Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1gni_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG CYS 60.A O no hydrogen 2.545 N/A HIS 7.A N SER 3.A O no hydrogen 3.054 N/A ARG 8.A N GLU 4.A O no hydrogen 2.897 N/A PHE 9.A N VAL 5.A O no hydrogen 2.840 N/A LYS 10.A N ALA 6.A O no hydrogen 2.849 N/A ASP 11.A N HIS 7.A O no hydrogen 2.909 N/A LEU 12.A N ARG 8.A O no hydrogen 2.845 N/A GLY 13.A N PHE 9.A O no hydrogen 2.992 N/A ASN 16.A ND2 LEU 12.A O no hydrogen 3.039 N/A PHE 17.A N GLY 13.A O no hydrogen 3.063 N/A LYS 18.A N GLU 14.A O no hydrogen 3.054 N/A ALA 19.A N GLU 15.A O no hydrogen 3.277 N/A LEU 20.A N ASN 16.A O no hydrogen 2.896 N/A VAL 21.A N PHE 17.A O no hydrogen 2.883 N/A LEU 22.A N LYS 18.A O no hydrogen 3.161 N/A ILE 23.A N ALA 19.A O no hydrogen 3.199 N/A ALA 24.A N LEU 20.A O no hydrogen 2.948 N/A PHE 25.A N VAL 21.A O no hydrogen 3.129 N/A ALA 26.A N LEU 22.A O no hydrogen 2.887 N/A GLN 27.A N ILE 23.A O no hydrogen 3.025 N/A GLN 27.A NE2 HIS 144.A O no hydrogen 3.064 N/A GLN 27.A NE2 PHE 147.A O no hydrogen 2.999 N/A TYR 28.A N PHE 25.A O no hydrogen 3.023 N/A LEU 29.A N PHE 25.A O no hydrogen 2.820 N/A GLN 30.A NE2 ASP 105.A O no hydrogen 3.256 N/A GLN 31.A N TYR 82.A OH no hydrogen 3.122 N/A CYS 32.A N LEU 29.A O no hydrogen 3.287 N/A CYS 32.A SG TYR 82.A OH no hydrogen 3.204 N/A HIS 37.A N PRO 33.A O no hydrogen 3.247 N/A HIS 37.A NE2 LEU 29.A O no hydrogen 2.961 N/A VAL 38.A N PHE 34.A O no hydrogen 3.031 N/A LYS 39.A N GLU 35.A O no hydrogen 3.204 N/A LEU 40.A N ASP 36.A O no hydrogen 3.122 N/A VAL 41.A N HIS 37.A O no hydrogen 2.751 N/A ASN 42.A N VAL 38.A O no hydrogen 3.050 N/A GLU 43.A N LYS 39.A O no hydrogen 2.979 N/A VAL 44.A N LEU 40.A O no hydrogen 2.848 N/A THR 45.A N VAL 41.A O no hydrogen 2.714 N/A THR 45.A OG1 VAL 41.A O no hydrogen 2.979 N/A GLU 46.A N ASN 42.A O no hydrogen 2.826 N/A PHE 47.A N GLU 43.A O no hydrogen 3.019 N/A ALA 48.A N VAL 44.A O no hydrogen 2.821 N/A LYS 49.A N THR 45.A O no hydrogen 3.029 N/A LYS 49.A N GLU 46.A O no hydrogen 3.177 N/A THR 50.A N GLU 46.A O no hydrogen 3.155 N/A CYS 51.A N PHE 47.A O no hydrogen 3.175 N/A CYS 51.A SG PHE 47.A O no hydrogen 3.537 N/A VAL 52.A N ALA 48.A O no hydrogen 3.084 N/A ALA 53.A N LYS 49.A O no hydrogen 3.122 N/A ASP 54.A N THR 50.A O no hydrogen 3.039 N/A SER 56.A N ASP 54.A OD1 no hydrogen 2.774 N/A ALA 57.A N ASP 54.A O no hydrogen 2.839 N/A CYS 60.A N ALA 57.A O no hydrogen 3.270 N/A CYS 60.A SG ASP 54.A O no hydrogen 3.966 N/A CYS 60.A SG GLU 58.A O no hydrogen 3.654 N/A LYS 62.A N ASN 59.A O no hydrogen 2.921 N/A SER 63.A OG THR 66.A OG1 no hydrogen 3.057 N/A LEU 64.A N GLU 4.A OE1 no hydrogen 3.085 N/A THR 66.A N SER 63.A OG no hydrogen 3.271 N/A THR 66.A OG1 SER 63.A OG no hydrogen 3.057 N/A LEU 67.A N SER 63.A O no hydrogen 2.877 N/A PHE 68.A N LEU 64.A O no hydrogen 2.746 N/A GLY 69.A N HIS 65.A O no hydrogen 2.607 N/A ASP 70.A N THR 66.A O no hydrogen 2.731 N/A LYS 71.A N LEU 67.A O no hydrogen 2.965 N/A LYS 71.A NZ GLU 43.A OE2 no hydrogen 3.145 N/A LEU 72.A N PHE 68.A O no hydrogen 3.144 N/A CYS 73.A N GLY 69.A O no hydrogen 3.158 N/A CYS 73.A SG GLY 69.A O no hydrogen 3.649 N/A THR 74.A N LYS 71.A O no hydrogen 3.087 N/A VAL 75.A N LEU 72.A O no hydrogen 3.133 N/A ARG 79.A NH2 ASP 87.A OD1 no hydrogen 2.798 N/A THR 81.A N THR 77.A O no hydrogen 3.251 N/A TYR 82.A N LEU 78.A O no hydrogen 2.503 N/A GLY 83.A N LEU 78.A O no hydrogen 3.306 N/A ALA 86.A N GLY 83.A O no hydrogen 2.949 N/A ASP 87.A N GLU 84.A O no hydrogen 2.742 N/A CYS 88.A N MET 85.A O no hydrogen 2.912 N/A CYS 89.A N ALA 86.A O no hydrogen 3.225 N/A ALA 90.A N ASP 87.A O no hydrogen 3.429 N/A LYS 91.A N CYS 88.A O no hydrogen 3.155 N/A ARG 96.A N GLN 92.A O no hydrogen 2.778 N/A ARG 96.A NE GLU 93.A OE1 no hydrogen 3.098 N/A ARG 96.A NH1 ASP 70.A OD1 no hydrogen 2.948 N/A ARG 96.A NH2 ASP 70.A OD1 no hydrogen 3.125 N/A ARG 96.A NH2 GLU 93.A OE1 no hydrogen 2.971 N/A ASN 97.A N GLU 93.A O no hydrogen 3.192 N/A GLU 98.A N PRO 94.A O no hydrogen 3.280 N/A CYS 99.A N GLU 95.A O no hydrogen 2.783 N/A PHE 100.A N ARG 96.A O no hydrogen 3.054 N/A PHE 100.A N ASN 97.A O no hydrogen 3.112 N/A LEU 101.A N ASN 97.A O no hydrogen 3.082 N/A GLN 102.A N GLU 98.A O no hydrogen 3.168 N/A HIS 103.A N PHE 100.A O no hydrogen 3.090 N/A LYS 104.A N LEU 101.A O no hydrogen 3.159 N/A LYS 104.A NZ PRO 145.A O no hydrogen 3.563 N/A ARG 115.A NH1 ASP 181.A OD1 no hydrogen 3.206 N/A ARG 115.A NH2 ASP 181.A OD1 no hydrogen 2.980 N/A MET 121.A N GLU 117.A O no hydrogen 2.891 N/A CYS 122.A N VAL 118.A O no hydrogen 2.758 N/A THR 123.A N ASP 119.A O no hydrogen 2.865 N/A THR 123.A OG1 ASP 119.A O no hydrogen 2.881 N/A ALA 124.A N VAL 120.A O no hydrogen 2.801 N/A PHE 125.A N MET 121.A O no hydrogen 2.871 N/A HIS 126.A N CYS 122.A O no hydrogen 3.025 N/A ASP 127.A N THR 123.A O no hydrogen 3.208 N/A THR 131.A OG1 ASN 128.A O no hydrogen 3.554 N/A PHE 132.A N ASN 128.A O no hydrogen 3.094 N/A LEU 133.A N GLU 129.A O no hydrogen 3.082 N/A LYS 134.A N GLU 130.A O no hydrogen 2.895 N/A LYS 134.A NZ GLU 130.A OE2 no hydrogen 3.169 N/A LYS 135.A N THR 131.A O no hydrogen 3.201 N/A LYS 135.A NZ GLU 139.A OE2 no hydrogen 3.398 N/A LEU 137.A N LEU 133.A O no hydrogen 2.947 N/A TYR 138.A N LYS 134.A O no hydrogen 2.777 N/A TYR 138.A OH CYS 32.A O no hydrogen 2.576 N/A GLU 139.A N LYS 135.A O no hydrogen 2.840 N/A ILE 140.A N TYR 136.A O no hydrogen 2.871 N/A ALA 141.A N LEU 137.A O no hydrogen 2.920 N/A ARG 142.A N TYR 138.A O no hydrogen 3.070 N/A ARG 142.A NE GLN 30.A O no hydrogen 2.985 N/A ARG 142.A NH1 GLU 139.A OE1 no hydrogen 2.849 N/A ARG 142.A NH2 GLN 30.A O no hydrogen 2.969 N/A ARG 143.A NE PRO 111.A O no hydrogen 3.088 N/A ARG 143.A NH1 GLU 139.A O no hydrogen 3.020 N/A ARG 143.A NH1 GLU 139.A OE1 no hydrogen 2.667 N/A ARG 143.A NH2 PRO 111.A O no hydrogen 2.783 N/A HIS 144.A N ILE 140.A O no hydrogen 3.067 N/A HIS 144.A N ALA 141.A O no hydrogen 3.277 N/A HIS 144.A ND1 ILE 140.A O no hydrogen 3.221 N/A TYR 146.A OH SER 191.A OG no hydrogen 2.344 N/A PHE 147.A N HIS 144.A O no hydrogen 3.105 N/A LEU 152.A N TYR 148.A O no hydrogen 3.123 N/A LEU 153.A N ALA 149.A O no hydrogen 2.942 N/A PHE 154.A N PRO 150.A O no hydrogen 2.962 N/A PHE 155.A N GLU 151.A O no hydrogen 3.080 N/A ALA 156.A N LEU 152.A O no hydrogen 3.144 N/A LYS 157.A N LEU 153.A O no hydrogen 3.261 N/A LYS 157.A NZ ASN 16.A OD1 no hydrogen 2.827 N/A ARG 158.A NH1 GLU 186.A OE2 no hydrogen 2.553 N/A ARG 158.A NH2 GLU 186.A OE1 no hydrogen 3.097 N/A ARG 158.A NH2 GLU 186.A OE2 no hydrogen 2.517 N/A TYR 159.A N PHE 155.A O no hydrogen 2.973 N/A LYS 160.A N ALA 156.A O no hydrogen 3.013 N/A ALA 161.A N LYS 157.A O no hydrogen 2.887 N/A ALA 162.A N ARG 158.A O no hydrogen 3.152 N/A ALA 162.A N TYR 159.A O no hydrogen 3.010 N/A PHE 163.A N TYR 159.A O no hydrogen 2.985 N/A THR 164.A N LYS 160.A O no hydrogen 3.042 N/A THR 164.A OG1 LYS 160.A O no hydrogen 3.190 N/A GLU 165.A N ALA 161.A O no hydrogen 3.186 N/A CYS 166.A N ALA 162.A O no hydrogen 2.906 N/A CYS 167.A N PHE 163.A O no hydrogen 2.835 N/A CYS 167.A SG PHE 163.A O no hydrogen 3.170 N/A ALA 169.A N CYS 166.A O no hydrogen 3.147 N/A ALA 174.A N ASP 171.A OD2 no hydrogen 3.480 N/A CYS 175.A N LYS 172.A O no hydrogen 2.893 N/A CYS 175.A SG GLU 165.A O no hydrogen 3.767 N/A LEU 176.A N LYS 172.A O no hydrogen 2.715 N/A LEU 177.A N ALA 173.A O no hydrogen 3.160 N/A LEU 180.A N LEU 176.A O no hydrogen 2.901 N/A ASP 181.A N LEU 177.A O no hydrogen 2.881 N/A GLU 182.A N PRO 178.A O no hydrogen 3.352 N/A LEU 183.A N LYS 179.A O no hydrogen 3.125 N/A ARG 184.A N LEU 180.A O no hydrogen 3.103 N/A ASP 185.A N ASP 181.A O no hydrogen 3.053 N/A GLU 186.A N GLU 182.A O no hydrogen 2.817 N/A GLY 187.A N LEU 183.A O no hydrogen 2.768 N/A LYS 188.A N ARG 184.A O no hydrogen 2.838 N/A ALA 189.A N ASP 185.A O no hydrogen 2.971 N/A SER 190.A N GLU 186.A O no hydrogen 3.047 N/A SER 190.A OG GLU 151.A OE1 no hydrogen 3.071 N/A SER 190.A OG GLU 151.A OE2 no hydrogen 2.839 N/A SER 191.A N GLY 187.A O no hydrogen 2.953 N/A SER 191.A OG TYR 146.A OH no hydrogen 2.344 N/A ALA 192.A N LYS 188.A O no hydrogen 2.808 N/A LYS 193.A N ALA 189.A O no hydrogen 2.651 N/A GLN 194.A N SER 190.A O no hydrogen 3.021 N/A ARG 195.A N SER 191.A O no hydrogen 3.246 N/A ARG 195.A NE TYR 146.A OH no hydrogen 2.985 N/A ARG 195.A NH2 TYR 146.A OH no hydrogen 2.767 N/A LEU 196.A N ALA 192.A O no hydrogen 2.848 N/A LYS 197.A N LYS 193.A O no hydrogen 2.839 N/A CYS 198.A N GLN 194.A O no hydrogen 3.142 N/A CYS 198.A SG GLN 194.A O no hydrogen 3.533 N/A ALA 199.A N ARG 195.A O no hydrogen 2.835 N/A SER 200.A N LEU 196.A O no hydrogen 2.938 N/A SER 200.A OG LEU 196.A O no hydrogen 2.719 N/A LEU 201.A N LYS 197.A O no hydrogen 3.001 N/A GLN 202.A N CYS 198.A O no hydrogen 3.011 N/A LYS 203.A N ALA 199.A O no hydrogen 2.655 N/A PHE 204.A N SER 200.A O no hydrogen 2.797 N/A GLY 205.A N LEU 201.A O no hydrogen 3.170 N/A ARG 207.A NE ASP 322.A OD1 no hydrogen 3.483 N/A ARG 207.A NH2 ASP 322.A OD1 no hydrogen 2.932 N/A ARG 207.A NH2 GLU 352.A OE2 no hydrogen 3.138 N/A PHE 209.A N GLY 205.A O no hydrogen 3.216 N/A LYS 210.A N GLU 206.A O no hydrogen 2.841 N/A ALA 211.A N ARG 207.A O no hydrogen 2.973 N/A TRP 212.A N ALA 208.A O no hydrogen 2.996 N/A ALA 213.A N PHE 209.A O no hydrogen 2.858 N/A VAL 214.A N LYS 210.A O no hydrogen 2.968 N/A ALA 215.A N ALA 211.A O no hydrogen 3.228 N/A ARG 216.A N TRP 212.A O no hydrogen 2.989 N/A LEU 217.A N ALA 213.A O no hydrogen 2.784 N/A SER 218.A N VAL 214.A O no hydrogen 2.856 N/A SER 218.A OG VAL 214.A O no hydrogen 3.019 N/A GLN 219.A N ALA 215.A O no hydrogen 3.112 N/A GLN 219.A NE2 HIS 336.A O no hydrogen 2.940 N/A GLN 219.A NE2 TYR 339.A O no hydrogen 2.729 N/A ARG 220.A N ARG 216.A O no hydrogen 3.432 N/A ARG 220.A NH2 ALA 289.A O no hydrogen 3.136 N/A PHE 221.A N LEU 217.A O no hydrogen 2.858 N/A LYS 223.A NZ ASP 294.A OD2 no hydrogen 3.356 N/A ALA 224.A N PHE 221.A O no hydrogen 3.008 N/A VAL 229.A N GLU 225.A O no hydrogen 3.020 N/A SER 230.A N PHE 226.A O no hydrogen 2.933 N/A SER 230.A OG PHE 226.A O no hydrogen 2.664 N/A LYS 231.A N ALA 227.A O no hydrogen 3.119 N/A LYS 231.A NZ ASP 235.A OD2 no hydrogen 2.438 N/A LEU 232.A N GLU 228.A O no hydrogen 3.075 N/A VAL 233.A N VAL 229.A O no hydrogen 2.878 N/A THR 234.A N SER 230.A O no hydrogen 3.037 N/A THR 234.A OG1 SER 230.A O no hydrogen 3.039 N/A ASP 235.A N LYS 231.A O no hydrogen 3.070 N/A LEU 236.A N LEU 232.A O no hydrogen 2.726 N/A THR 237.A N VAL 233.A O no hydrogen 2.834 N/A THR 237.A OG1 VAL 233.A O no hydrogen 2.813 N/A LYS 238.A N THR 234.A O no hydrogen 3.143 N/A VAL 239.A N ASP 235.A O no hydrogen 2.932 N/A HIS 240.A N LEU 236.A O no hydrogen 3.040 N/A THR 241.A N THR 237.A O no hydrogen 3.264 N/A THR 241.A OG1 THR 237.A O no hydrogen 3.244 N/A GLU 242.A N LYS 238.A O no hydrogen 3.246 N/A CYS 243.A N VAL 239.A O no hydrogen 2.869 N/A CYS 243.A SG VAL 239.A O no hydrogen 3.250 N/A CYS 244.A N HIS 240.A O no hydrogen 2.836 N/A CYS 244.A SG HIS 240.A O no hydrogen 2.902 N/A HIS 245.A N THR 241.A O no hydrogen 3.010 N/A GLY 246.A N CYS 243.A O no hydrogen 3.404 N/A GLU 250.A N ASP 247.A OD1 no hydrogen 3.158 N/A CYS 251.A N ASP 247.A O no hydrogen 2.961 N/A ALA 252.A N LEU 248.A O no hydrogen 2.839 N/A ASP 253.A N LEU 249.A O no hydrogen 3.133 N/A ASP 254.A N GLU 250.A O no hydrogen 2.910 N/A ARG 255.A N CYS 251.A O no hydrogen 2.930 N/A ARG 255.A NE SER 285.A OG no hydrogen 3.057 N/A ARG 255.A NH2 SER 285.A OG no hydrogen 2.658 N/A ALA 256.A N ALA 252.A O no hydrogen 2.894 N/A ASP 257.A N ASP 253.A O no hydrogen 2.937 N/A LEU 258.A N ASP 254.A O no hydrogen 3.045 N/A ALA 259.A N ARG 255.A O no hydrogen 3.016 N/A LYS 260.A N ALA 256.A O no hydrogen 2.947 N/A TYR 261.A N ASP 257.A O no hydrogen 3.005 N/A TYR 261.A OH GLU 228.A OE2 no hydrogen 2.661 N/A ILE 262.A N LEU 258.A O no hydrogen 2.906 N/A CYS 263.A N ALA 259.A O no hydrogen 2.887 N/A CYS 263.A SG ALA 259.A O no hydrogen 3.264 N/A GLU 264.A N LYS 260.A O no hydrogen 2.944 N/A ASN 265.A N TYR 261.A O no hydrogen 3.111 N/A GLN 266.A N CYS 263.A O no hydrogen 3.283 N/A SER 268.A N ASN 265.A O no hydrogen 2.789 N/A ILE 269.A N GLN 266.A O no hydrogen 2.808 N/A SER 270.A N GLN 266.A O no hydrogen 3.081 N/A SER 271.A N ASP 294.A OD2 no hydrogen 3.126 N/A SER 271.A OG ASP 294.A OD1 no hydrogen 2.885 N/A LYS 272.A N SER 270.A OG no hydrogen 3.037 N/A CYS 277.A N LEU 273.A O no hydrogen 3.031 N/A CYS 277.A SG LEU 273.A O no hydrogen 3.548 N/A GLU 278.A N GLU 275.A O no hydrogen 3.068 N/A LYS 279.A N CYS 276.A O no hydrogen 3.351 N/A LYS 279.A NZ GLU 283.A OE1 no hydrogen 3.243 N/A GLU 283.A N PRO 280.A O no hydrogen 2.951 N/A CYS 287.A N GLU 283.A O no hydrogen 2.977 N/A ILE 288.A N LYS 284.A O no hydrogen 2.901 N/A ALA 289.A N SER 285.A O no hydrogen 2.891 N/A GLU 290.A N CYS 287.A O no hydrogen 3.047 N/A VAL 291.A N ILE 288.A O no hydrogen 2.955 N/A ASP 294.A N ARG 220.A O no hydrogen 2.954 N/A GLU 295.A N ASP 294.A OD1 no hydrogen 2.698 N/A ALA 304.A N SER 302.A OG no hydrogen 3.363 N/A ALA 305.A N SER 302.A O no hydrogen 3.183 N/A PHE 307.A N LEU 303.A O no hydrogen 3.055 N/A VAL 308.A N ALA 304.A O no hydrogen 3.005 N/A GLU 309.A N ALA 304.A O no hydrogen 2.773 N/A SER 310.A N ALA 305.A O no hydrogen 3.138 N/A SER 310.A OG LYS 311.A O no hydrogen 2.690 N/A ASN 316.A N ASP 312.A O no hydrogen 2.940 N/A TYR 317.A N VAL 313.A O no hydrogen 2.715 N/A TYR 317.A OH GLU 356.A OE1 no hydrogen 2.490 N/A ALA 318.A N CYS 314.A O no hydrogen 2.788 N/A GLU 319.A N LYS 315.A O no hydrogen 3.230 N/A ALA 320.A N TYR 317.A O no hydrogen 3.280 N/A LYS 321.A NZ GLU 356.A OE2 no hydrogen 2.994 N/A PHE 324.A N ALA 320.A O no hydrogen 2.862 N/A LEU 325.A N LYS 321.A O no hydrogen 2.819 N/A GLY 326.A N ASP 322.A O no hydrogen 2.723 N/A MET 327.A N VAL 323.A O no hydrogen 2.916 N/A PHE 328.A N PHE 324.A O no hydrogen 2.965 N/A LEU 329.A N LEU 325.A O no hydrogen 3.063 N/A TYR 330.A N GLY 326.A O no hydrogen 2.926 N/A TYR 330.A OH ALA 224.A O no hydrogen 2.657 N/A GLU 331.A N MET 327.A O no hydrogen 2.893 N/A TYR 332.A N PHE 328.A O no hydrogen 2.763 N/A ALA 333.A N LEU 329.A O no hydrogen 2.588 N/A ARG 334.A N TYR 330.A O no hydrogen 2.952 N/A ARG 334.A NE GLU 331.A OE1 no hydrogen 3.331 N/A ARG 334.A NH1 PRO 222.A O no hydrogen 2.682 N/A ARG 335.A N TYR 332.A O no hydrogen 3.301 N/A ARG 335.A NH2 GLU 331.A OE1 no hydrogen 2.788 N/A HIS 336.A N ALA 333.A O no hydrogen 2.953 N/A TYR 339.A N HIS 336.A O no hydrogen 3.285 N/A VAL 341.A N GLU 448.A OE2 no hydrogen 2.617 N/A VAL 342.A N GLU 448.A OE1 no hydrogen 2.880 N/A LEU 343.A N SER 340.A OG no hydrogen 3.129 N/A LEU 344.A N SER 340.A O no hydrogen 3.259 N/A LEU 345.A N VAL 341.A O no hydrogen 2.934 N/A ARG 346.A N VAL 342.A O no hydrogen 2.835 N/A ARG 346.A NE VAL 480.A O no hydrogen 2.965 N/A ARG 346.A NH2 VAL 480.A O no hydrogen 3.275 N/A LEU 347.A N LEU 343.A O no hydrogen 2.982 N/A ALA 348.A N LEU 344.A O no hydrogen 3.080 N/A LYS 349.A N LEU 345.A O no hydrogen 2.788 N/A THR 350.A N ARG 346.A O no hydrogen 3.002 N/A THR 350.A OG1 ARG 346.A O no hydrogen 2.982 N/A TYR 351.A N LEU 347.A O no hydrogen 2.935 N/A TYR 351.A OH PHE 307.A O no hydrogen 2.850 N/A GLU 352.A N ALA 348.A O no hydrogen 2.928 N/A THR 353.A N LYS 349.A O no hydrogen 2.949 N/A THR 354.A N THR 350.A O no hydrogen 3.057 N/A THR 354.A OG1 THR 350.A O no hydrogen 3.421 N/A LEU 355.A N TYR 351.A O no hydrogen 2.928 N/A GLU 356.A N GLU 352.A O no hydrogen 2.857 N/A LYS 357.A N THR 354.A O no hydrogen 3.085 N/A CYS 358.A N THR 354.A O no hydrogen 2.799 N/A CYS 359.A N LEU 355.A O no hydrogen 3.039 N/A CYS 359.A SG LEU 355.A O no hydrogen 3.110 N/A ALA 361.A N CYS 358.A O no hydrogen 2.894 N/A HIS 365.A ND1 HIS 365.A O no hydrogen 2.374 N/A GLU 366.A N ASP 363.A O no hydrogen 3.047 N/A CYS 367.A N PRO 364.A O no hydrogen 2.678 N/A TYR 368.A N PRO 364.A O no hydrogen 3.295 N/A GLU 374.A N VAL 371.A O no hydrogen 2.682 N/A PHE 375.A N PHE 372.A O no hydrogen 3.391 N/A LEU 378.A N PHE 375.A O no hydrogen 2.779 N/A VAL 379.A N PHE 375.A O no hydrogen 3.091 N/A GLU 380.A N LYS 376.A O no hydrogen 2.941 N/A GLU 381.A N PRO 377.A O no hydrogen 3.116 N/A ASN 384.A N GLU 380.A O no hydrogen 2.874 N/A LEU 385.A N GLU 381.A O no hydrogen 3.197 N/A ILE 386.A N PRO 382.A O no hydrogen 2.938 N/A LYS 387.A N GLN 383.A O no hydrogen 2.901 N/A GLN 388.A N ASN 384.A O no hydrogen 2.892 N/A ASN 389.A N LEU 385.A O no hydrogen 2.817 N/A ASN 389.A ND2 LEU 385.A O no hydrogen 2.869 N/A CYS 390.A N ILE 386.A O no hydrogen 2.846 N/A GLU 391.A N LYS 387.A O no hydrogen 3.057 N/A LEU 392.A N GLN 388.A O no hydrogen 3.242 N/A PHE 393.A N ASN 389.A O no hydrogen 2.917 N/A GLU 394.A N CYS 390.A O no hydrogen 2.973 N/A GLN 395.A N GLU 391.A O no hydrogen 2.930 N/A LEU 396.A N LEU 392.A O no hydrogen 3.084 N/A GLY 397.A N PHE 393.A O no hydrogen 2.944 N/A PHE 401.A N GLY 397.A O no hydrogen 2.834 N/A GLN 402.A N GLU 398.A O no hydrogen 2.773 N/A GLN 402.A NE2 ARG 426.A O no hydrogen 3.138 N/A ASN 403.A N TYR 399.A O no hydrogen 3.158 N/A ALA 404.A N LYS 400.A O no hydrogen 3.139 N/A LEU 405.A N PHE 401.A O no hydrogen 3.159 N/A LEU 406.A N GLN 402.A O no hydrogen 2.874 N/A VAL 407.A N ASN 403.A O no hydrogen 2.956 N/A ARG 408.A N ALA 404.A O no hydrogen 3.121 N/A ARG 408.A NH1 ASN 389.A OD1 no hydrogen 3.383 N/A ARG 408.A NH2 ASN 389.A OD1 no hydrogen 3.385 N/A ARG 408.A NH2 TYR 409.A OH no hydrogen 2.718 N/A TYR 409.A N LEU 405.A O no hydrogen 2.904 N/A THR 410.A N LEU 406.A O no hydrogen 3.168 N/A THR 410.A OG1 LEU 406.A O no hydrogen 2.662 N/A LYS 411.A N VAL 407.A O no hydrogen 3.240 N/A LYS 411.A NZ ALA 537.A O no hydrogen 2.526 N/A LYS 412.A N TYR 409.A O no hydrogen 2.956 N/A LYS 412.A NZ LEU 489.A O no hydrogen 2.854 N/A VAL 413.A N TYR 409.A O no hydrogen 2.884 N/A GLN 415.A NE2 ASP 492.A OD2 no hydrogen 2.746 N/A VAL 416.A N VAL 413.A O no hydrogen 3.220 N/A THR 418.A OG1 GLU 529.A OE2 no hydrogen 2.762 N/A THR 420.A N SER 417.A O no hydrogen 3.115 N/A LEU 421.A N SER 417.A O no hydrogen 3.013 N/A VAL 422.A N THR 418.A O no hydrogen 3.015 N/A GLU 423.A N PRO 419.A O no hydrogen 3.137 N/A VAL 424.A N THR 420.A O no hydrogen 2.889 N/A SER 425.A N LEU 421.A O no hydrogen 2.937 N/A SER 425.A OG LEU 421.A O no hydrogen 2.610 N/A ARG 426.A N VAL 422.A O no hydrogen 2.949 N/A ARG 426.A NE GLN 524.A OE1 no hydrogen 2.945 N/A ASN 427.A N GLU 423.A O no hydrogen 3.001 N/A LEU 428.A N VAL 424.A O no hydrogen 2.937 N/A GLY 429.A N SER 425.A O no hydrogen 3.078 N/A LYS 430.A N ARG 426.A O no hydrogen 3.165 N/A VAL 431.A N ASN 427.A O no hydrogen 3.181 N/A GLY 432.A N LEU 428.A O no hydrogen 2.980 N/A SER 433.A N GLY 429.A O no hydrogen 2.807 N/A SER 433.A OG GLU 398.A OE1 no hydrogen 3.311 N/A LYS 434.A N LYS 430.A O no hydrogen 2.893 N/A LYS 434.A N VAL 431.A O no hydrogen 3.191 N/A CYS 435.A N VAL 431.A O no hydrogen 2.851 N/A CYS 436.A N GLY 432.A O no hydrogen 2.985 N/A CYS 436.A SG GLY 432.A O no hydrogen 3.022 N/A HIS 438.A N CYS 435.A O no hydrogen 3.254 N/A LYS 442.A N PRO 439.A O no hydrogen 2.971 N/A ARG 443.A NE HIS 438.A O no hydrogen 2.924 N/A ARG 443.A NH2 CYS 436.A O no hydrogen 2.983 N/A ARG 443.A NH2 HIS 438.A O no hydrogen 3.433 N/A CYS 446.A N LYS 442.A O no hydrogen 3.278 N/A ALA 447.A N ARG 443.A O no hydrogen 2.993 N/A GLU 448.A N MET 444.A O no hydrogen 2.908 N/A ASP 449.A N PRO 445.A O no hydrogen 3.024 N/A TYR 450.A N CYS 446.A O no hydrogen 3.262 N/A LEU 451.A N ALA 447.A O no hydrogen 2.739 N/A SER 452.A N GLU 448.A O no hydrogen 3.017 N/A SER 452.A OG GLU 448.A O no hydrogen 3.293 N/A SER 452.A OG ASP 449.A O no hydrogen 3.044 N/A VAL 454.A N TYR 450.A O no hydrogen 3.204 N/A LEU 455.A N LEU 451.A O no hydrogen 2.842 N/A ASN 456.A N SER 452.A O no hydrogen 2.900 N/A GLN 457.A N VAL 453.A O no hydrogen 3.026 N/A LEU 458.A N VAL 454.A O no hydrogen 3.091 N/A CYS 459.A N LEU 455.A O no hydrogen 3.069 N/A CYS 459.A SG LEU 455.A O no hydrogen 3.347 N/A VAL 460.A N ASN 456.A O no hydrogen 2.921 N/A LEU 461.A N GLN 457.A O no hydrogen 3.133 N/A HIS 462.A N LEU 458.A O no hydrogen 2.948 N/A GLU 463.A N CYS 459.A O no hydrogen 2.683 N/A LYS 464.A N VAL 460.A O no hydrogen 3.254 N/A LYS 464.A N LEU 461.A O no hydrogen 2.708 N/A THR 465.A N LEU 461.A O no hydrogen 3.153 N/A VAL 467.A N HIS 462.A NE2 no hydrogen 2.970 N/A SER 468.A N HIS 462.A NE2 no hydrogen 3.037 N/A ARG 470.A N SER 468.A OG no hydrogen 3.262 N/A ARG 470.A NH1 LYS 412.A O no hydrogen 3.245 N/A ARG 470.A NH2 LYS 412.A O no hydrogen 2.956 N/A THR 472.A N SER 468.A O no hydrogen 3.039 N/A THR 472.A OG1 SER 468.A O no hydrogen 3.002 N/A LYS 473.A N ASP 469.A O no hydrogen 2.823 N/A LYS 473.A NZ GLU 477.A OE2 no hydrogen 3.080 N/A CYS 474.A N ARG 470.A O no hydrogen 3.173 N/A CYS 474.A SG ARG 470.A O no hydrogen 3.591 N/A CYS 475.A N VAL 471.A O no hydrogen 2.746 N/A THR 476.A N THR 472.A O no hydrogen 2.800 N/A THR 476.A OG1 THR 472.A O no hydrogen 2.792 N/A GLU 477.A N LYS 473.A O no hydrogen 3.032 N/A VAL 480.A N SER 478.A OG no hydrogen 3.207 N/A ASN 481.A N SER 478.A O no hydrogen 3.188 N/A ARG 482.A NH1 ASN 456.A OD1 no hydrogen 2.752 N/A ARG 482.A NH2 CYS 475.A O no hydrogen 2.630 N/A ARG 483.A NH1 GLU 381.A OE2 no hydrogen 2.472 N/A ARG 483.A NH1 SER 487.A OG no hydrogen 2.676 N/A ARG 483.A NH2 GLU 381.A OE2 no hydrogen 2.922 N/A CYS 485.A N ASN 481.A O no hydrogen 2.908 N/A CYS 485.A SG GLU 477.A OE1 no hydrogen 3.674 N/A PHE 486.A N ARG 482.A O no hydrogen 3.193 N/A SER 487.A N ARG 483.A O no hydrogen 2.838 N/A SER 487.A OG ARG 483.A O no hydrogen 2.869 N/A ALA 488.A N PRO 484.A O no hydrogen 2.906 N/A LEU 489.A N PHE 486.A O no hydrogen 3.145 N/A ASP 492.A N LYS 411.A O no hydrogen 3.045 N/A TYR 495.A N ASP 492.A OD1 no hydrogen 2.710 N/A LYS 498.A N LYS 532.A O no hydrogen 3.143 N/A LYS 498.A NZ GLU 529.A OE2 no hydrogen 3.430 N/A THR 504.A N ASN 501.A OD1 no hydrogen 3.387 N/A PHE 505.A N ALA 502.A O no hydrogen 2.781 N/A THR 506.A N GLU 503.A O no hydrogen 3.438 N/A THR 506.A OG1 ALA 502.A O no hydrogen 2.475 N/A ILE 511.A N HIS 508.A O no hydrogen 3.208 N/A CYS 512.A N ALA 509.A O no hydrogen 2.603 N/A LEU 514.A N ASP 510.A O no hydrogen 3.035 N/A ARG 519.A N SER 515.A O no hydrogen 3.046 N/A GLN 520.A N GLU 516.A O no hydrogen 3.286 N/A ILE 521.A N LYS 517.A O no hydrogen 3.148 N/A LYS 522.A N GLU 518.A O no hydrogen 3.031 N/A LYS 523.A N ARG 519.A O no hydrogen 2.878 N/A LYS 523.A NZ TYR 399.A OH no hydrogen 3.405 N/A GLN 524.A N GLN 520.A O no hydrogen 2.617 N/A GLN 524.A NE2 GLN 402.A OE1 no hydrogen 3.356 N/A GLN 524.A NE2 ASN 403.A OD1 no hydrogen 3.080 N/A THR 525.A N ILE 521.A O no hydrogen 2.919 N/A THR 525.A OG1 ILE 521.A O no hydrogen 2.585 N/A ALA 526.A N LYS 522.A O no hydrogen 3.288 N/A LEU 527.A N LYS 523.A O no hydrogen 2.861 N/A VAL 528.A N GLN 524.A O no hydrogen 2.968 N/A GLU 529.A N THR 525.A O no hydrogen 3.139 N/A LEU 530.A N ALA 526.A O no hydrogen 2.722 N/A VAL 531.A N LEU 527.A O no hydrogen 3.118 N/A LYS 532.A N VAL 528.A O no hydrogen 2.910 N/A LYS 532.A NZ VAL 416.A O no hydrogen 2.531 N/A LYS 532.A NZ THR 418.A OG1 no hydrogen 2.953 N/A HIS 533.A N GLU 529.A O no hydrogen 3.002 N/A HIS 533.A N LEU 530.A O no hydrogen 3.216 N/A HIS 533.A ND1 LYS 498.A O no hydrogen 2.536 N/A LYS 534.A N LEU 530.A O no hydrogen 3.001 N/A ALA 537.A N LYS 534.A O no hydrogen 3.221 N/A THR 538.A N GLN 541.A OE1 no hydrogen 2.733 N/A LEU 542.A N THR 538.A O no hydrogen 2.943 N/A LYS 543.A N LYS 539.A O no hydrogen 2.986 N/A ALA 544.A N GLU 540.A O no hydrogen 2.983 N/A VAL 545.A N GLN 541.A O no hydrogen 3.040 N/A MET 546.A N LEU 542.A O no hydrogen 2.867 N/A ASP 547.A N LYS 543.A O no hydrogen 2.877 N/A ASP 548.A N ALA 544.A O no hydrogen 2.882 N/A PHE 549.A N VAL 545.A O no hydrogen 3.034 N/A ALA 550.A N MET 546.A O no hydrogen 2.987 N/A ALA 551.A N ASP 547.A O no hydrogen 3.302 N/A PHE 552.A N ASP 548.A O no hydrogen 3.201 N/A VAL 553.A N PHE 549.A O no hydrogen 3.008 N/A GLU 554.A N ALA 550.A O no hydrogen 3.236 N/A LYS 555.A N ALA 551.A O no hydrogen 2.616 N/A CYS 557.A N VAL 553.A O no hydrogen 2.859 N/A CYS 557.A N GLU 554.A O no hydrogen 3.230 N/A CYS 557.A SG VAL 553.A O no hydrogen 3.031 N/A LYS 558.A N GLU 554.A O no hydrogen 3.108 N/A CYS 565.A SG LYS 555.A O no hydrogen 3.665 N/A PHE 566.A N LYS 562.A O no hydrogen 3.190 N/A ALA 567.A N THR 564.A O no hydrogen 2.597 N/A GLU 568.A N THR 564.A O no hydrogen 2.762 N/A GLU 569.A N CYS 565.A O no hydrogen 2.762 N/A LYS 571.A N ALA 567.A O no hydrogen 3.344 N/A LYS 572.A N GLU 568.A O no hydrogen 3.336 N/A LEU 573.A N GLU 569.A O no hydrogen 2.852 N/A VAL 574.A N GLY 570.A O no hydrogen 3.085 N/A ALA 575.A N LYS 571.A O no hydrogen 3.039 N/A ALA 576.A N LYS 572.A O no hydrogen 2.781 N/A SER 577.A N LEU 573.A O no hydrogen 2.724 N/A SER 577.A OG LEU 573.A O no hydrogen 3.032 N/A GLN 578.A N VAL 574.A O no hydrogen 2.967 N/A ALA 579.A N ALA 575.A O no hydrogen 3.417 N/A ALA 580.A N ALA 576.A O no hydrogen 2.962 N/A LEU 581.A N SER 577.A O no hydrogen 2.931 N/A GLY 582.A N ALA 579.A O no hydrogen 2.829 N/A