Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1mpx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG THR 4.A OG1 no hydrogen 2.761 N/A THR 4.A OG1 SER 2.A O no hydrogen 3.088 N/A THR 4.A OG1 SER 2.A OG no hydrogen 2.761 N/A THR 8.A OG1 LYS 10.A O no hydrogen 2.591 N/A ASN 19.A N ASP 16.A O no hydrogen 3.315 N/A ASP 20.A N PRO 68.A O no hydrogen 2.934 N/A TYR 21.A OH SER 67.A O no hydrogen 2.793 N/A ILE 22.A N LEU 40.A O no hydrogen 2.871 N/A LYS 23.A NZ THR 62.A O no hydrogen 2.803 N/A ARG 24.A N ILE 38.A O no hydrogen 2.817 N/A ARG 24.A NH1 ASN 132.A O no hydrogen 3.271 N/A VAL 26.A N THR 36.A O no hydrogen 2.903 N/A ARG 29.A NE ASP 124.A OD1 no hydrogen 3.492 N/A ARG 29.A NE ASP 124.A OD2 no hydrogen 3.124 N/A ARG 29.A NH2 ASP 124.A OD1 no hydrogen 3.059 N/A VAL 32.A N ASP 30.A OD1 no hydrogen 3.311 N/A LYS 33.A N GLU 99.A OE1 no hydrogen 3.117 N/A LEU 34.A N ILE 27.A O no hydrogen 2.921 N/A HIS 35.A N SER 98.A OG no hydrogen 2.839 N/A HIS 35.A ND1 ASP 91.A OD2 no hydrogen 2.822 N/A HIS 35.A NE2 GLU 25.A OE1 no hydrogen 2.599 N/A THR 36.A N VAL 26.A O no hydrogen 2.895 N/A THR 36.A OG1 LEU 34.A O no hydrogen 3.086 N/A VAL 37.A N PHE 89.A O no hydrogen 2.814 N/A ILE 38.A N ARG 24.A O no hydrogen 2.772 N/A VAL 39.A N ARG 87.A O no hydrogen 2.819 N/A LEU 40.A N ILE 22.A O no hydrogen 2.987 N/A LYS 42.A N ASP 20.A O no hydrogen 3.123 N/A LYS 42.A NZ ASN 19.A O no hydrogen 2.636 N/A ALA 44.A N PRO 41.A O no hydrogen 3.153 N/A LYS 45.A NZ LYS 45.A O no hydrogen 3.105 N/A ASN 46.A ND2 ASP 341.A OD2 no hydrogen 2.636 N/A ALA 47.A N GLU 135.A O no hydrogen 3.039 N/A ILE 49.A N LYS 139.A O no hydrogen 3.080 N/A VAL 50.A N ILE 86.A O no hydrogen 2.970 N/A LEU 51.A N GLY 141.A O no hydrogen 2.765 N/A THR 52.A N VAL 88.A O no hydrogen 2.917 N/A THR 52.A OG1 ILE 142.A O no hydrogen 2.586 N/A ARG 53.A NE GLN 90.A OE1 no hydrogen 2.869 N/A ARG 53.A NH1 HIS 118.A ND1 no hydrogen 3.185 N/A ARG 53.A NH2 GLN 90.A OE1 no hydrogen 3.056 N/A THR 54.A N GLN 90.A O no hydrogen 2.834 N/A THR 54.A OG1 GLU 147.A OE2 no hydrogen 2.536 N/A TYR 56.A N THR 54.A OG1 no hydrogen 2.949 N/A TYR 56.A OH TYR 190.A OH no hydrogen 2.602 N/A ALA 58.A N ASP 91.A OD1 no hydrogen 2.816 N/A ARG 61.A N ASP 57.A O no hydrogen 2.858 N/A ARG 61.A NE GLU 147.A OE2 no hydrogen 2.934 N/A ARG 61.A NH2 GLU 147.A OE1 no hydrogen 3.112 N/A THR 62.A N ALA 58.A O no hydrogen 3.184 N/A THR 62.A OG1 ALA 58.A O no hydrogen 2.945 N/A THR 62.A OG1 SER 59.A O no hydrogen 3.157 N/A GLU 63.A N GLY 60.A O no hydrogen 3.158 N/A ARG 64.A N LEU 72.A O no hydrogen 2.762 N/A ARG 64.A NE ASP 71.A O no hydrogen 2.927 N/A ARG 64.A NH2 LYS 70.A O no hydrogen 3.093 N/A HIS 69.A N SER 67.A OG no hydrogen 3.057 N/A LYS 70.A NZ ASP 71.A OD2 no hydrogen 2.708 N/A ASP 71.A N HIS 69.A O no hydrogen 3.077 N/A LEU 72.A N HIS 69.A O no hydrogen 2.919 N/A ASP 77.A N SER 74.A O no hydrogen 3.121 N/A ASP 78.A N ALA 75.A O no hydrogen 3.226 N/A PHE 80.A N ASP 77.A O no hydrogen 3.027 N/A VAL 81.A N ASP 77.A O no hydrogen 3.098 N/A GLU 82.A N ASP 78.A O no hydrogen 3.026 N/A GLY 83.A N VAL 79.A O no hydrogen 3.017 N/A GLY 84.A N VAL 81.A O no hydrogen 3.253 N/A TYR 85.A N PHE 80.A O no hydrogen 3.019 N/A TYR 85.A OH ASP 336.A OD1 no hydrogen 2.538 N/A ILE 86.A N PRO 48.A O no hydrogen 2.972 N/A ARG 87.A N VAL 39.A O no hydrogen 2.962 N/A ARG 87.A NE ASP 77.A OD1 no hydrogen 2.978 N/A ARG 87.A NH1 VAL 50.A O no hydrogen 3.203 N/A ARG 87.A NH1 THR 52.A OG1 no hydrogen 3.067 N/A ARG 87.A NH2 THR 52.A OG1 no hydrogen 3.023 N/A ARG 87.A NH2 ASP 77.A OD1 no hydrogen 3.277 N/A VAL 88.A N VAL 50.A O no hydrogen 2.915 N/A PHE 89.A N VAL 37.A O no hydrogen 3.056 N/A GLN 90.A N THR 52.A O no hydrogen 2.901 N/A GLN 90.A NE2 THR 36.A OG1 no hydrogen 3.005 N/A GLN 90.A NE2 THR 125.A OG1 no hydrogen 2.856 N/A ASP 91.A N HIS 35.A O no hydrogen 2.895 N/A VAL 92.A N THR 54.A O no hydrogen 3.000 N/A ARG 93.A NE ASP 121.A OD2 no hydrogen 2.929 N/A ARG 93.A NH1 ASP 30.A OD2 no hydrogen 2.910 N/A ARG 93.A NH2 ASP 30.A OD1 no hydrogen 3.172 N/A ARG 93.A NH2 ASP 121.A OD1 no hydrogen 2.934 N/A ARG 93.A NH2 ASP 121.A OD2 no hydrogen 3.521 N/A GLY 94.A N GLU 99.A O no hydrogen 3.095 N/A LYS 95.A N VAL 92.A O no hydrogen 3.110 N/A LYS 95.A NZ GLN 194.A O no hydrogen 2.825 N/A LYS 95.A NZ LYS 197.A O no hydrogen 3.154 N/A LYS 95.A NZ ARG 198.A O no hydrogen 2.966 N/A LYS 95.A NZ GLY 199.A O no hydrogen 3.243 N/A TYR 96.A N ARG 198.A O no hydrogen 2.893 N/A GLY 97.A N ASP 91.A OD2 no hydrogen 3.109 N/A SER 98.A N LYS 95.A O no hydrogen 3.033 N/A SER 98.A OG ASP 91.A O no hydrogen 2.654 N/A GLU 99.A N LYS 33.A O no hydrogen 3.016 N/A TYR 102.A OH TYR 146.A OH no hydrogen 2.726 N/A ARG 105.A NE VAL 116.A O no hydrogen 3.085 N/A ARG 105.A NH2 SER 114.A OG no hydrogen 3.056 N/A ARG 105.A NH2 VAL 116.A O no hydrogen 3.324 N/A ARG 108.A N ASP 117.A OD2 no hydrogen 2.918 N/A ARG 108.A NE SER 114.A O no hydrogen 3.259 N/A ARG 108.A NH2 GLU 115.A OE2 no hydrogen 3.398 N/A GLY 109.A N ASN 112.A O no hydrogen 3.045 N/A ASN 112.A N GLY 109.A O no hydrogen 3.083 N/A ASN 112.A ND2 PRO 106.A O no hydrogen 2.892 N/A ASN 112.A ND2 VAL 116.A O no hydrogen 3.025 N/A SER 114.A N ASN 112.A OD1 no hydrogen 3.005 N/A SER 114.A OG ASN 112.A OD1 no hydrogen 2.634 N/A VAL 116.A N SER 114.A OG no hydrogen 3.286 N/A ASP 117.A N THR 120.A OG1 no hydrogen 3.057 N/A THR 120.A N ASP 117.A OD1 no hydrogen 2.971 N/A THR 120.A OG1 ASP 117.A O no hydrogen 3.066 N/A ASP 121.A N ASP 117.A O no hydrogen 2.983 N/A ALA 122.A N HIS 118.A O no hydrogen 3.119 N/A TRP 123.A N ALA 119.A O no hydrogen 3.044 N/A ASP 124.A N THR 120.A O no hydrogen 2.940 N/A THR 125.A N ASP 121.A O no hydrogen 3.059 N/A THR 125.A OG1 GLN 90.A OE1 no hydrogen 3.171 N/A THR 125.A OG1 ASP 121.A O no hydrogen 2.720 N/A ILE 126.A N ALA 122.A O no hydrogen 3.030 N/A ASP 127.A N TRP 123.A O no hydrogen 3.042 N/A TRP 128.A N ASP 124.A O no hydrogen 3.128 N/A LEU 129.A N THR 125.A O no hydrogen 3.016 N/A VAL 130.A N ILE 126.A O no hydrogen 3.082 N/A LYS 131.A N ASP 127.A O no hydrogen 3.337 N/A LYS 131.A N TRP 128.A O no hydrogen 3.190 N/A LYS 131.A NZ ASP 127.A OD2 no hydrogen 2.785 N/A VAL 133.A N LEU 129.A O no hydrogen 3.050 N/A GLU 135.A N GLU 135.A OE1 no hydrogen 2.867 N/A SER 136.A N VAL 133.A O no hydrogen 3.132 N/A SER 136.A OG ALA 47.A O no hydrogen 3.004 N/A ASN 137.A N ALA 47.A O no hydrogen 3.154 N/A ASN 137.A ND2 LEU 339.A O no hydrogen 2.781 N/A ASN 137.A ND2 ASP 341.A OD1 no hydrogen 3.097 N/A GLY 138.A N SER 136.A OG no hydrogen 3.325 N/A LYS 139.A N ASN 137.A OD1 no hydrogen 3.071 N/A LYS 139.A NZ ASP 341.A OD1 no hydrogen 3.013 N/A VAL 140.A N ALA 160.A O no hydrogen 3.013 N/A GLY 141.A N ILE 49.A O no hydrogen 2.865 N/A SER 144.A OG SER 304.A OG no hydrogen 2.598 N/A SER 145.A N GLU 167.A O no hydrogen 2.884 N/A SER 145.A OG ASP 276.A OD2 no hydrogen 3.235 N/A SER 145.A OG HIS 303.A NE2 no hydrogen 2.873 N/A TYR 146.A OH TYR 102.A OH no hydrogen 2.726 N/A GLU 147.A N SER 144.A O no hydrogen 3.096 N/A GLY 148.A N SER 145.A O no hydrogen 2.999 N/A PHE 149.A N SER 145.A O no hydrogen 2.867 N/A THR 150.A N TYR 146.A O no hydrogen 3.133 N/A THR 150.A OG1 ARG 53.A O no hydrogen 2.755 N/A THR 150.A OG1 GLU 147.A O no hydrogen 2.953 N/A VAL 151.A N GLY 148.A O no hydrogen 3.078 N/A VAL 152.A N GLY 148.A O no hydrogen 3.192 N/A LEU 154.A N VAL 151.A O no hydrogen 3.090 N/A ASN 156.A N ALA 153.A O no hydrogen 3.271 N/A HIS 158.A NE2 ASP 127.A OD1 no hydrogen 2.780 N/A ALA 160.A N HIS 158.A ND1 no hydrogen 2.976 N/A LEU 161.A N HIS 158.A O no hydrogen 2.970 N/A LYS 162.A N VAL 140.A O no hydrogen 2.939 N/A LYS 162.A NZ PRO 159.A O no hydrogen 2.693 N/A ALA 164.A N PRO 265.A O no hydrogen 3.042 N/A GLU 167.A N GLY 143.A O no hydrogen 2.908 N/A SER 168.A N LEU 268.A O no hydrogen 2.622 N/A SER 168.A OG ASP 273.A OD2 no hydrogen 2.431 N/A ASP 171.A N ASP 175.A OD2 no hydrogen 2.955 N/A TRP 173.A N ASP 171.A OD1 no hydrogen 3.197 N/A TRP 173.A NE1 ALA 243.A O no hydrogen 2.964 N/A ASP 175.A N ASP 171.A O no hydrogen 3.063 N/A PHE 178.A N GLY 172.A O no hydrogen 2.765 N/A ASN 179.A N ALA 182.A O no hydrogen 3.061 N/A ASN 179.A ND2 ASP 175.A O no hydrogen 2.990 N/A ASN 179.A ND2 PHE 178.A O no hydrogen 2.738 N/A ALA 182.A N ASN 179.A O no hydrogen 2.977 N/A ARG 184.A N TRP 177.A O no hydrogen 3.054 N/A ARG 184.A NE ASP 176.A O no hydrogen 2.762 N/A ARG 184.A NH1 TYR 555.A OH no hydrogen 3.193 N/A ARG 184.A NH2 GLN 274.A O no hydrogen 2.803 N/A GLN 185.A N LEU 554.A O no hydrogen 2.777 N/A GLN 185.A NE2 PRO 553.A O no hydrogen 2.851 N/A ASN 187.A N ARG 184.A O no hydrogen 3.514 N/A ASN 187.A ND2 ASP 176.A O no hydrogen 2.720 N/A PHE 188.A N GLN 185.A O no hydrogen 3.261 N/A TYR 190.A OH TYR 56.A OH no hydrogen 2.602 N/A PHE 191.A N ASN 187.A O no hydrogen 3.168 N/A PHE 191.A N PHE 188.A O no hydrogen 3.231 N/A THR 192.A OG1 ASP 189.A O no hydrogen 3.233 N/A THR 192.A OG1 ALA 202.A O no hydrogen 2.632 N/A GLY 193.A N ASP 189.A O no hydrogen 2.949 N/A GLN 194.A N TYR 190.A O no hydrogen 2.905 N/A GLN 194.A NE2 PRO 55.A O no hydrogen 2.987 N/A LEU 195.A N PHE 191.A O no hydrogen 2.903 N/A SER 196.A OG THR 192.A O no hydrogen 2.443 N/A ARG 198.A NH1 SER 98.A O no hydrogen 2.885 N/A ARG 198.A NH1 GLY 100.A O no hydrogen 2.853 N/A ARG 198.A NH2 GLY 100.A O no hydrogen 3.267 N/A ALA 202.A N THR 192.A O no hydrogen 3.472 N/A ILE 204.A N ASP 189.A OD1 no hydrogen 3.036 N/A ARG 206.A NE ASP 211.A OD1 no hydrogen 2.832 N/A ARG 206.A NH1 ASP 189.A OD1 no hydrogen 2.959 N/A ARG 206.A NH1 ASP 189.A OD2 no hydrogen 3.382 N/A ARG 206.A NH1 ILE 204.A O no hydrogen 3.088 N/A ARG 206.A NH2 ASP 189.A OD2 no hydrogen 3.110 N/A ARG 206.A NH2 ASP 211.A OD2 no hydrogen 3.084 N/A ASP 211.A N VAL 420.A O no hydrogen 2.775 N/A TYR 212.A N ASP 210.A OD1 no hydrogen 2.969 N/A TYR 212.A OH PRO 412.A O no hydrogen 2.598 N/A ASN 214.A N ASP 210.A O no hydrogen 2.859 N/A ASN 214.A ND2 GLY 208.A O no hydrogen 2.965 N/A ASN 214.A ND2 ASP 211.A OD1 no hydrogen 2.803 N/A PHE 215.A N ASP 211.A O no hydrogen 2.983 N/A LEU 216.A N TYR 212.A O no hydrogen 3.222 N/A GLN 217.A N SER 213.A O no hydrogen 2.884 N/A ALA 218.A N ASN 214.A O no hydrogen 3.269 N/A GLY 219.A N PHE 215.A O no hydrogen 3.128 N/A SER 220.A N ASP 223.A OD2 no hydrogen 3.233 N/A SER 220.A OG PHE 567.A O no hydrogen 2.944 N/A GLY 222.A N PHE 567.A O no hydrogen 2.862 N/A ASP 223.A N SER 220.A OG no hydrogen 3.057 N/A PHE 224.A N SER 220.A O no hydrogen 3.164 N/A ALA 225.A N ALA 221.A O no hydrogen 3.006 N/A LYS 226.A N GLY 222.A O no hydrogen 2.924 N/A ALA 227.A N ASP 223.A O no hydrogen 3.016 N/A ALA 228.A N PHE 224.A O no hydrogen 2.998 N/A ALA 228.A N ALA 225.A O no hydrogen 3.194 N/A GLY 229.A N LYS 226.A O no hydrogen 3.188 N/A LEU 230.A N ALA 225.A O no hydrogen 2.964 N/A GLN 232.A N GLY 229.A O no hydrogen 3.338 N/A GLN 232.A NE2 GLY 229.A O no hydrogen 2.732 N/A LEU 233.A N LEU 230.A O no hydrogen 3.013 N/A TRP 236.A N LEU 233.A O no hydrogen 3.101 N/A HIS 237.A NE2 GLU 231.A O no hydrogen 2.738 N/A LYS 238.A N PRO 234.A O no hydrogen 3.027 N/A LEU 239.A N TRP 235.A O no hydrogen 3.096 N/A THR 240.A N TRP 236.A O no hydrogen 3.204 N/A THR 240.A OG1 TRP 236.A O no hydrogen 3.469 N/A THR 240.A OG1 HIS 237.A O no hydrogen 3.462 N/A GLU 241.A N HIS 237.A O no hydrogen 3.028 N/A HIS 242.A N LEU 239.A O no hydrogen 3.338 N/A HIS 242.A ND1 ASP 246.A OD2 no hydrogen 2.546 N/A TYR 245.A N PHE 513.A O no hydrogen 3.015 N/A TYR 245.A OH ASP 171.A OD2 no hydrogen 2.648 N/A ASP 246.A N ALA 244.A O no hydrogen 2.822 N/A PHE 248.A N ASP 246.A OD1 no hydrogen 3.167 N/A TRP 249.A N ASP 246.A O no hydrogen 3.139 N/A TRP 249.A NE1 HIS 242.A O no hydrogen 2.790 N/A GLN 250.A N ASP 246.A O no hydrogen 2.991 N/A GLN 250.A NE2 TYR 245.A O no hydrogen 2.814 N/A GLU 251.A N ALA 247.A O no hydrogen 3.046 N/A GLN 252.A N TRP 249.A O no hydrogen 3.186 N/A GLN 252.A NE2 PHE 248.A O no hydrogen 2.823 N/A LEU 254.A N ILE 170.A O no hydrogen 3.022 N/A ARG 259.A N VAL 257.A O no hydrogen 3.134 N/A THR 260.A OG1 VAL 257.A O no hydrogen 2.631 N/A THR 266.A N LEU 294.A O no hydrogen 2.868 N/A THR 266.A OG1 VAL 264.A O no hydrogen 2.688 N/A TRP 267.A NE1 ASN 295.A OD1 no hydrogen 3.041 N/A LEU 268.A N PRO 166.A O no hydrogen 3.144 N/A GLN 269.A N VAL 298.A O no hydrogen 3.074 N/A GLN 269.A NE2 GLY 270.A O no hydrogen 3.263 N/A GLY 270.A N ASP 273.A OD2 no hydrogen 3.245 N/A LEU 271.A N GLY 299.A O no hydrogen 2.876 N/A TRP 272.A N TRP 301.A O no hydrogen 3.090 N/A TRP 272.A NE1 PRO 499.A O no hydrogen 3.170 N/A GLN 274.A N GLN 274.A OE1 no hydrogen 2.932 N/A ASP 276.A N ASP 273.A OD1 no hydrogen 3.092 N/A TRP 277.A NE1 ASP 255.A OD2 no hydrogen 3.177 N/A GLY 278.A N ASP 175.A OD1 no hydrogen 2.966 N/A ILE 280.A N GLN 269.A OE1 no hydrogen 3.022 N/A HIS 281.A N TRP 277.A O no hydrogen 3.235 N/A HIS 281.A ND1 TRP 277.A O no hydrogen 2.809 N/A SER 282.A N GLY 278.A O no hydrogen 2.986 N/A SER 282.A OG GLY 278.A O no hydrogen 2.827 N/A TYR 283.A N ALA 279.A O no hydrogen 2.879 N/A ALA 284.A N ILE 280.A O no hydrogen 3.124 N/A ALA 285.A N HIS 281.A O no hydrogen 3.073 N/A ARG 288.A NH1 THR 260.A O no hydrogen 2.986 N/A ARG 288.A NH2 THR 260.A O no hydrogen 3.486 N/A ARG 288.A NH2 ALA 285.A O no hydrogen 3.293 N/A ASP 289.A N GLU 286.A O no hydrogen 2.962 N/A ASN 292.A N ASP 289.A O no hydrogen 3.117 N/A ASN 292.A ND2 LYS 365.A O no hydrogen 3.087 N/A LEU 294.A N ASP 289.A OD1 no hydrogen 3.040 N/A ASN 295.A N ASP 289.A OD2 no hydrogen 3.056 N/A ASN 295.A ND2 TYR 283.A O no hydrogen 3.039 N/A ASN 295.A ND2 GLU 286.A OE1 no hydrogen 2.961 N/A TYR 296.A N THR 266.A O no hydrogen 2.787 N/A LEU 297.A N PRO 350.A O no hydrogen 3.163 N/A VAL 298.A N TRP 267.A O no hydrogen 2.837 N/A TRP 301.A NE1 THR 322.A OG1 no hydrogen 2.932 N/A ARG 302.A N GLN 305.A OE1 no hydrogen 3.019 N/A ARG 302.A NH1 HIS 303.A O no hydrogen 2.915 N/A HIS 303.A N GLN 274.A OE1 no hydrogen 3.001 N/A HIS 303.A ND1 ASP 273.A OD1 no hydrogen 2.743 N/A HIS 303.A NE2 SER 145.A OG no hydrogen 2.873 N/A SER 304.A OG SER 144.A OG no hydrogen 2.598 N/A GLN 305.A N ARG 302.A O no hydrogen 3.127 N/A GLN 305.A NE2 ASP 309.A O no hydrogen 2.872 N/A GLN 305.A NE2 ALA 312.A O no hydrogen 2.809 N/A ASN 307.A N SER 304.A O no hydrogen 3.148 N/A ASN 307.A ND2 GLU 167.A OE1 no hydrogen 3.356 N/A TYR 308.A N GLN 305.A O no hydrogen 2.910 N/A GLY 310.A N ASP 321.A OD1 no hydrogen 2.909 N/A SER 311.A N ASP 309.A OD1 no hydrogen 3.021 N/A SER 311.A OG ASP 309.A OD1 no hydrogen 2.725 N/A LEU 313.A N LEU 316.A O no hydrogen 2.948 N/A LEU 316.A N LEU 313.A O no hydrogen 2.979 N/A PHE 318.A N SER 311.A O no hydrogen 2.892 N/A GLU 319.A N TYR 354.A OH no hydrogen 3.196 N/A GLY 320.A N PHE 318.A O no hydrogen 3.088 N/A THR 322.A N GLY 310.A O no hydrogen 3.296 N/A THR 322.A OG1 GLY 310.A O no hydrogen 2.709 N/A ARG 324.A N ASP 321.A OD1 no hydrogen 3.048 N/A ARG 324.A NH1 GLU 82.A OE1 no hydrogen 3.517 N/A ARG 324.A NH1 GLU 82.A OE2 no hydrogen 3.389 N/A ARG 324.A NH2 GLU 82.A OE1 no hydrogen 3.369 N/A ARG 324.A NH2 GLU 82.A OE2 no hydrogen 3.513 N/A GLN 325.A N ASP 321.A O no hydrogen 2.935 N/A GLN 325.A NE2 GLU 319.A O no hydrogen 2.954 N/A PHE 326.A N THR 322.A O no hydrogen 3.097 N/A ARG 327.A N ALA 323.A O no hydrogen 2.992 N/A ARG 327.A NE ASP 78.A OD1 no hydrogen 2.921 N/A ARG 327.A NH1 VAL 306.A O no hydrogen 2.849 N/A ARG 327.A NH1 TYR 308.A O no hydrogen 3.177 N/A ARG 327.A NH2 ASP 78.A OD2 no hydrogen 2.915 N/A HIS 328.A N ARG 324.A O no hydrogen 2.900 N/A HIS 328.A ND1 ASP 329.A OD1 no hydrogen 2.869 N/A ASP 329.A N GLN 325.A O no hydrogen 2.889 N/A VAL 330.A N PHE 326.A O no hydrogen 3.063 N/A LEU 331.A N PHE 326.A O no hydrogen 2.927 N/A ARG 332.A N ARG 327.A O no hydrogen 3.007 N/A ARG 332.A NE ASP 336.A OD1 no hydrogen 3.069 N/A PHE 334.A N VAL 330.A O no hydrogen 3.205 N/A PHE 335.A N LEU 331.A O no hydrogen 2.990 N/A ASP 336.A N ARG 332.A O no hydrogen 2.933 N/A GLN 337.A N PRO 333.A O no hydrogen 3.006 N/A TYR 338.A N PHE 335.A O no hydrogen 3.192 N/A LEU 339.A N ASP 336.A O no hydrogen 3.320 N/A VAL 340.A N ASP 336.A O no hydrogen 2.944 N/A ALA 343.A N VAL 340.A O no hydrogen 3.106 N/A LYS 345.A NZ ALA 346.A O no hydrogen 3.130 N/A ALA 346.A N GLN 337.A OE1 no hydrogen 2.801 N/A VAL 351.A N LEU 364.A O no hydrogen 2.926 N/A PHE 352.A N LEU 297.A O no hydrogen 2.907 N/A ILE 353.A N ASP 362.A O no hydrogen 3.118 N/A TYR 354.A OH ASN 359.A OD1 no hydrogen 2.589 N/A ASN 355.A N HIS 360.A O no hydrogen 2.932 N/A ASN 355.A ND2 THR 537.A OG1 no hydrogen 3.139 N/A THR 356.A N ASN 535.A O no hydrogen 3.089 N/A THR 356.A OG1 ASN 535.A O no hydrogen 3.437 N/A THR 356.A OG1 HIS 536.A ND1 no hydrogen 2.732 N/A GLY 357.A N ASN 355.A OD1 no hydrogen 2.925 N/A GLU 358.A N ASN 355.A OD1 no hydrogen 3.084 N/A HIS 360.A ND1 TRP 361.A O no hydrogen 3.149 N/A HIS 360.A NE2 GLU 358.A OE1 no hydrogen 2.676 N/A TRP 361.A NE1 GLN 325.A OE1 no hydrogen 3.060 N/A ASP 362.A N ILE 353.A O no hydrogen 2.764 N/A LEU 364.A N VAL 351.A O no hydrogen 2.980 N/A ARG 369.A N ALA 459.A O no hydrogen 3.230 N/A SER 370.A N ALA 459.A O no hydrogen 3.199 N/A SER 370.A OG VAL 595.A O no hydrogen 2.754 N/A CYS 371.A N ALA 377.A O no hydrogen 3.388 N/A CYS 371.A SG LYS 373.A O no hydrogen 3.328 N/A CYS 375.A SG PRO 368.A O no hydrogen 3.864 N/A ALA 377.A N ARG 369.A O no hydrogen 3.060 N/A SER 379.A N CYS 371.A O no hydrogen 3.127 N/A SER 379.A OG ASP 372.A OD1 no hydrogen 3.509 N/A LYS 380.A N LEU 593.A O no hydrogen 2.867 N/A LEU 382.A N ILE 591.A O no hydrogen 2.888 N/A TYR 383.A N SER 391.A O no hydrogen 2.790 N/A LEU 384.A N SER 589.A O no hydrogen 3.028 N/A GLN 385.A N LYS 389.A O no hydrogen 2.957 N/A GLN 385.A NE2 SER 391.A OG no hydrogen 2.935 N/A GLN 385.A NE2 GLN 393.A O no hydrogen 2.751 N/A GLY 387.A N GLU 403.A OE2 no hydrogen 3.039 N/A GLY 388.A N GLU 403.A OE2 no hydrogen 3.239 N/A LYS 389.A N GLN 385.A O no hydrogen 3.276 N/A SER 391.A N TYR 383.A O no hydrogen 3.173 N/A SER 391.A OG GLN 393.A O no hydrogen 3.346 N/A GLN 393.A N SER 391.A OG no hydrogen 3.309 N/A GLU 403.A N VAL 581.A O no hydrogen 2.993 N/A TYR 405.A N GLN 579.A O no hydrogen 2.995 N/A TYR 405.A OH SER 549.A OG no hydrogen 2.844 N/A SER 407.A N ALA 577.A O no hydrogen 2.922 N/A SER 407.A OG GLN 560.A OE1 no hydrogen 2.597 N/A ALA 410.A N ASP 408.A OD1 no hydrogen 3.073 N/A LYS 411.A N ASP 408.A O no hydrogen 2.992 N/A VAL 413.A N SER 550.A OG no hydrogen 2.976 N/A PHE 415.A N PHE 552.A O no hydrogen 2.959 N/A ARG 418.A NE ASP 210.A OD2 no hydrogen 2.899 N/A ARG 418.A NH2 ASP 210.A OD2 no hydrogen 3.101 N/A VAL 420.A N ASP 210.A OD1 no hydrogen 2.872 N/A ALA 423.A N ASP 421.A OD1 no hydrogen 3.151 N/A ASP 424.A N ASP 421.A O no hydrogen 3.032 N/A ARG 425.A NH2 PHE 422.A O no hydrogen 3.557 N/A TRP 427.A NE1 GLU 275.A OE2 no hydrogen 3.009 N/A THR 428.A N ARG 425.A O no hydrogen 3.000 N/A THR 428.A OG1 ARG 425.A O no hydrogen 2.873 N/A THR 428.A OG1 ALA 426.A O no hydrogen 3.447 N/A THR 429.A OG1 ALA 426.A O no hydrogen 2.620 N/A VAL 432.A N THR 429.A O no hydrogen 3.243 N/A HIS 433.A N TRP 430.A O no hydrogen 3.302 N/A HIS 433.A ND1 ASP 434.A O no hydrogen 2.826 N/A GLN 435.A N GLU 497.A O no hydrogen 3.036 N/A GLN 435.A NE2 HIS 433.A O no hydrogen 2.734 N/A ARG 436.A N ASP 434.A OD1 no hydrogen 3.166 N/A ARG 436.A NE ASP 434.A OD1 no hydrogen 3.332 N/A ARG 436.A NE ASP 434.A OD2 no hydrogen 2.876 N/A ARG 436.A NH1 GLY 494.A O no hydrogen 2.860 N/A ARG 436.A NH2 ASP 434.A OD2 no hydrogen 2.942 N/A ARG 436.A NH2 GLY 494.A O no hydrogen 3.129 N/A VAL 438.A N GLN 435.A O no hydrogen 3.153 N/A ASP 439.A N GLN 435.A O no hydrogen 3.086 N/A ARG 441.A N VAL 438.A O no hydrogen 3.146 N/A ARG 441.A NE ASP 443.A OD1 no hydrogen 2.953 N/A ARG 441.A NH2 ASP 443.A OD1 no hydrogen 3.541 N/A ARG 441.A NH2 ASP 443.A OD2 no hydrogen 2.850 N/A VAL 444.A N ARG 441.A O no hydrogen 3.283 N/A LEU 445.A N VAL 547.A O no hydrogen 2.864 N/A THR 446.A OG1 ASP 439.A OD1 no hydrogen 2.688 N/A PHE 447.A N VAL 545.A O no hydrogen 2.850 N/A VAL 448.A N GLY 388.A O no hydrogen 3.044 N/A THR 449.A N VAL 544.A O no hydrogen 3.015 N/A THR 449.A OG1 GLU 450.A O no hydrogen 2.875 N/A LEU 452.A N HIS 542.A O no hydrogen 2.885 N/A LEU 456.A N PHE 538.A O no hydrogen 2.967 N/A ILE 458.A N HIS 536.A O no hydrogen 2.974 N/A ALA 459.A N PRO 594.A O no hydrogen 2.882 N/A GLY 460.A N ALA 534.A O no hydrogen 2.943 N/A ASP 463.A N SER 592.A O no hydrogen 3.131 N/A VAL 464.A N PHE 529.A O no hydrogen 2.814 N/A HIS 465.A N TYR 590.A O no hydrogen 2.831 N/A LEU 466.A N PHE 527.A O no hydrogen 2.890 N/A GLN 467.A N SER 589.A OG no hydrogen 2.932 N/A ALA 468.A N LEU 525.A O no hydrogen 3.031 N/A SER 469.A N ARG 580.A O no hydrogen 2.973 N/A THR 470.A OG1 SER 475.A OG no hydrogen 3.268 N/A SER 471.A N THR 578.A O no hydrogen 3.060 N/A GLY 472.A N THR 470.A OG1 no hydrogen 3.151 N/A SER 473.A N GLN 560.A O no hydrogen 3.074 N/A SER 475.A N ASP 474.A OD1 no hydrogen 2.809 N/A SER 475.A OG THR 470.A OG1 no hydrogen 3.268 N/A SER 475.A OG ASP 474.A O no hydrogen 2.529 N/A SER 475.A OG GLN 579.A OE1 no hydrogen 2.879 N/A TRP 477.A N PHE 505.A O no hydrogen 2.930 N/A VAL 478.A N GLN 548.A O no hydrogen 2.865 N/A VAL 479.A N ALA 503.A O no hydrogen 2.981 N/A LYS 480.A N GLN 546.A O no hydrogen 2.964 N/A LYS 480.A NZ GLN 435.A OE1 no hydrogen 2.873 N/A LYS 480.A NZ GLN 546.A OE1 no hydrogen 2.847 N/A LYS 480.A NZ GLN 548.A OE1 no hydrogen 2.907 N/A LEU 481.A N SER 501.A O no hydrogen 2.708 N/A ASP 483.A N LEU 498.A O no hydrogen 2.810 N/A VAL 484.A N ARG 543.A O no hydrogen 2.893 N/A TYR 485.A N TYR 496.A O no hydrogen 2.932 N/A LYS 493.A NZ ASN 491.A OD1 no hydrogen 3.369 N/A GLY 495.A N PRO 486.A O no hydrogen 2.976 N/A TYR 496.A OH VAL 432.A O no hydrogen 2.568 N/A GLU 497.A N ASP 434.A OD1 no hydrogen 2.922 N/A LEU 498.A N ASP 483.A O no hydrogen 3.039 N/A VAL 500.A N LEU 481.A O no hydrogen 2.902 N/A SER 501.A N LEU 481.A O no hydrogen 3.315 N/A SER 501.A OG PRO 532.A O no hydrogen 2.585 N/A ALA 503.A N VAL 479.A O no hydrogen 3.056 N/A PHE 505.A N TRP 477.A O no hydrogen 2.880 N/A ARG 506.A N TYR 180.A O no hydrogen 3.239 N/A ARG 506.A NE ASP 476.A OD1 no hydrogen 2.973 N/A ARG 506.A NH1 ASP 556.A OD1 no hydrogen 3.024 N/A ARG 506.A NH2 ASP 476.A OD2 no hydrogen 2.863 N/A ARG 506.A NH2 ASP 556.A O no hydrogen 2.932 N/A ARG 506.A NH2 ASP 556.A OD1 no hydrogen 3.048 N/A GLY 507.A N SER 475.A O no hydrogen 2.736 N/A ARG 508.A NH1 ASP 474.A OD2 no hydrogen 2.865 N/A ARG 508.A NH1 VAL 563.A O no hydrogen 3.198 N/A ARG 508.A NH2 VAL 563.A O no hydrogen 3.021 N/A TYR 509.A N ARG 506.A O no hydrogen 3.070 N/A ARG 510.A N GLY 507.A O no hydrogen 3.052 N/A ARG 510.A NH1 ALA 526.A O no hydrogen 3.038 N/A SER 514.A OG SER 512.A OG no hydrogen 3.147 N/A THR 515.A N SER 512.A OG no hydrogen 2.863 N/A LYS 517.A N ARG 508.A O no hydrogen 2.939 N/A LYS 517.A NZ GLU 511.A OE1 no hydrogen 3.160 N/A LEU 519.A N SER 473.A O no hydrogen 2.933 N/A SER 521.A OG SER 471.A O no hydrogen 3.355 N/A SER 521.A OG GLY 472.A O no hydrogen 2.640 N/A ASN 522.A N THR 470.A O no hydrogen 2.831 N/A GLN 523.A N THR 520.A O no hydrogen 3.278 N/A GLN 523.A NE2 PRO 524.A O no hydrogen 3.679 N/A LEU 525.A N ALA 468.A O no hydrogen 3.002 N/A PHE 527.A N LEU 466.A O no hydrogen 2.758 N/A GLN 528.A NE2 ASP 463.A OD2 no hydrogen 2.954 N/A PHE 529.A N VAL 464.A O no hydrogen 3.244 N/A GLY 530.A N TYR 180.A OH no hydrogen 3.085 N/A LEU 531.A N PRO 462.A O no hydrogen 2.876 N/A ALA 534.A N GLY 460.A O no hydrogen 2.894 N/A ASN 535.A ND2 ILE 353.A O no hydrogen 3.624 N/A ASN 535.A ND2 ASP 362.A OD2 no hydrogen 2.930 N/A HIS 536.A N ILE 458.A O no hydrogen 3.002 N/A HIS 536.A ND1 THR 356.A OG1 no hydrogen 2.732 N/A HIS 536.A NE2 ASP 483.A OD2 no hydrogen 2.793 N/A THR 537.A N ASN 355.A OD1 no hydrogen 3.246 N/A THR 537.A OG1 GLU 358.A OE2 no hydrogen 2.703 N/A PHE 538.A N LEU 456.A O no hydrogen 2.818 N/A GLN 539.A NE2 GLY 357.A O no hydrogen 3.462 N/A GLY 541.A N LEU 452.A O no hydrogen 2.895 N/A HIS 542.A N GLN 539.A O no hydrogen 3.084 N/A HIS 542.A ND1 ASP 483.A OD1 no hydrogen 2.634 N/A ARG 543.A N VAL 484.A O no hydrogen 2.913 N/A ARG 543.A NH1 THR 449.A O no hydrogen 3.099 N/A VAL 544.A N THR 449.A OG1 no hydrogen 3.069 N/A GLN 546.A N LYS 480.A O no hydrogen 3.067 N/A VAL 547.A N LEU 445.A O no hydrogen 2.996 N/A GLN 548.A N VAL 478.A O no hydrogen 3.079 N/A GLN 548.A NE2 SER 550.A O no hydrogen 2.760 N/A SER 549.A OG TYR 405.A OH no hydrogen 2.844 N/A SER 549.A OG ASP 476.A O no hydrogen 3.010 N/A SER 549.A OG GLN 579.A OE1 no hydrogen 3.126 N/A PHE 552.A N VAL 413.A O no hydrogen 3.049 N/A TYR 555.A N LEU 551.A O no hydrogen 2.939 N/A ASP 556.A N PHE 183.A O no hydrogen 3.209 N/A ARG 557.A NH1 PRO 409.A O no hydrogen 2.982 N/A ARG 557.A NH2 GLY 219.A O no hydrogen 2.899 N/A ASN 558.A ND2 ASP 474.A OD1 no hydrogen 3.075 N/A ASN 558.A ND2 ASP 476.A OD1 no hydrogen 2.923 N/A GLN 560.A N ASN 558.A OD1 no hydrogen 2.985 N/A GLN 560.A NE2 SER 407.A O no hydrogen 2.972 N/A GLN 560.A NE2 GLN 575.A O no hydrogen 2.859 N/A THR 561.A OG1 ASP 573.A O no hydrogen 2.672 N/A TYR 562.A N SER 473.A OG no hydrogen 2.892 N/A ASN 565.A ND2 THR 240.A O no hydrogen 2.838 N/A PHE 567.A N ASN 565.A OD1 no hydrogen 3.212 N/A PHE 568.A N ASN 565.A O no hydrogen 3.015 N/A ALA 569.A N ILE 566.A O no hydrogen 3.266 N/A LYS 570.A N ASP 573.A OD2 no hydrogen 2.894 N/A LYS 570.A NZ PHE 568.A O no hydrogen 2.971 N/A ASP 573.A N LYS 570.A O no hydrogen 2.988 N/A GLN 575.A N PRO 559.A O no hydrogen 3.039 N/A GLN 575.A NE2 GLY 572.A O no hydrogen 2.891 N/A ALA 577.A N SER 407.A O no hydrogen 3.075 N/A THR 578.A N SER 471.A OG no hydrogen 2.863 N/A GLN 579.A N TYR 405.A O no hydrogen 2.742 N/A GLN 579.A NE2 THR 470.A OG1 no hydrogen 2.611 N/A ARG 580.A N SER 469.A O no hydrogen 2.937 N/A ARG 580.A NE GLU 404.A OE1 no hydrogen 2.893 N/A ARG 580.A NH2 GLU 404.A OE1 no hydrogen 3.248 N/A VAL 581.A N GLU 403.A O no hydrogen 2.906 N/A TYR 582.A N GLN 467.A O no hydrogen 2.808 N/A VAL 583.A N GLY 401.A O no hydrogen 2.973 N/A GLN 587.A N SER 584.A OG no hydrogen 3.110 N/A SER 589.A N TYR 582.A O no hydrogen 3.114 N/A SER 589.A OG TYR 582.A O no hydrogen 2.690 N/A TYR 590.A N HIS 465.A O no hydrogen 3.015 N/A ILE 591.A N LEU 382.A O no hydrogen 3.039 N/A SER 592.A N ASP 463.A O no hydrogen 2.768 N/A SER 592.A OG ASP 372.A OD1 no hydrogen 2.764 N/A LEU 593.A N LYS 380.A O no hydrogen 2.966 N/A VAL 595.A N LEU 593.A O no hydrogen 2.891 N/A ARG 596.A N GLN 457.A O no hydrogen 3.072 N/A ARG 596.A NH1 GLN 457.A OE1 no hydrogen 3.360 N/A