GLU 317.A N ALA 313.A O no hydrogen 2.820 N/A GLY 318.A N ILE 315.A O no hydrogen 3.006 N/A PHE 319.A N MET 316.A O no hydrogen 2.997 N/A TYR 320.A N ALA 333.A O no hydrogen 2.771 N/A VAL 321.A N LEU 154.A O no hydrogen 2.917 N/A VAL 322.A N GLY 331.A O no hydrogen 2.802 N/A PHE 323.A N PHE 152.A O no hydrogen 2.797 N/A ASP 324.A N ARG 329.A O no hydrogen 2.931 N/A ARG 325.A N PHE 323.A O no hydrogen 2.941 N/A ARG 325.A NE ASN 150.A OD1 no hydrogen 2.917 N/A ARG 325.A NH1 ASP 140.A OD1 no hydrogen 3.024 N/A ARG 325.A NH2 TYR 190.A OH no hydrogen 2.935 N/A ALA 326.A N ASN 150.A O no hydrogen 2.963 N/A ARG 327.A N ASP 324.A O no hydrogen 3.213 N/A ARG 327.A N ASP 324.A OD1 no hydrogen 3.221 N/A LYS 328.A N ARG 325.A O no hydrogen 3.103 N/A ARG 329.A N ASP 324.A O no hydrogen 3.133 N/A ARG 329.A NE ASP 324.A OD2 no hydrogen 2.742 N/A ARG 329.A NH1 GLU 276.A OE2 no hydrogen 2.740 N/A ARG 329.A NH2 ASP 324.A OD2 no hydrogen 3.302 N/A ILE 330.A N THR 182.A O no hydrogen 2.770 N/A GLY 331.A N VAL 322.A O no hydrogen 2.806 N/A PHE 332.A N TRP 180.A O no hydrogen 2.795 N/A ALA 333.A N TYR 320.A O no hydrogen 3.049 N/A SER 335.A N GLY 318.A O no hydrogen 3.109 N/A ALA 336.A N LEU 174.A O no hydrogen 3.005 N/A CYS 337.A N SER 335.A OG no hydrogen 3.170 N/A CYS 337.A SG SER 335.A OG no hydrogen 3.273 N/A HIS 338.A N SER 335.A O no hydrogen 3.389 N/A HIS 338.A ND1 SER 335.A O no hydrogen 2.726 N/A HIS 340.A ND1 ASP 341.A O no hydrogen 3.051 N/A ASP 341.A N ARG 344.A O no hydrogen 3.425 N/A PHE 343.A N ASP 341.A OD1 no hydrogen 3.079 N/A ARG 344.A N ASP 341.A OD1 no hydrogen 2.793 N/A ARG 344.A NH1 PHE 266.A O no hydrogen 2.862 N/A ARG 344.A NH2 PHE 266.A O no hydrogen 2.881 N/A THR 345.A OG1 ALA 346.A O no hydrogen 3.380 N/A ALA 346.A N HIS 338.A NE2 no hydrogen 3.196 N/A ALA 347.A N THR 285.A O no hydrogen 3.128 N/A GLU 349.A N ARG 283.A O no hydrogen 2.867 N/A PHE 352.A N SER 281.A O no hydrogen 2.895 N/A THR 354.A N ASN 279.A O no hydrogen 2.968 N/A THR 354.A OG1 SER 281.A OG no hydrogen 2.733 N/A ASP 359.A N ASP 356.A O no hydrogen 3.108 N/A CYS 360.A N MET 357.A O no hydrogen 3.198 N/A CYS 360.A SG ASP 356.A O no hydrogen 3.899 N/A