Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wa5_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N SER 2.A OG no hydrogen 3.364 N/A THR 6.A N SER 2.A O no hydrogen 2.964 N/A THR 6.A OG1 SER 2.A O no hydrogen 3.333 N/A VAL 7.A N ASP 3.A O no hydrogen 3.084 N/A ALA 8.A N LEU 4.A O no hydrogen 3.022 N/A LYS 9.A N GLU 5.A O no hydrogen 2.992 N/A PHE 10.A N THR 6.A O no hydrogen 3.414 N/A LEU 11.A N VAL 7.A O no hydrogen 2.998 N/A ALA 12.A N ALA 8.A O no hydrogen 2.948 N/A GLU 13.A N LYS 9.A O no hydrogen 3.077 N/A SER 14.A N PHE 10.A O no hydrogen 3.009 N/A SER 14.A N LEU 11.A O no hydrogen 3.225 N/A SER 14.A OG LEU 11.A O no hydrogen 2.634 N/A VAL 15.A N ALA 12.A O no hydrogen 3.399 N/A ILE 16.A N GLU 13.A O no hydrogen 3.092 N/A THR 19.A N ILE 16.A O no hydrogen 2.982 N/A ALA 20.A N ALA 17.A O no hydrogen 3.296 N/A SER 23.A N THR 19.A O no hydrogen 2.777 N/A SER 23.A OG PHE 10.A O no hydrogen 3.529 N/A SER 23.A OG THR 19.A O no hydrogen 2.511 N/A GLU 24.A N ALA 20.A O no hydrogen 3.513 N/A ARG 25.A N LYS 21.A O no hydrogen 3.151 N/A ASN 26.A N THR 22.A O no hydrogen 3.016 N/A LEU 27.A N SER 23.A O no hydrogen 2.743 N/A ARG 28.A N GLU 24.A O no hydrogen 2.760 N/A GLN 29.A N ARG 25.A O no hydrogen 3.129 N/A LEU 30.A N ASN 26.A O no hydrogen 2.917 N/A GLU 31.A N LEU 27.A O no hydrogen 2.682 N/A THR 32.A N GLN 29.A O no hydrogen 3.078 N/A THR 32.A OG1 GLN 29.A O no hydrogen 3.347 N/A GLN 33.A N LEU 30.A O no hydrogen 3.151 N/A THR 39.A N GLY 35.A O no hydrogen 2.996 N/A THR 39.A OG1 ASP 3.A OD2 no hydrogen 3.426 N/A THR 39.A OG1 GLY 35.A O no hydrogen 3.199 N/A LEU 40.A N PHE 36.A O no hydrogen 2.952 N/A LEU 41.A N GLY 37.A O no hydrogen 3.220 N/A HIS 42.A N LEU 38.A O no hydrogen 3.134 N/A VAL 43.A N THR 39.A O no hydrogen 3.084 N/A ILE 44.A N LEU 40.A O no hydrogen 2.911 N/A ALA 45.A N LEU 41.A O no hydrogen 3.139 N/A SER 46.A N VAL 43.A O no hydrogen 3.007 N/A SER 46.A OG HIS 42.A O no hydrogen 2.681 N/A LEU 49.A N SER 46.A O no hydrogen 3.089 N/A THR 53.A N PRO 50.A O no hydrogen 2.852 N/A ARG 54.A N PRO 50.A O no hydrogen 3.133 N/A LEU 55.A N LEU 51.A O no hydrogen 2.793 N/A ALA 56.A N SER 52.A O no hydrogen 2.857 N/A GLY 57.A N THR 53.A O no hydrogen 2.914 N/A ALA 58.A N ARG 54.A O no hydrogen 2.800 N/A LEU 59.A N LEU 55.A O no hydrogen 2.805 N/A PHE 60.A N ALA 56.A O no hydrogen 2.922 N/A PHE 61.A N GLY 57.A O no hydrogen 2.912 N/A LYS 62.A N ALA 58.A O no hydrogen 3.022 N/A LYS 62.A NZ GLN 104.A OE1 no hydrogen 2.898 N/A ASN 63.A N LEU 59.A O no hydrogen 3.018 N/A PHE 64.A N PHE 60.A O no hydrogen 2.791 N/A ILE 65.A N PHE 61.A O no hydrogen 2.934 N/A LYS 66.A N LYS 62.A O no hydrogen 3.102 N/A ARG 67.A N ASN 63.A O no hydrogen 2.948 N/A ARG 67.A NH2 GLU 31.A OE1 no hydrogen 2.518 N/A ARG 67.A NH2 GLU 31.A OE2 no hydrogen 2.630 N/A LYS 68.A N PHE 64.A O no hydrogen 2.676 N/A LYS 68.A NZ GLU 31.A OE2 no hydrogen 2.882 N/A TRP 69.A N ILE 65.A O no hydrogen 3.109 N/A TRP 69.A NE1 ASP 116.A OD2 no hydrogen 2.454 N/A ASP 71.A N ASN 75.A O no hydrogen 3.187 N/A ASN 73.A N ASP 71.A OD1 no hydrogen 2.748 N/A ASN 75.A ND2 ASP 71.A OD2 no hydrogen 3.339 N/A LEU 77.A N TRP 69.A O no hydrogen 3.101 N/A ASN 82.A N PRO 79.A O no hydrogen 2.898 N/A VAL 83.A N PRO 79.A O no hydrogen 3.063 N/A GLU 84.A N ALA 80.A O no hydrogen 3.393 N/A LEU 85.A N ASN 81.A O no hydrogen 3.192 N/A ILE 86.A N ASN 82.A O no hydrogen 2.731 N/A LYS 87.A N VAL 83.A O no hydrogen 3.355 N/A LYS 87.A NZ ARG 120.A O no hydrogen 2.618 N/A LYS 88.A N GLU 84.A O no hydrogen 3.227 N/A LYS 88.A N LEU 85.A O no hydrogen 3.011 N/A GLU 89.A N LEU 85.A O no hydrogen 3.013 N/A ILE 90.A N ILE 86.A O no hydrogen 2.835 N/A LEU 93.A N GLU 89.A O no hydrogen 2.818 N/A MET 94.A N ILE 90.A O no hydrogen 2.919 N/A ILE 95.A N VAL 91.A O no hydrogen 3.257 N/A SER 96.A N PRO 92.A O no hydrogen 3.411 N/A SER 96.A N LEU 93.A O no hydrogen 3.107 N/A SER 96.A OG LEU 93.A O no hydrogen 2.695 N/A LEU 97.A N MET 94.A O no hydrogen 3.351 N/A LEU 101.A N PRO 98.A O no hydrogen 3.174 N/A GLN 102.A N PRO 98.A O no hydrogen 2.798 N/A VAL 103.A N ASN 99.A O no hydrogen 3.057 N/A ILE 105.A N LEU 101.A O no hydrogen 3.186 N/A GLY 106.A N GLN 102.A O no hydrogen 2.826 N/A GLU 107.A N VAL 103.A O no hydrogen 2.868 N/A ALA 108.A N GLN 104.A O no hydrogen 2.878 N/A ILE 109.A N ILE 105.A O no hydrogen 2.917 N/A SER 110.A N GLY 106.A O no hydrogen 3.063 N/A SER 110.A OG GLY 106.A O no hydrogen 3.160 N/A SER 111.A N GLU 107.A O no hydrogen 3.001 N/A SER 111.A OG GLU 107.A O no hydrogen 3.111 N/A ILE 112.A N ALA 108.A O no hydrogen 3.017 N/A ALA 113.A N ILE 109.A O no hydrogen 2.837 N/A ASP 114.A N SER 110.A O no hydrogen 2.740 N/A SER 115.A N ILE 112.A O no hydrogen 3.038 N/A SER 115.A OG ASP 116.A OD1 no hydrogen 3.360 N/A ASP 116.A N ILE 112.A O no hydrogen 2.668 N/A ARG 120.A N PHE 117.A O no hydrogen 2.825 N/A ARG 120.A NH1 GLY 74.A O no hydrogen 2.524 N/A ARG 120.A NH1 ASP 116.A OD1 no hydrogen 3.048 N/A ARG 120.A NH2 GLY 74.A O no hydrogen 3.202 N/A LEU 124.A N TRP 121.A O no hydrogen 3.332 N/A ASP 127.A N THR 123.A O no hydrogen 2.968 N/A LEU 128.A N LEU 124.A O no hydrogen 3.006 N/A ALA 129.A N LEU 125.A O no hydrogen 3.106 N/A SER 130.A N SER 126.A O no hydrogen 2.600 N/A SER 130.A OG SER 126.A O no hydrogen 3.036 N/A SER 130.A OG ASP 127.A O no hydrogen 2.917 N/A ARG 131.A N LEU 128.A O no hydrogen 3.015 N/A LEU 132.A N ALA 129.A O no hydrogen 2.989 N/A SER 133.A N ASN 140.A OD1 no hydrogen 3.154 N/A SER 133.A OG ASP 135.A OD1 no hydrogen 2.467 N/A VAL 138.A N ASP 136.A OD1 no hydrogen 3.188 N/A THR 139.A N ASP 136.A OD1 no hydrogen 3.500 N/A THR 139.A OG1 ASP 136.A OD2 no hydrogen 2.656 N/A ASN 140.A ND2 SER 133.A O no hydrogen 2.811 N/A LYS 141.A NZ ASN 99.A OD1 no hydrogen 3.300 N/A GLY 142.A N VAL 138.A O no hydrogen 3.268 N/A VAL 143.A N THR 139.A O no hydrogen 2.934 N/A LEU 144.A N ASN 140.A O no hydrogen 2.898 N/A THR 145.A N LYS 141.A O no hydrogen 2.954 N/A THR 145.A OG1 LYS 141.A O no hydrogen 2.625 N/A VAL 146.A N GLY 142.A O no hydrogen 3.289 N/A ALA 147.A N VAL 143.A O no hydrogen 3.090 N/A HIS 148.A N LEU 144.A O no hydrogen 2.833 N/A HIS 148.A ND1 ASP 213.A OD2 no hydrogen 2.642 N/A SER 149.A N THR 145.A O no hydrogen 3.018 N/A SER 149.A OG THR 145.A O no hydrogen 3.092 N/A ILE 150.A N VAL 146.A O no hydrogen 3.058 N/A PHE 151.A N ALA 147.A O no hydrogen 2.812 N/A LYS 152.A N HIS 148.A O no hydrogen 2.856 N/A ARG 153.A N ILE 150.A O no hydrogen 3.316 N/A ARG 153.A NH1 SER 110.A O no hydrogen 3.134 N/A ARG 153.A NH2 SER 110.A O no hydrogen 3.216 N/A TRP 154.A N PHE 151.A O no hydrogen 3.059 N/A TRP 154.A NE1 GLU 166.A OE1 no hydrogen 2.675 N/A ARG 155.A N LYS 152.A O no hydrogen 3.284 N/A ARG 155.A NE ASP 213.A OD1 no hydrogen 2.894 N/A ARG 155.A NH2 ASP 213.A OD1 no hydrogen 2.676 N/A LEU 157.A N TRP 154.A O no hydrogen 3.247 N/A LEU 163.A N SER 160.A OG no hydrogen 3.029 N/A PHE 164.A N SER 160.A O no hydrogen 2.972 N/A LEU 165.A N ASP 161.A O no hydrogen 2.765 N/A GLU 166.A N GLU 162.A O no hydrogen 3.079 N/A ILE 167.A N LEU 163.A O no hydrogen 2.914 N/A LYS 168.A N PHE 164.A O no hydrogen 2.878 N/A LEU 169.A N LEU 165.A O no hydrogen 2.895 N/A VAL 170.A N GLU 166.A O no hydrogen 3.034 N/A LEU 171.A N ILE 167.A O no hydrogen 2.903 N/A ASP 172.A N LYS 168.A O no hydrogen 3.033 N/A VAL 173.A N VAL 170.A O no hydrogen 3.063 N/A PHE 174.A N VAL 170.A O no hydrogen 3.070 N/A THR 175.A N LEU 171.A O no hydrogen 2.940 N/A THR 175.A OG1 LEU 171.A O no hydrogen 2.515 N/A PHE 178.A N PHE 174.A O no hydrogen 2.549 N/A LEU 179.A N THR 175.A O no hydrogen 3.074 N/A ASN 180.A N ALA 176.A O no hydrogen 3.045 N/A LEU 181.A N PRO 177.A O no hydrogen 2.815 N/A LEU 182.A N PHE 178.A O no hydrogen 2.861 N/A LYS 183.A N LEU 179.A O no hydrogen 2.885 N/A THR 184.A N ASN 180.A O no hydrogen 2.951 N/A THR 184.A OG1 ASN 180.A O no hydrogen 3.065 N/A VAL 185.A N LEU 181.A O no hydrogen 3.118 N/A GLU 187.A N LYS 183.A O no hydrogen 3.393 N/A GLN 188.A N THR 184.A O no hydrogen 2.924 N/A GLN 188.A NE2 ASN 134.A O no hydrogen 2.555 N/A ILE 189.A N VAL 185.A O no hydrogen 2.946 N/A ILE 189.A N ASP 186.A O no hydrogen 3.186 N/A ALA 191.A N GLN 188.A O no hydrogen 2.671 N/A ASN 198.A ND2 LYS 194.A O no hydrogen 2.505 N/A ILE 199.A N ALA 195.A O no hydrogen 3.118 N/A LEU 200.A N SER 196.A O no hydrogen 2.970 N/A LEU 200.A N LEU 197.A O no hydrogen 2.754 N/A PHE 201.A N LEU 197.A O no hydrogen 2.887 N/A LEU 204.A N LEU 200.A O no hydrogen 2.960 N/A LEU 205.A N PHE 201.A O no hydrogen 3.197 N/A VAL 206.A N ASP 202.A O no hydrogen 3.258 N/A LEU 207.A N VAL 203.A O no hydrogen 2.906 N/A ILE 208.A N LEU 204.A O no hydrogen 2.734 N/A LYS 209.A N LEU 205.A O no hydrogen 3.054 N/A LEU 210.A N VAL 206.A O no hydrogen 2.833 N/A TYR 211.A N LEU 207.A O no hydrogen 2.909 N/A TYR 212.A N ILE 208.A O no hydrogen 3.308 N/A ASP 213.A N LYS 209.A O no hydrogen 3.009 N/A PHE 214.A N LEU 210.A O no hydrogen 2.918 N/A ASN 215.A N TYR 211.A O no hydrogen 3.266 N/A ASN 215.A N TYR 212.A O no hydrogen 2.936 N/A ASN 215.A ND2 TYR 211.A O no hydrogen 2.599 N/A CYS 216.A SG ASP 213.A O no hydrogen 3.371 N/A GLN 217.A NE2 TRP 154.A O no hydrogen 2.900 N/A GLN 217.A NE2 LEU 157.A O no hydrogen 3.191 N/A ILE 219.A N ASP 218.A OD1 no hydrogen 2.886 N/A GLU 224.A N PRO 220.A O no hydrogen 2.929 N/A ASP 225.A N GLU 221.A O no hydrogen 2.924 N/A ASN 226.A N PHE 222.A O no hydrogen 3.090 N/A ASN 226.A ND2 PHE 222.A O no hydrogen 3.068 N/A ILE 227.A N GLU 224.A O no hydrogen 3.183 N/A GLY 230.A N ASN 226.A O no hydrogen 3.230 N/A MET 231.A N ILE 227.A O no hydrogen 3.033 N/A GLY 232.A N GLN 228.A O no hydrogen 3.289 N/A ILE 233.A N VAL 229.A O no hydrogen 3.132 N/A PHE 234.A N GLY 230.A O no hydrogen 3.369 N/A HIS 235.A N MET 231.A O no hydrogen 2.710 N/A LYS 236.A N GLY 232.A O no hydrogen 3.020 N/A LYS 236.A NZ ASP 186.A OD2 no hydrogen 2.938 N/A TYR 237.A N PHE 234.A O no hydrogen 2.969 N/A SER 239.A OG LYS 236.A O no hydrogen 3.510 N/A ALA 248.A N HIS 247.A ND1 no hydrogen 2.533 N/A VAL 250.A N SER 249.A OG no hydrogen 2.715 N/A LYS 253.A N SER 249.A O no hydrogen 3.042 N/A VAL 254.A N VAL 250.A O no hydrogen 2.652 N/A LYS 255.A N LEU 251.A O no hydrogen 3.130 N/A LYS 255.A NZ LEU 238.A O no hydrogen 3.215 N/A SER 256.A N ILE 252.A O no hydrogen 3.197 N/A SER 256.A OG ILE 252.A O no hydrogen 3.080 N/A SER 257.A N LYS 253.A O no hydrogen 2.810 N/A SER 257.A OG LYS 253.A O no hydrogen 2.964 N/A ILE 258.A N VAL 254.A O no hydrogen 2.958 N/A GLN 259.A N LYS 255.A O no hydrogen 2.970 N/A GLN 259.A NE2 THR 284.A OG1 no hydrogen 3.188 N/A GLN 259.A NE2 SER 304.A OG no hydrogen 3.082 N/A GLU 260.A N SER 256.A O no hydrogen 2.939 N/A LEU 261.A N SER 257.A O no hydrogen 3.112 N/A VAL 262.A N ILE 258.A O no hydrogen 2.857 N/A GLN 263.A N GLN 259.A O no hydrogen 2.955 N/A LEU 264.A N GLU 260.A O no hydrogen 3.029 N/A TYR 265.A N LEU 261.A O no hydrogen 2.890 N/A TYR 265.A OH ASN 215.A OD1 no hydrogen 2.729 N/A THR 266.A N VAL 262.A O no hydrogen 2.972 N/A THR 266.A OG1 VAL 262.A O no hydrogen 2.742 N/A THR 267.A N GLN 263.A O no hydrogen 2.914 N/A THR 267.A OG1 GLN 263.A O no hydrogen 2.876 N/A THR 267.A OG1 LEU 264.A O no hydrogen 3.471 N/A ARG 268.A N LEU 264.A O no hydrogen 2.959 N/A ARG 268.A NH1 CYS 216.A O no hydrogen 2.728 N/A TYR 269.A N TYR 265.A O no hydrogen 2.780 N/A TYR 269.A OH ASN 215.A O no hydrogen 2.593 N/A VAL 272.A N TYR 269.A O no hydrogen 2.802 N/A PHE 273.A N TYR 269.A O no hydrogen 2.652 N/A GLY 274.A N GLU 270.A O no hydrogen 2.626 N/A MET 276.A N PHE 273.A O no hydrogen 2.816 N/A ILE 277.A N PHE 273.A O no hydrogen 3.352 N/A ILE 277.A N GLY 274.A O no hydrogen 3.209 N/A GLU 279.A N MET 276.A O no hydrogen 3.003 N/A PHE 280.A N MET 276.A O no hydrogen 3.442 N/A ILE 281.A N ILE 277.A O no hydrogen 3.028 N/A GLN 282.A N ASN 278.A O no hydrogen 3.283 N/A ILE 283.A N GLU 279.A O no hydrogen 3.167 N/A THR 284.A N PHE 280.A O no hydrogen 2.777 N/A THR 284.A OG1 PHE 280.A O no hydrogen 3.004 N/A TRP 285.A N ILE 281.A O no hydrogen 2.752 N/A ASN 286.A N GLN 282.A O no hydrogen 2.818 N/A LEU 287.A N ILE 283.A O no hydrogen 2.544 N/A LEU 288.A N THR 284.A O no hydrogen 2.815 N/A THR 289.A N TRP 285.A O no hydrogen 3.072 N/A THR 289.A OG1 TRP 285.A O no hydrogen 2.602 N/A SER 290.A N ASN 286.A O no hydrogen 3.098 N/A SER 290.A N LEU 287.A O no hydrogen 3.171 N/A SER 290.A OG ASN 286.A O no hydrogen 3.095 N/A ILE 291.A N LEU 288.A O no hydrogen 3.411 N/A GLN 294.A N SER 292.A O no hydrogen 2.577 N/A LYS 296.A NZ GLN 294.A OE1 no hydrogen 2.983 N/A LYS 296.A NZ TYR 297.A OH no hydrogen 3.417 N/A VAL 301.A N TYR 297.A O no hydrogen 2.779 N/A SER 302.A N ASP 298.A O no hydrogen 3.046 N/A SER 302.A OG ILE 299.A O no hydrogen 2.832 N/A LYS 303.A N ILE 299.A O no hydrogen 2.866 N/A LYS 303.A NZ GLU 260.A OE2 no hydrogen 3.061 N/A SER 304.A N LEU 300.A O no hydrogen 2.928 N/A SER 304.A OG LEU 300.A O no hydrogen 2.923 N/A LEU 305.A N VAL 301.A O no hydrogen 3.068 N/A SER 306.A N SER 302.A O no hydrogen 2.769 N/A SER 306.A OG GLN 263.A OE1 no hydrogen 2.667 N/A SER 306.A OG SER 302.A O no hydrogen 3.144 N/A SER 306.A OG LYS 303.A O no hydrogen 2.524 N/A PHE 307.A N LYS 303.A O no hydrogen 3.061 N/A LEU 308.A N SER 304.A O no hydrogen 2.827 N/A THR 309.A N LEU 305.A O no hydrogen 2.634 N/A THR 309.A OG1 LEU 305.A O no hydrogen 3.246 N/A THR 309.A OG1 SER 306.A O no hydrogen 2.500 N/A ALA 310.A N SER 306.A O no hydrogen 2.967 N/A VAL 311.A N PHE 307.A O no hydrogen 3.040 N/A THR 312.A N LEU 308.A O no hydrogen 2.934 N/A THR 312.A OG1 LEU 308.A O no hydrogen 2.725 N/A ARG 313.A N THR 309.A O no hydrogen 3.240 N/A ARG 313.A N ALA 310.A O no hydrogen 3.169 N/A ARG 313.A NE GLU 375.A OE1 no hydrogen 3.152 N/A ARG 313.A NH2 GLU 375.A OE2 no hydrogen 3.024 N/A ILE 314.A N VAL 311.A O no hydrogen 3.038 N/A PHE 318.A N ILE 314.A O no hydrogen 2.871 N/A PHE 318.A N PRO 315.A O no hydrogen 3.148 N/A GLU 319.A N PRO 315.A O no hydrogen 3.320 N/A PHE 321.A N PHE 318.A O no hydrogen 2.995 N/A ASN 322.A N GLU 319.A O no hydrogen 3.169 N/A ASN 322.A ND2 GLU 319.A OE2 no hydrogen 2.915 N/A MET 327.A N ASN 323.A O no hydrogen 2.939 N/A ASN 328.A N SER 325.A O no hydrogen 3.162 N/A ASN 329.A N SER 325.A O no hydrogen 2.761 N/A ILE 330.A N ALA 326.A O no hydrogen 2.917 N/A THR 331.A OG1 MET 327.A O no hydrogen 2.968 N/A GLU 332.A N ASN 328.A O no hydrogen 3.136 N/A GLN 333.A N ASN 329.A O no hydrogen 2.941 N/A ILE 334.A N ILE 330.A O no hydrogen 2.696 N/A ILE 335.A N ILE 330.A O no hydrogen 3.324 N/A LEU 336.A N THR 331.A O no hydrogen 3.218 N/A VAL 339.A N ILE 335.A O no hydrogen 3.087 N/A THR 340.A OG1 LEU 336.A O no hydrogen 2.437 N/A ASP 345.A N ARG 342.A O no hydrogen 2.799 N/A VAL 346.A N GLU 343.A O no hydrogen 3.049 N/A GLU 347.A N GLU 344.A O no hydrogen 3.273 N/A PHE 349.A N VAL 346.A O no hydrogen 2.798 N/A GLU 350.A N VAL 346.A O no hydrogen 3.404 N/A ASP 352.A N LEU 348.A O no hydrogen 2.990 N/A TYR 356.A N ASP 352.A O no hydrogen 3.055 N/A ILE 357.A N PRO 353.A O no hydrogen 2.860 N/A ARG 358.A N ILE 354.A O no hydrogen 2.944 N/A ARG 358.A NE GLU 555.A OE2 no hydrogen 2.899 N/A ARG 358.A NH2 GLU 555.A OE1 no hydrogen 2.767 N/A ARG 358.A NH2 GLU 555.A OE2 no hydrogen 3.314 N/A ARG 359.A N GLU 355.A O no hydrogen 2.975 N/A ASP 360.A N TYR 356.A O no hydrogen 2.765 N/A LEU 361.A N ILE 357.A O no hydrogen 2.800 N/A GLU 362.A N ARG 358.A O no hydrogen 2.849 N/A GLY 363.A N ARG 359.A O no hydrogen 2.649 N/A ARG 365.A NE ASP 298.A OD1 no hydrogen 2.816 N/A ARG 365.A NH1 ASN 338.A OD1 no hydrogen 3.497 N/A ARG 365.A NH2 SER 292.A O no hydrogen 3.376 N/A ARG 366.A NH1 LEU 341.A O no hydrogen 3.368 N/A ARG 366.A NH2 ASP 407.A OD1 no hydrogen 3.251 N/A ALA 368.A N THR 364.A O no hydrogen 2.887 N/A CYS 369.A N ARG 365.A O no hydrogen 2.702 N/A CYS 369.A SG ILE 334.A O no hydrogen 4.022 N/A CYS 369.A SG ARG 365.A O no hydrogen 3.425 N/A THR 370.A N ARG 366.A O no hydrogen 2.948 N/A THR 370.A OG1 ARG 366.A O no hydrogen 2.553 N/A THR 370.A OG1 TYR 411.A OH no hydrogen 2.821 N/A ASP 371.A N ARG 367.A O no hydrogen 2.872 N/A PHE 372.A N ALA 368.A O no hydrogen 3.097 N/A LEU 373.A N CYS 369.A O no hydrogen 2.846 N/A LYS 374.A N THR 370.A O no hydrogen 2.944 N/A LYS 374.A NZ ASN 421.A OD1 no hydrogen 2.837 N/A GLU 375.A N ASP 371.A O no hydrogen 2.886 N/A LEU 376.A N PHE 372.A O no hydrogen 2.962 N/A LYS 377.A N LEU 373.A O no hydrogen 3.072 N/A LYS 377.A NZ LEU 416.A O no hydrogen 2.588 N/A LYS 377.A NZ ASN 419.A OD1 no hydrogen 3.295 N/A GLU 378.A N LYS 374.A O no hydrogen 2.973 N/A LYS 379.A N LEU 376.A O no hydrogen 2.795 N/A LYS 379.A NZ GLU 375.A O no hydrogen 3.500 N/A LYS 379.A NZ GLU 375.A OE1 no hydrogen 3.488 N/A ASN 380.A N LEU 376.A O no hydrogen 3.051 N/A ASN 380.A ND2 ASN 322.A OD1 no hydrogen 2.688 N/A LEU 383.A N ASN 380.A OD1 no hydrogen 3.112 N/A VAL 384.A N ASN 380.A O no hydrogen 3.298 N/A THR 385.A N GLU 381.A O no hydrogen 2.933 N/A THR 385.A OG1 GLU 381.A O no hydrogen 2.889 N/A ASN 386.A N VAL 382.A O no hydrogen 3.034 N/A ILE 387.A N LEU 383.A O no hydrogen 2.896 N/A PHE 388.A N VAL 384.A O no hydrogen 3.021 N/A PHE 388.A N THR 385.A O no hydrogen 3.012 N/A LEU 389.A N THR 385.A O no hydrogen 2.902 N/A ALA 390.A N ASN 386.A O no hydrogen 3.149 N/A HIS 391.A ND1 ILE 387.A O no hydrogen 3.339 N/A HIS 391.A NE2 GLU 332.A OE2 no hydrogen 3.317 N/A MET 392.A N PHE 388.A O no hydrogen 2.802 N/A LYS 393.A N LEU 389.A O no hydrogen 2.968 N/A GLY 394.A N HIS 391.A O no hydrogen 3.144 N/A PHE 395.A N HIS 391.A O no hydrogen 3.079 N/A VAL 396.A N MET 392.A O no hydrogen 2.828 N/A ASP 397.A N LYS 393.A O no hydrogen 3.458 N/A GLN 398.A N GLY 394.A O no hydrogen 2.955 N/A TYR 399.A N PHE 395.A O no hydrogen 3.051 N/A MET 400.A N VAL 396.A O no hydrogen 3.238 N/A SER 401.A N GLN 398.A O no hydrogen 3.212 N/A SER 401.A OG ASP 397.A O no hydrogen 3.356 N/A PHE 405.A N ASN 402.A O no hydrogen 3.194 N/A LYS 406.A N TRP 403.A O no hydrogen 2.974 N/A LYS 406.A NZ GLU 443.A O no hydrogen 2.840 N/A LYS 406.A NZ GLU 443.A OE2 no hydrogen 2.864 N/A LYS 406.A NZ ASP 447.A OD2 no hydrogen 2.740 N/A ASP 407.A N TRP 403.A O no hydrogen 3.344 N/A LEU 408.A N LYS 404.A O no hydrogen 3.183 N/A TYR 409.A N PHE 405.A O no hydrogen 3.207 N/A TYR 409.A OH GLU 443.A OE2 no hydrogen 2.474 N/A ILE 410.A N LYS 406.A O no hydrogen 3.263 N/A TYR 411.A N ASP 407.A O no hydrogen 3.091 N/A TYR 411.A OH THR 370.A OG1 no hydrogen 2.821 N/A LEU 412.A N LEU 408.A O no hydrogen 2.853 N/A PHE 413.A N TYR 409.A O no hydrogen 2.627 N/A THR 414.A N ILE 410.A O no hydrogen 2.974 N/A THR 414.A OG1 ILE 410.A O no hydrogen 2.918 N/A ALA 415.A N TYR 411.A O no hydrogen 3.056 N/A LEU 416.A N LEU 412.A O no hydrogen 2.844 N/A ALA 417.A N PHE 413.A O no hydrogen 2.832 N/A ILE 418.A N THR 414.A O no hydrogen 3.073 N/A ASN 419.A N SER 429.A O no hydrogen 3.244 N/A ASN 419.A ND2 SER 429.A OG no hydrogen 3.335 N/A THR 423.A N GLY 426.A O no hydrogen 2.927 N/A THR 423.A OG1 GLY 426.A O no hydrogen 3.538 N/A ALA 425.A N THR 423.A OG1 no hydrogen 3.019 N/A GLY 426.A N THR 423.A O no hydrogen 2.922 N/A ASN 431.A N ALA 417.A O no hydrogen 2.670 N/A ASN 431.A ND2 THR 385.A OG1 no hydrogen 2.814 N/A ASN 431.A ND2 LEU 416.A O no hydrogen 3.385 N/A LEU 433.A N ASN 431.A OD1 no hydrogen 2.636 N/A LEU 434.A N ASN 431.A O no hydrogen 2.955 N/A ASP 438.A N ASN 435.A OD1 no hydrogen 3.049 N/A PHE 439.A N ASN 435.A O no hydrogen 2.938 N/A PHE 440.A N VAL 436.A O no hydrogen 2.960 N/A THR 441.A N VAL 437.A O no hydrogen 2.811 N/A THR 441.A OG1 VAL 437.A O no hydrogen 3.060 N/A LYS 442.A N ASP 438.A O no hydrogen 2.991 N/A GLU 443.A N PHE 439.A O no hydrogen 2.802 N/A ILE 444.A N PHE 440.A O no hydrogen 2.923 N/A ALA 445.A N PHE 440.A O no hydrogen 2.952 N/A ASP 447.A N ILE 444.A O no hydrogen 2.890 N/A LEU 448.A N ALA 445.A O no hydrogen 2.940 N/A SER 450.A N PRO 446.A O no hydrogen 3.130 N/A SER 450.A OG ASN 452.A O no hydrogen 2.546 N/A LEU 458.A N HIS 455.A O no hydrogen 2.884 N/A ARG 459.A N ILE 456.A O no hydrogen 2.918 N/A ARG 459.A NH1 ASP 447.A O no hydrogen 2.572 N/A ARG 459.A NH1 SER 450.A O no hydrogen 2.919 N/A ARG 459.A NH1 SER 450.A OG no hydrogen 3.251 N/A ARG 459.A NH2 SER 450.A O no hydrogen 3.072 N/A VAL 460.A N ILE 456.A O no hydrogen 3.053 N/A ASP 461.A N ILE 457.A O no hydrogen 2.817 N/A ALA 462.A N LEU 458.A O no hydrogen 3.019 N/A ILE 463.A N ARG 459.A O no hydrogen 3.146 N/A LYS 464.A N VAL 460.A O no hydrogen 2.807 N/A LYS 464.A NZ ASP 360.A OD1 no hydrogen 2.561 N/A LYS 464.A NZ ASP 360.A OD2 no hydrogen 3.363 N/A TYR 465.A N ASP 461.A O no hydrogen 2.961 N/A TYR 465.A OH VAL 436.A O no hydrogen 2.898 N/A ILE 466.A N ALA 462.A O no hydrogen 3.384 N/A TYR 467.A N ILE 463.A O no hydrogen 2.994 N/A THR 468.A N LYS 464.A O no hydrogen 2.725 N/A THR 468.A OG1 LYS 464.A O no hydrogen 2.819 N/A PHE 469.A N TYR 465.A O no hydrogen 2.864 N/A ARG 470.A NH1 TYR 467.A O no hydrogen 2.914 N/A ASN 471.A ND2 ALA 425.A O no hydrogen 2.766 N/A ASN 471.A ND2 VAL 427.A O no hydrogen 3.120 N/A GLN 472.A N PHE 469.A O no hydrogen 2.797 N/A GLN 472.A NE2 VAL 427.A O no hydrogen 2.882 N/A THR 474.A N GLN 477.A OE1 no hydrogen 2.787 N/A LYS 475.A NZ ILE 520.A O no hydrogen 3.080 N/A LYS 475.A NZ ASP 525.A OD1 no hydrogen 3.567 N/A LYS 475.A NZ ASP 525.A OD2 no hydrogen 2.646 N/A GLN 477.A N THR 474.A OG1 no hydrogen 2.985 N/A LEU 478.A N THR 474.A O no hydrogen 2.947 N/A ILE 479.A N LYS 475.A O no hydrogen 2.708 N/A GLU 480.A N ALA 476.A O no hydrogen 3.101 N/A LEU 481.A N GLN 477.A O no hydrogen 3.193 N/A LEU 481.A N LEU 478.A O no hydrogen 2.969 N/A MET 482.A N LEU 478.A O no hydrogen 3.040 N/A MET 482.A N ILE 479.A O no hydrogen 3.316 N/A ILE 484.A N LEU 481.A O no hydrogen 3.040 N/A LEU 485.A N LEU 481.A O no hydrogen 2.863 N/A ALA 486.A N MET 482.A O no hydrogen 2.911 N/A THR 487.A N PRO 483.A O no hydrogen 3.218 N/A THR 487.A N ILE 484.A O no hydrogen 3.093 N/A THR 487.A OG1 PRO 483.A O no hydrogen 2.813 N/A PHE 488.A N ILE 484.A O no hydrogen 3.312 N/A PHE 488.A N LEU 485.A O no hydrogen 3.018 N/A LEU 489.A N ALA 486.A O no hydrogen 3.047 N/A GLN 490.A N THR 487.A O no hydrogen 3.068 N/A THR 491.A N PHE 488.A O no hydrogen 2.949 N/A TYR 494.A OH GLU 553.A OE1 no hydrogen 3.280 N/A TYR 497.A N GLU 493.A O no hydrogen 3.000 N/A TYR 497.A OH HIS 544.A NE2 no hydrogen 3.134 N/A THR 498.A N TYR 494.A O no hydrogen 3.066 N/A THR 498.A OG1 TYR 494.A O no hydrogen 2.737 N/A TYR 499.A N VAL 495.A O no hydrogen 2.885 N/A ALA 500.A N VAL 496.A O no hydrogen 3.028 N/A ALA 501.A N TYR 497.A O no hydrogen 2.993 N/A ILE 502.A N THR 498.A O no hydrogen 2.996 N/A THR 503.A N TYR 499.A O no hydrogen 2.857 N/A THR 503.A OG1 TYR 499.A O no hydrogen 2.856 N/A ILE 504.A N ALA 500.A O no hydrogen 2.966 N/A GLU 505.A N ALA 501.A O no hydrogen 2.904 N/A LYS 506.A N ILE 502.A O no hydrogen 2.895 N/A ILE 507.A N THR 503.A O no hydrogen 2.862 N/A LEU 508.A N ILE 504.A O no hydrogen 3.091 N/A THR 509.A N LYS 506.A O no hydrogen 3.099 N/A THR 509.A OG1 LYS 506.A O no hydrogen 2.956 N/A ILE 510.A N ILE 507.A O no hydrogen 3.367 N/A ARG 511.A NH1 PRO 517.A O no hydrogen 2.634 N/A GLU 512.A N ALA 518.A O no hydrogen 2.962 N/A SER 513.A OG THR 515.A OG1 no hydrogen 2.846 N/A THR 515.A N SER 513.A OG no hydrogen 3.153 N/A THR 515.A OG1 SER 513.A OG no hydrogen 2.846 N/A ILE 520.A N ILE 510.A O no hydrogen 2.762 N/A HIS 522.A N ASP 525.A OD2 no hydrogen 3.057 N/A ASP 525.A N HIS 522.A O no hydrogen 2.843 N/A ILE 526.A N LYS 523.A O no hydrogen 3.087 N/A SER 527.A N LYS 523.A O no hydrogen 2.949 N/A SER 529.A N ILE 526.A O no hydrogen 2.933 N/A SER 529.A OG ILE 526.A O no hydrogen 3.529 N/A THR 530.A OG1 ILE 526.A O no hydrogen 2.750 N/A LEU 533.A N SER 529.A O no hydrogen 2.886 N/A LEU 534.A N THR 530.A O no hydrogen 2.930 N/A LYS 535.A N GLU 531.A O no hydrogen 2.922 N/A LYS 535.A NZ GLU 531.A OE2 no hydrogen 3.187 N/A ASN 536.A N ILE 532.A O no hydrogen 3.021 N/A LEU 537.A N LEU 533.A O no hydrogen 2.859 N/A ILE 538.A N LEU 534.A O no hydrogen 2.938 N/A ALA 539.A N LYS 535.A O no hydrogen 3.092 N/A LEU 540.A N ASN 536.A O no hydrogen 3.058 N/A ILE 541.A N LEU 537.A O no hydrogen 3.061 N/A LEU 542.A N ILE 538.A O no hydrogen 2.992 N/A LYS 543.A N LEU 540.A O no hydrogen 3.280 N/A HIS 544.A NE2 TYR 497.A OH no hydrogen 3.134 N/A GLY 545.A N LEU 542.A O no hydrogen 3.210 N/A LYS 550.A N SER 547.A OG no hydrogen 3.309 N/A LYS 550.A NZ GLU 553.A OE1 no hydrogen 3.408 N/A LYS 550.A NZ GLU 553.A OE2 no hydrogen 3.461 N/A LEU 551.A N SER 547.A O no hydrogen 2.908 N/A ALA 552.A N PRO 548.A O no hydrogen 3.310 N/A GLU 553.A N LYS 550.A O no hydrogen 3.170 N/A ASN 554.A ND2 THR 498.A OG1 no hydrogen 2.953 N/A GLU 555.A N GLU 555.A OE1 no hydrogen 2.691 N/A PHE 556.A N ASN 554.A OD1 no hydrogen 3.126 N/A LEU 557.A N ASN 554.A O no hydrogen 3.240 N/A ARG 559.A N GLU 555.A O no hydrogen 2.919 N/A SER 560.A N PHE 556.A O no hydrogen 3.015 N/A SER 560.A OG ALA 501.A O no hydrogen 2.853 N/A SER 560.A OG PHE 556.A O no hydrogen 2.873 N/A ILE 561.A N LEU 557.A O no hydrogen 3.101 N/A PHE 562.A N MET 558.A O no hydrogen 2.987 N/A ARG 563.A N ARG 559.A O no hydrogen 3.031 N/A VAL 564.A N SER 560.A O no hydrogen 2.902 N/A LEU 565.A N ILE 561.A O no hydrogen 2.924 N/A GLN 566.A N PHE 562.A O no hydrogen 2.957 N/A THR 567.A N ARG 563.A O no hydrogen 2.984 N/A THR 567.A OG1 ARG 563.A O no hydrogen 3.198 N/A SER 568.A N VAL 564.A O no hydrogen 2.916 N/A SER 568.A OG VAL 564.A O no hydrogen 3.339 N/A SER 568.A OG LEU 565.A O no hydrogen 3.145 N/A GLU 569.A N LEU 565.A O no hydrogen 3.022 N/A SER 571.A N SER 568.A O no hydrogen 2.864 N/A SER 571.A OG SER 568.A O no hydrogen 2.784 N/A GLN 573.A N ASP 570.A O no hydrogen 3.445 N/A GLN 573.A NE2 TYR 613.A O no hydrogen 2.650 N/A LEU 575.A N ILE 572.A O no hydrogen 2.823 N/A PHE 576.A N GLN 573.A O no hydrogen 2.896 N/A LEU 579.A N LEU 575.A O no hydrogen 3.014 N/A LEU 580.A N PHE 576.A O no hydrogen 2.898 N/A ALA 581.A N PRO 577.A O no hydrogen 2.989 N/A GLN 582.A N GLN 578.A O no hydrogen 3.084 N/A GLN 582.A NE2 GLN 578.A O no hydrogen 3.378 N/A PHE 583.A N LEU 579.A O no hydrogen 2.946 N/A ILE 584.A N LEU 580.A O no hydrogen 2.868 N/A GLU 585.A N ALA 581.A O no hydrogen 3.045 N/A ILE 586.A N GLN 582.A O no hydrogen 3.073 N/A VAL 587.A N PHE 583.A O no hydrogen 2.913 N/A THR 588.A N ILE 584.A O no hydrogen 2.931 N/A THR 588.A OG1 ILE 584.A O no hydrogen 2.804 N/A ILE 589.A N GLU 585.A O no hydrogen 2.971 N/A MET 590.A N ILE 586.A O no hydrogen 2.888 N/A ALA 591.A N VAL 587.A O no hydrogen 2.901 N/A LYS 592.A N ILE 589.A O no hydrogen 3.258 N/A ASN 593.A N MET 590.A O no hydrogen 2.791 N/A ASN 593.A ND2 GLU 549.A OE2 no hydrogen 2.642 N/A ASN 596.A ND2 ALA 552.A O no hydrogen 2.961 N/A ASN 596.A ND2 GLU 553.A O no hydrogen 3.252 N/A ASN 596.A ND2 GLU 555.A OE1 no hydrogen 2.786 N/A ARG 598.A N ASN 596.A OD1 no hydrogen 2.994 N/A ARG 598.A NE GLU 555.A OE2 no hydrogen 3.346 N/A PHE 599.A N ASN 596.A OD1 no hydrogen 3.170 N/A THR 600.A N ASN 596.A O no hydrogen 2.911 N/A THR 600.A OG1 ASN 596.A O no hydrogen 3.120 N/A HIS 601.A N PRO 597.A O no hydrogen 2.945 N/A HIS 601.A ND1 TYR 644.A OH no hydrogen 2.576 N/A HIS 601.A NE2 GLU 605.A OE2 no hydrogen 3.022 N/A TYR 602.A N ARG 598.A O no hydrogen 3.103 N/A THR 603.A N PHE 599.A O no hydrogen 3.045 N/A THR 603.A N THR 600.A O no hydrogen 3.147 N/A THR 603.A OG1 PHE 599.A O no hydrogen 3.007 N/A PHE 604.A N THR 600.A O no hydrogen 3.244 N/A GLU 605.A N HIS 601.A O no hydrogen 2.859 N/A SER 606.A N TYR 602.A O no hydrogen 2.948 N/A SER 606.A OG TYR 602.A O no hydrogen 2.859 N/A ILE 607.A N THR 603.A O no hydrogen 3.127 N/A GLY 608.A N PHE 604.A O no hydrogen 2.829 N/A ALA 609.A N GLU 605.A O no hydrogen 2.915 N/A ILE 610.A N SER 606.A O no hydrogen 3.179 N/A LEU 611.A N ILE 607.A O no hydrogen 3.146 N/A ASN 612.A N GLY 608.A O no hydrogen 2.840 N/A TYR 613.A N ALA 609.A O no hydrogen 3.036 N/A TYR 613.A N ILE 610.A O no hydrogen 3.216 N/A THR 614.A N LEU 611.A O no hydrogen 3.278 N/A THR 614.A OG1 ILE 610.A O no hydrogen 2.768 N/A GLN 615.A NE2 GLN 573.A OE1 no hydrogen 3.080 N/A GLN 617.A N GLN 617.A OE1 no hydrogen 2.952 N/A GLN 617.A NE2 GLN 615.A OE1 no hydrogen 2.941 N/A ASN 618.A N GLN 615.A O no hydrogen 2.678 N/A LEU 619.A N ARG 616.A O no hydrogen 2.844 N/A VAL 623.A N LEU 619.A O no hydrogen 2.768 N/A ASP 624.A N PRO 620.A O no hydrogen 2.915 N/A SER 625.A N LEU 621.A O no hydrogen 3.389 N/A SER 625.A OG LEU 622.A O no hydrogen 2.804 N/A MET 626.A N VAL 623.A O no hydrogen 2.948 N/A MET 627.A N VAL 623.A O no hydrogen 2.986 N/A PHE 630.A N MET 626.A O no hydrogen 3.057 N/A LEU 631.A N MET 627.A O no hydrogen 2.785 N/A THR 632.A N PRO 628.A O no hydrogen 3.144 N/A THR 632.A OG1 PRO 628.A O no hydrogen 2.989 N/A VAL 633.A N THR 629.A O no hydrogen 2.947 N/A VAL 633.A N PHE 630.A O no hydrogen 2.966 N/A PHE 634.A N PHE 630.A O no hydrogen 3.166 N/A SER 635.A N LEU 631.A O no hydrogen 2.926 N/A SER 635.A OG LEU 631.A O no hydrogen 3.314 N/A SER 635.A OG THR 632.A O no hydrogen 3.473 N/A GLU 636.A N THR 632.A O no hydrogen 2.962 N/A ASP 637.A N PHE 634.A O no hydrogen 2.887 N/A ILE 638.A N VAL 633.A O no hydrogen 2.989 N/A GLU 640.A N GLU 640.A OE1 no hydrogen 2.738 N/A PHE 641.A N ILE 638.A O no hydrogen 3.024 N/A ILE 642.A N ILE 638.A O no hydrogen 3.225 N/A ILE 642.A N GLN 639.A O no hydrogen 3.316 N/A TYR 644.A OH HIS 601.A ND1 no hydrogen 2.576 N/A VAL 645.A N PHE 641.A O no hydrogen 2.859 N/A PHE 646.A N ILE 642.A O no hydrogen 2.960 N/A GLN 647.A N PRO 643.A O no hydrogen 3.258 N/A GLN 647.A NE2 PRO 643.A O no hydrogen 3.207 N/A GLN 647.A NE2 SER 875.A O no hydrogen 2.847 N/A ILE 648.A N TYR 644.A O no hydrogen 2.984 N/A ILE 649.A N VAL 645.A O no hydrogen 2.942 N/A ALA 650.A N PHE 646.A O no hydrogen 2.975 N/A PHE 651.A N GLN 647.A O no hydrogen 2.972 N/A VAL 652.A N ILE 648.A O no hydrogen 3.196 N/A VAL 653.A N ILE 649.A O no hydrogen 3.052 N/A GLU 654.A N ALA 650.A O no hydrogen 2.796 N/A GLN 655.A N PHE 651.A O no hydrogen 2.904 N/A SER 656.A N VAL 653.A O no hydrogen 3.181 N/A SER 656.A OG VAL 652.A O no hydrogen 2.973 N/A SER 662.A OG ASP 624.A OD1 no hydrogen 3.316 N/A ILE 663.A N PRO 660.A O no hydrogen 2.973 N/A LYS 664.A N PRO 660.A O no hydrogen 3.203 N/A LYS 664.A NZ GLU 661.A OE2 no hydrogen 2.872 N/A LEU 666.A N ILE 663.A O no hydrogen 3.011 N/A ALA 667.A N LYS 664.A O no hydrogen 3.067 N/A LEU 670.A N LEU 666.A O no hydrogen 2.876 N/A LEU 671.A N GLN 668.A O no hydrogen 3.022 N/A ALA 672.A N PRO 669.A O no hydrogen 3.118 N/A VAL 675.A N ALA 672.A O no hydrogen 2.953 N/A TRP 676.A N PRO 673.A O no hydrogen 2.962 N/A TRP 676.A NE1 LEU 670.A O no hydrogen 2.934 N/A GLY 680.A N GLY 871.A O no hydrogen 2.907 N/A ASN 681.A N LEU 678.A O no hydrogen 2.993 N/A ILE 682.A N LEU 678.A O no hydrogen 3.342 N/A VAL 685.A N ASN 681.A O no hydrogen 2.889 N/A THR 686.A N ILE 682.A O no hydrogen 3.004 N/A THR 686.A OG1 ILE 682.A O no hydrogen 2.828 N/A ARG 687.A N PRO 683.A O no hydrogen 3.395 N/A ARG 687.A NE GLU 654.A OE2 no hydrogen 2.649 N/A ARG 687.A NH1 ILE 880.A O no hydrogen 3.063 N/A ARG 687.A NH2 GLU 654.A OE1 no hydrogen 2.719 N/A ARG 687.A NH2 GLU 654.A OE2 no hydrogen 3.434 N/A ARG 687.A NH2 ILE 880.A O no hydrogen 2.826 N/A LEU 688.A N ALA 684.A O no hydrogen 3.063 N/A LEU 689.A N VAL 685.A O no hydrogen 2.840 N/A LYS 690.A N THR 686.A O no hydrogen 2.911 N/A LYS 690.A NZ ASP 725.A OD1 no hydrogen 2.715 N/A LYS 690.A NZ ASP 725.A OD2 no hydrogen 2.933 N/A SER 691.A N ARG 687.A O no hydrogen 2.967 N/A SER 691.A OG LEU 688.A O no hydrogen 2.682 N/A PHE 692.A N LEU 688.A O no hydrogen 3.054 N/A ILE 693.A N LEU 689.A O no hydrogen 3.031 N/A LYS 694.A N LYS 690.A O no hydrogen 3.020 N/A THR 695.A N SER 691.A O no hydrogen 2.828 N/A THR 695.A OG1 VAL 653.A O no hydrogen 2.720 N/A THR 695.A OG1 SER 691.A O no hydrogen 3.329 N/A ASP 696.A N PHE 692.A O no hydrogen 2.852 N/A SER 698.A N ASP 696.A OD1 no hydrogen 3.180 N/A SER 698.A OG ASP 696.A OD1 no hydrogen 2.361 N/A ILE 699.A N ASP 696.A O no hydrogen 2.971 N/A PHE 700.A N SER 697.A O no hydrogen 3.015 N/A VAL 704.A N ASP 702.A OD1 no hydrogen 3.268 N/A LEU 707.A N LEU 703.A O no hydrogen 2.897 N/A GLY 708.A N VAL 704.A O no hydrogen 2.866 N/A ILE 709.A N PRO 705.A O no hydrogen 3.155 N/A PHE 710.A N VAL 706.A O no hydrogen 3.105 N/A GLN 711.A N LEU 707.A O no hydrogen 2.827 N/A ARG 712.A N GLY 708.A O no hydrogen 3.104 N/A ARG 712.A NE TRP 676.A O no hydrogen 3.368 N/A ARG 712.A NH1 ARG 712.A O no hydrogen 3.067 N/A LEU 713.A N ILE 709.A O no hydrogen 3.006 N/A ILE 714.A N PHE 710.A O no hydrogen 2.838 N/A ALA 715.A N GLN 711.A O no hydrogen 3.037 N/A SER 716.A N LEU 713.A O no hydrogen 3.167 N/A TYR 719.A N SER 716.A OG no hydrogen 2.774 N/A HIS 722.A N TYR 719.A O no hydrogen 2.926 N/A GLY 723.A N TYR 719.A O no hydrogen 3.273 N/A PHE 724.A N GLU 720.A O no hydrogen 3.031 N/A ASP 725.A N VAL 721.A O no hydrogen 3.071 N/A LEU 726.A N HIS 722.A O no hydrogen 2.877 N/A LEU 727.A N GLY 723.A O no hydrogen 2.928 N/A GLU 728.A N PHE 724.A O no hydrogen 2.963 N/A HIS 729.A ND1 LYS 690.A O no hydrogen 3.161 N/A ILE 730.A N LEU 726.A O no hydrogen 2.943 N/A MET 731.A N LEU 727.A O no hydrogen 2.916 N/A LEU 732.A N GLU 728.A O no hydrogen 3.026 N/A LEU 733.A N HIS 729.A O no hydrogen 2.937 N/A ILE 734.A N ILE 730.A O no hydrogen 3.277 N/A ARG 738.A N ASP 735.A O no hydrogen 2.881 N/A ARG 738.A NH1 SER 697.A O no hydrogen 3.120 N/A ARG 738.A NH1 PHE 700.A O no hydrogen 2.993 N/A ARG 738.A NH2 PHE 700.A O no hydrogen 2.360 N/A LEU 739.A N ASP 735.A O no hydrogen 3.100 N/A ARG 740.A N MET 736.A O no hydrogen 2.851 N/A ARG 740.A NH1 ARG 740.A O no hydrogen 3.051 N/A TYR 742.A N LEU 739.A O no hydrogen 2.877 N/A ILE 743.A N ARG 740.A O no hydrogen 3.491 N/A ILE 746.A N TYR 742.A O no hydrogen 2.929 N/A ALA 747.A N ILE 743.A O no hydrogen 3.137 N/A VAL 748.A N LYS 744.A O no hydrogen 2.919 N/A LEU 749.A N GLN 745.A O no hydrogen 2.952 N/A LEU 750.A N ILE 746.A O no hydrogen 3.051 N/A LEU 751.A N ALA 747.A O no hydrogen 3.060 N/A LEU 751.A N VAL 748.A O no hydrogen 3.203 N/A GLN 752.A N VAL 748.A O no hydrogen 2.936 N/A ARG 753.A NE SER 757.A O no hydrogen 3.208 N/A ARG 753.A NH1 ILE 714.A O no hydrogen 2.768 N/A ARG 753.A NH1 GLU 720.A OE1 no hydrogen 3.167 N/A ARG 753.A NH2 GLU 720.A OE1 no hydrogen 3.146 N/A ARG 753.A NH2 SER 757.A O no hydrogen 2.757 N/A LEU 754.A N LEU 751.A O no hydrogen 3.118 N/A GLN 755.A N GLN 752.A O no hydrogen 3.268 N/A ASN 756.A ND2 GLN 752.A O no hydrogen 3.530 N/A THR 759.A OG1 GLU 720.A OE1 no hydrogen 3.419 N/A THR 759.A OG1 GLU 720.A OE2 no hydrogen 3.294 N/A ARG 761.A NE GLU 720.A OE2 no hydrogen 2.601 N/A ARG 761.A NH1 TYR 863.A O no hydrogen 3.072 N/A ARG 761.A NH2 LYS 717.A O no hydrogen 2.602 N/A ARG 761.A NH2 GLU 720.A OE2 no hydrogen 3.139 N/A TYR 762.A N THR 759.A OG1 no hydrogen 3.040 N/A TYR 762.A OH LEU 750.A O no hydrogen 2.241 N/A VAL 763.A N THR 759.A O no hydrogen 3.142 N/A LYS 764.A N GLU 760.A O no hydrogen 3.001 N/A LYS 764.A NZ GLU 760.A OE2 no hydrogen 3.492 N/A LYS 764.A NZ THR 808.A O no hydrogen 3.345 N/A LYS 765.A N ARG 761.A O no hydrogen 2.846 N/A LYS 765.A NZ ASP 814.A OD2 no hydrogen 3.132 N/A LEU 766.A N TYR 762.A O no hydrogen 2.823 N/A THR 767.A N VAL 763.A O no hydrogen 2.995 N/A THR 767.A OG1 VAL 763.A O no hydrogen 2.845 N/A VAL 768.A N LYS 764.A O no hydrogen 2.971 N/A PHE 769.A N LYS 765.A O no hydrogen 2.805 N/A PHE 770.A N LEU 766.A O no hydrogen 2.835 N/A GLY 771.A N THR 767.A O no hydrogen 3.126 N/A LEU 772.A N VAL 768.A O no hydrogen 2.857 N/A ILE 773.A N PHE 769.A O no hydrogen 2.920 N/A SER 774.A N PHE 770.A O no hydrogen 2.871 N/A SER 774.A OG GLY 821.A O no hydrogen 2.843 N/A ASN 775.A N GLY 771.A O no hydrogen 2.892 N/A ASN 775.A ND2 ILE 817.A O no hydrogen 3.087 N/A LYS 776.A N LEU 772.A O no hydrogen 3.030 N/A LYS 776.A N ILE 773.A O no hydrogen 3.235 N/A LEU 777.A N ILE 773.A O no hydrogen 2.751 N/A GLY 778.A N ILE 773.A O no hydrogen 3.162 N/A GLY 778.A N SER 774.A O no hydrogen 3.123 N/A SER 779.A OG ASN 828.A O no hydrogen 2.964 N/A LEU 782.A N GLY 778.A O no hydrogen 3.331 N/A ILE 783.A N SER 779.A O no hydrogen 3.166 N/A HIS 784.A N ASP 780.A O no hydrogen 3.063 N/A PHE 785.A N PHE 781.A O no hydrogen 2.716 N/A ILE 786.A N LEU 782.A O no hydrogen 3.072 N/A ASP 787.A N ILE 783.A O no hydrogen 2.897 N/A GLU 788.A N HIS 784.A O no hydrogen 2.929 N/A VAL 789.A N ILE 786.A O no hydrogen 2.986 N/A GLY 792.A N ASP 787.A OD1 no hydrogen 2.922 N/A LEU 793.A N GLN 790.A O no hydrogen 2.761 N/A PHE 794.A N ASP 787.A OD1 no hydrogen 3.087 N/A GLN 795.A NE2 GLY 792.A O no hydrogen 2.765 N/A GLN 796.A N GLY 792.A O no hydrogen 3.324 N/A ILE 797.A N LEU 793.A O no hydrogen 2.965 N/A TRP 798.A N PHE 794.A O no hydrogen 2.926 N/A TRP 798.A NE1 THR 843.A OG1 no hydrogen 2.889 N/A GLY 799.A N GLN 795.A O no hydrogen 2.980 N/A ASN 800.A N GLN 796.A O no hydrogen 2.972 N/A PHE 801.A N ILE 797.A O no hydrogen 2.784 N/A ILE 802.A N ILE 797.A O no hydrogen 3.161 N/A ILE 803.A N TRP 798.A O no hydrogen 3.159 N/A THR 804.A OG1 ASN 800.A O no hydrogen 2.736 N/A THR 804.A OG1 PHE 801.A O no hydrogen 3.093 N/A THR 805.A N PHE 801.A O no hydrogen 3.033 N/A THR 805.A OG1 PHE 801.A O no hydrogen 2.641 N/A LEU 806.A N ILE 802.A O no hydrogen 3.077 N/A THR 808.A N THR 805.A O no hydrogen 2.770 N/A THR 808.A OG1 THR 805.A O no hydrogen 2.708 N/A ILE 809.A N LEU 806.A O no hydrogen 3.320 N/A ASN 811.A ND2 ASN 861.A O no hydrogen 3.358 N/A ASP 814.A N ASN 811.A OD1 no hydrogen 2.996 N/A ARG 815.A N ASN 811.A O no hydrogen 2.825 N/A ARG 815.A NE GLN 854.A OE1 no hydrogen 2.609 N/A ARG 815.A NH1 PRO 807.A O no hydrogen 3.417 N/A ARG 815.A NH1 ILE 809.A O no hydrogen 2.965 N/A ARG 815.A NH2 THR 850.A O no hydrogen 2.610 N/A LYS 816.A N LEU 812.A O no hydrogen 3.144 N/A LYS 816.A NZ ASP 886.A OD1 no hydrogen 3.222 N/A LYS 816.A NZ ASP 886.A OD2 no hydrogen 2.606 N/A LYS 816.A NZ LEU 888.A O no hydrogen 2.740 N/A LYS 816.A NZ ILE 891.A O no hydrogen 2.655 N/A ILE 817.A N LEU 813.A O no hydrogen 3.018 N/A ALA 818.A N ASP 814.A O no hydrogen 2.888 N/A LEU 819.A N ARG 815.A O no hydrogen 2.814 N/A ILE 820.A N LYS 816.A O no hydrogen 3.007 N/A GLY 821.A N ILE 817.A O no hydrogen 2.909 N/A VAL 822.A N ALA 818.A O no hydrogen 2.810 N/A LEU 823.A N LEU 819.A O no hydrogen 2.897 N/A ASN 824.A N ILE 820.A O no hydrogen 2.821 N/A ASN 824.A ND2 SER 774.A OG no hydrogen 2.952 N/A MET 825.A N VAL 822.A O no hydrogen 3.102 N/A ILE 827.A N LEU 823.A O no hydrogen 3.010 N/A ASN 828.A N ASN 824.A O no hydrogen 2.887 N/A ASN 828.A ND2 ASN 824.A OD1 no hydrogen 3.220 N/A GLN 833.A N GLY 829.A O no hydrogen 2.989 N/A GLN 833.A NE2 VAL 826.A O no hydrogen 2.615 N/A SER 834.A N GLN 830.A O no hydrogen 3.000 N/A SER 834.A OG GLN 830.A O no hydrogen 3.302 N/A SER 834.A OG PHE 831.A O no hydrogen 3.161 N/A LYS 835.A N PHE 831.A O no hydrogen 2.832 N/A LYS 835.A NZ ASP 787.A OD2 no hydrogen 3.341 N/A LYS 835.A NZ TYR 836.A OH no hydrogen 3.021 N/A TYR 836.A N PHE 832.A O no hydrogen 2.936 N/A LEU 839.A N TYR 836.A O no hydrogen 3.000 N/A ILE 840.A N PRO 837.A O no hydrogen 3.492 N/A SER 841.A OG GLN 923.A OE1 no hydrogen 2.648 N/A SER 842.A OG LEU 839.A O no hydrogen 3.364 N/A THR 843.A N LEU 839.A O no hydrogen 3.066 N/A THR 843.A OG1 LEU 839.A O no hydrogen 2.761 N/A MET 844.A N ILE 840.A O no hydrogen 2.872 N/A ASN 845.A N SER 841.A O no hydrogen 2.916 N/A SER 846.A N SER 842.A O no hydrogen 3.111 N/A SER 846.A OG ILE 803.A O no hydrogen 2.651 N/A ILE 847.A N THR 843.A O no hydrogen 2.861 N/A ILE 848.A N MET 844.A O no hydrogen 2.850 N/A GLU 849.A N ASN 845.A O no hydrogen 3.047 N/A THR 850.A N SER 846.A O no hydrogen 2.972 N/A THR 850.A OG1 SER 846.A O no hydrogen 2.749 N/A ALA 851.A N ILE 847.A O no hydrogen 2.819 N/A SER 852.A N ILE 848.A O no hydrogen 2.963 N/A SER 852.A OG ILE 848.A O no hydrogen 2.507 N/A SER 852.A OG GLU 849.A O no hydrogen 3.355 N/A SER 853.A N GLU 849.A O no hydrogen 3.197 N/A SER 853.A OG GLU 849.A O no hydrogen 2.645 N/A ASN 858.A N SER 855.A O no hydrogen 3.344 N/A LEU 859.A N ALA 857.A O no hydrogen 2.500 N/A LYS 860.A NZ ASP 862.A O no hydrogen 3.465 N/A TYR 863.A OH ASP 814.A OD2 no hydrogen 2.630 N/A VAL 864.A N ASP 862.A OD1 no hydrogen 2.709 N/A SER 868.A OG HIS 873.A NE2 no hydrogen 3.137 N/A THR 869.A N SER 872.A OG no hydrogen 3.323 N/A SER 872.A N THR 869.A O no hydrogen 3.072 N/A SER 872.A OG THR 869.A O no hydrogen 2.876 N/A HIS 873.A NE2 SER 868.A OG no hydrogen 3.137 N/A LEU 877.A N GLN 647.A OE1 no hydrogen 2.963 N/A VAL 878.A N GLU 605.A OE2 no hydrogen 2.784 N/A SER 879.A N GLU 605.A OE1 no hydrogen 2.788 N/A SER 879.A OG GLU 605.A O no hydrogen 3.106 N/A SER 879.A OG GLU 605.A OE1 no hydrogen 3.058 N/A ILE 880.A N LEU 877.A O no hydrogen 3.232 N/A SER 881.A N VAL 878.A O no hydrogen 3.299 N/A SER 881.A OG VAL 878.A O no hydrogen 3.226 N/A LEU 888.A N ASP 886.A OD1 no hydrogen 2.729 N/A ILE 891.A N LEU 888.A O no hydrogen 3.066 N/A ASN 894.A ND2 ASP 892.A OD2 no hydrogen 3.265 N/A ASN 895.A N ASP 892.A OD2 no hydrogen 3.172 N/A LEU 899.A N ASN 895.A O no hydrogen 3.418 N/A TYR 900.A N GLY 896.A O no hydrogen 2.797 N/A VAL 901.A N VAL 897.A O no hydrogen 2.889 N/A ALA 902.A N ARG 898.A O no hydrogen 3.107 N/A GLU 903.A N LEU 899.A O no hydrogen 2.894 N/A ALA 904.A N TYR 900.A O no hydrogen 2.812 N/A LEU 905.A N VAL 901.A O no hydrogen 2.857 N/A ASN 906.A N ALA 902.A O no hydrogen 3.003 N/A LYS 907.A N GLU 903.A O no hydrogen 2.987 N/A TYR 908.A N ALA 904.A O no hydrogen 2.933 N/A ASN 909.A N LEU 905.A O no hydrogen 2.997 N/A ASN 909.A ND2 ASN 914.A OD1 no hydrogen 2.927 N/A ALA 910.A N ASN 906.A O no hydrogen 2.872 N/A ILE 911.A N LYS 907.A O no hydrogen 2.781 N/A SER 912.A N TYR 908.A O no hydrogen 2.952 N/A SER 912.A N ASN 909.A O no hydrogen 3.068 N/A SER 912.A OG ASN 909.A O no hydrogen 2.707 N/A GLY 913.A N ALA 910.A O no hydrogen 3.096 N/A ASN 914.A N ASN 909.A O no hydrogen 3.011 N/A THR 915.A N SER 912.A OG no hydrogen 3.162 N/A THR 915.A OG1 SER 912.A O no hydrogen 3.085 N/A PHE 916.A N SER 912.A OG no hydrogen 3.032 N/A LEU 917.A N ASN 909.A OD1 no hydrogen 2.905 N/A THR 919.A N THR 915.A O no hydrogen 3.019 N/A THR 919.A OG1 THR 915.A O no hydrogen 2.602 N/A ILE 920.A N PHE 916.A O no hydrogen 2.920 N/A LEU 921.A N LEU 917.A O no hydrogen 2.908 N/A GLN 923.A N ILE 920.A O no hydrogen 2.841 N/A GLN 923.A NE2 THR 919.A O no hydrogen 2.831 N/A LEU 924.A N LEU 921.A O no hydrogen 3.086 N/A THR 925.A N ASN 845.A OD1 no hydrogen 3.104 N/A ASN 928.A N THR 925.A OG1 no hydrogen 3.092 N/A ASN 928.A ND2 ASN 845.A OD1 no hydrogen 2.736 N/A GLN 929.A N THR 925.A O no hydrogen 2.913 N/A GLN 929.A NE2 LEU 924.A O no hydrogen 2.770 N/A VAL 930.A N GLN 926.A O no hydrogen 3.341 N/A LYS 931.A N GLU 927.A O no hydrogen 3.050 N/A LEU 932.A N ASN 928.A O no hydrogen 2.747 N/A ASN 933.A N VAL 930.A O no hydrogen 3.023 N/A GLN 934.A N VAL 930.A O no hydrogen 3.108 N/A LEU 935.A N LYS 931.A O no hydrogen 3.043 N/A LEU 936.A N LEU 932.A O no hydrogen 2.949 N/A VAL 937.A N ASN 933.A O no hydrogen 2.802 N/A GLY 938.A N GLN 934.A O no hydrogen 3.376 N/A