Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1r1j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A N LEU 620.A O no hydrogen 2.870 N/A CYS 3.A SG SER 5.A OG no hydrogen 3.504 N/A CYS 8.A N SER 5.A O no hydrogen 2.662 N/A CYS 8.A N SER 5.A OG no hydrogen 2.839 N/A ILE 9.A N SER 5.A O no hydrogen 2.951 N/A LYS 10.A N SER 6.A O no hydrogen 3.024 N/A SER 11.A OG ASP 7.A O no hydrogen 2.957 N/A SER 11.A OG CYS 8.A O no hydrogen 3.308 N/A ALA 12.A N CYS 8.A O no hydrogen 3.053 N/A ALA 13.A N ILE 9.A O no hydrogen 3.062 N/A ARG 14.A N LYS 10.A O no hydrogen 3.181 N/A ARG 14.A NH1 GLN 638.A OE1 no hydrogen 2.843 N/A LEU 15.A N SER 11.A O no hydrogen 2.772 N/A ILE 16.A N ALA 12.A O no hydrogen 2.780 N/A GLN 17.A N ALA 13.A O no hydrogen 3.094 N/A ASN 18.A N ARG 14.A O no hydrogen 3.155 N/A ASN 18.A N LEU 15.A O no hydrogen 3.293 N/A ASN 18.A ND2 GLN 638.A OE1 no hydrogen 3.165 N/A MET 19.A N LEU 15.A O no hydrogen 3.199 N/A ASP 20.A N TYR 32.A O no hydrogen 2.736 N/A THR 22.A N ASP 20.A OD1 no hydrogen 2.812 N/A THR 22.A OG1 ASP 20.A OD1 no hydrogen 2.020 N/A THR 22.A OG1 ASP 20.A OD2 no hydrogen 2.265 N/A THR 23.A N ASP 20.A O no hydrogen 3.148 N/A THR 23.A OG1 ASP 20.A OD2 no hydrogen 3.436 N/A CYS 26.A N GLU 24.A OE1 no hydrogen 3.106 N/A CYS 26.A SG GLU 24.A OE1 no hydrogen 3.349 N/A CYS 26.A SG PHE 679.A O no hydrogen 3.442 N/A THR 27.A N GLU 24.A O no hydrogen 2.747 N/A ASP 28.A N GLU 24.A O no hydrogen 3.200 N/A LYS 31.A N ASP 28.A OD1 no hydrogen 3.058 N/A TYR 32.A N ASP 28.A O no hydrogen 3.049 N/A ALA 33.A N PHE 29.A O no hydrogen 2.849 N/A CYS 34.A SG ALA 637.A O no hydrogen 3.858 N/A GLY 35.A N LYS 31.A O no hydrogen 2.756 N/A TRP 37.A N ASN 18.A O no hydrogen 3.040 N/A LEU 38.A N CYS 34.A O no hydrogen 2.936 N/A LYS 39.A N GLY 35.A O no hydrogen 3.222 N/A ARG 40.A N GLY 36.A O no hydrogen 3.353 N/A ARG 40.A N TRP 37.A O no hydrogen 3.258 N/A SER 47.A N PRO 44.A O no hydrogen 3.188 N/A ARG 49.A NE ASP 54.A OD1 no hydrogen 3.229 N/A ARG 49.A NE ASP 54.A OD2 no hydrogen 2.715 N/A ARG 49.A NH2 ASP 54.A OD1 no hydrogen 2.798 N/A TYR 50.A N THR 643.A O no hydrogen 3.175 N/A ASN 52.A N CYS 641.A O no hydrogen 2.965 N/A ASN 52.A ND2 VAL 639.A O no hydrogen 3.369 N/A ILE 55.A N GLY 51.A O no hydrogen 2.772 N/A LEU 56.A N ASN 52.A O no hydrogen 2.935 N/A ARG 57.A N PHE 53.A O no hydrogen 3.089 N/A ARG 57.A NE VAL 488.A O no hydrogen 3.338 N/A ARG 57.A NH2 VAL 488.A O no hydrogen 2.925 N/A ASP 58.A N ASP 54.A O no hydrogen 2.994 N/A GLU 59.A N ILE 55.A O no hydrogen 2.964 N/A LEU 60.A N LEU 56.A O no hydrogen 2.919 N/A GLU 61.A N ARG 57.A O no hydrogen 3.120 N/A VAL 62.A N GLU 59.A O no hydrogen 3.064 N/A VAL 63.A N GLU 59.A O no hydrogen 3.503 N/A LEU 64.A N LEU 60.A O no hydrogen 3.122 N/A LYS 65.A N GLU 61.A O no hydrogen 2.850 N/A ASP 66.A N VAL 62.A O no hydrogen 2.963 N/A VAL 67.A N VAL 63.A O no hydrogen 2.910 N/A VAL 67.A N LEU 64.A O no hydrogen 3.056 N/A LEU 68.A N LEU 64.A O no hydrogen 2.922 N/A LEU 68.A N LYS 65.A O no hydrogen 3.347 N/A LYS 72.A N ASP 75.A OD2 no hydrogen 2.836 N/A ASP 75.A N LYS 72.A O no hydrogen 3.085 N/A ALA 78.A N ASN 440.A OD1 no hydrogen 2.781 N/A VAL 79.A N ILE 76.A O no hydrogen 2.796 N/A GLN 80.A N ILE 76.A O no hydrogen 3.008 N/A LYS 81.A N VAL 77.A O no hydrogen 2.897 N/A LYS 81.A NZ TYR 443.A O no hydrogen 2.900 N/A LYS 81.A NZ LEU 446.A O no hydrogen 2.449 N/A ALA 82.A N ALA 78.A O no hydrogen 3.394 N/A LYS 83.A N VAL 79.A O no hydrogen 3.022 N/A LYS 83.A NZ GLU 70.A O no hydrogen 2.807 N/A LYS 83.A NZ ASP 75.A OD1 no hydrogen 3.419 N/A LYS 83.A NZ ASP 75.A OD2 no hydrogen 2.673 N/A ALA 84.A N GLN 80.A O no hydrogen 3.008 N/A LEU 85.A N LYS 81.A O no hydrogen 3.025 N/A TYR 86.A N ALA 82.A O no hydrogen 2.834 N/A ARG 87.A N LYS 83.A O no hydrogen 2.869 N/A ARG 87.A NE GLU 450.A OE2 no hydrogen 2.391 N/A ARG 87.A NH2 GLU 450.A OE1 no hydrogen 2.660 N/A ARG 87.A NH2 GLU 450.A OE2 no hydrogen 2.869 N/A SER 88.A N ALA 84.A O no hydrogen 2.867 N/A SER 88.A OG LEU 85.A O no hydrogen 2.782 N/A SER 88.A OG ASN 456.A OD1 no hydrogen 3.177 N/A CYS 89.A N LEU 85.A O no hydrogen 3.006 N/A CYS 89.A N TYR 86.A O no hydrogen 2.895 N/A ILE 90.A N TYR 86.A O no hydrogen 3.016 N/A ASN 91.A N ARG 87.A O no hydrogen 3.312 N/A ALA 94.A N ASN 91.A OD1 no hydrogen 3.099 N/A ILE 95.A N ASN 91.A O no hydrogen 3.269 N/A ASP 96.A N GLU 92.A O no hydrogen 2.635 N/A SER 97.A N SER 93.A O no hydrogen 2.941 N/A ARG 98.A N ILE 95.A O no hydrogen 2.963 N/A ARG 98.A NH1 ALA 94.A O no hydrogen 3.098 N/A GLY 99.A N ASP 96.A O no hydrogen 3.112 N/A GLY 100.A N GLU 205.A OE2 no hydrogen 2.861 N/A GLU 101.A N ARG 98.A O no hydrogen 3.103 N/A LEU 103.A N GLY 100.A O no hydrogen 2.600 N/A LEU 104.A N GLY 100.A O no hydrogen 3.091 N/A LYS 105.A N GLU 101.A O no hydrogen 3.054 N/A LEU 106.A N LEU 103.A O no hydrogen 2.827 N/A LEU 107.A N LEU 103.A O no hydrogen 3.073 N/A ASP 109.A N LEU 106.A O no hydrogen 2.716 N/A ILE 110.A N LEU 107.A O no hydrogen 2.936 N/A GLY 112.A N LEU 107.A O no hydrogen 3.015 N/A TRP 113.A NE1 ASN 315.A O no hydrogen 3.036 N/A ALA 116.A N TRP 113.A O no hydrogen 2.733 N/A THR 117.A N PRO 114.A O no hydrogen 2.771 N/A THR 117.A OG1 TRP 113.A O no hydrogen 2.931 N/A TRP 120.A NE1 TYR 111.A O no hydrogen 2.686 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 2.689 N/A LYS 123.A N ASN 119.A O no hydrogen 2.942 N/A TYR 124.A N TRP 120.A O no hydrogen 2.816 N/A GLY 125.A N TRP 120.A O no hydrogen 3.022 N/A SER 127.A N TYR 124.A O no hydrogen 3.127 N/A SER 127.A OG TYR 124.A O no hydrogen 3.145 N/A TRP 128.A N TYR 124.A O no hydrogen 2.838 N/A TRP 128.A NE1 GLN 314.A OE1 no hydrogen 2.587 N/A LYS 132.A NZ SER 127.A O no hydrogen 3.259 N/A ALA 133.A N THR 129.A O no hydrogen 2.924 N/A ILE 134.A N ALA 130.A O no hydrogen 2.932 N/A ALA 135.A N GLU 131.A O no hydrogen 3.178 N/A GLN 136.A N LYS 132.A O no hydrogen 2.719 N/A GLN 136.A NE2 ASP 109.A O no hydrogen 2.864 N/A LEU 137.A N ALA 133.A O no hydrogen 3.148 N/A ASN 138.A N ILE 134.A O no hydrogen 2.931 N/A ASN 138.A ND2 LEU 149.A O no hydrogen 2.717 N/A SER 139.A N ALA 135.A O no hydrogen 2.728 N/A SER 139.A OG ALA 135.A O no hydrogen 2.899 N/A LYS 140.A N GLN 136.A O no hydrogen 3.147 N/A TYR 141.A OH ASP 109.A OD1 no hydrogen 2.738 N/A GLY 142.A N ASN 138.A O no hydrogen 2.985 N/A LYS 143.A N LEU 137.A O no hydrogen 3.146 N/A LYS 143.A NZ ARG 320.A O no hydrogen 2.793 N/A LYS 143.A NZ ASP 324.A OD1 no hydrogen 2.464 N/A LYS 143.A NZ ASP 324.A OD2 no hydrogen 3.320 N/A LYS 144.A NZ ASN 148.A OD1 no hydrogen 3.343 N/A ILE 147.A N VAL 145.A O no hydrogen 2.691 N/A ASN 148.A N ASP 166.A O no hydrogen 2.991 N/A PHE 150.A N HIS 164.A O no hydrogen 3.225 N/A GLY 152.A N VAL 162.A O no hydrogen 3.221 N/A ASP 154.A N ASN 160.A O no hydrogen 2.986 N/A LYS 156.A N ASP 154.A OD2 no hydrogen 2.961 N/A ASN 157.A N ASP 154.A O no hydrogen 3.024 N/A SER 158.A N ASP 548.A OD1 no hydrogen 2.902 N/A SER 158.A OG ASP 546.A O no hydrogen 2.784 N/A SER 158.A OG ASP 548.A OD1 no hydrogen 3.568 N/A ASN 160.A N ASN 157.A O no hydrogen 3.058 N/A VAL 162.A N GLY 152.A O no hydrogen 2.942 N/A HIS 164.A N PHE 150.A O no hydrogen 2.832 N/A HIS 164.A ND1 VAL 162.A O no hydrogen 2.838 N/A ILE 165.A N VAL 291.A O no hydrogen 2.801 N/A ASP 166.A N ASN 148.A O no hydrogen 2.750 N/A GLN 167.A N ASP 166.A OD1 no hydrogen 2.707 N/A GLN 167.A NE2 ALA 234.A O no hydrogen 3.198 N/A GLY 171.A N GLU 226.A OE2 no hydrogen 3.065 N/A LEU 172.A N TYR 178.A OH no hydrogen 2.905 N/A SER 174.A OG ASP 176.A OD1 no hydrogen 2.770 N/A ARG 175.A NE THR 233.A OG1 no hydrogen 3.181 N/A ARG 175.A NH2 THR 233.A O no hydrogen 2.670 N/A TYR 177.A N SER 174.A O no hydrogen 2.955 N/A TYR 178.A N ARG 175.A O no hydrogen 3.207 N/A TYR 178.A OH GLU 226.A OE1 no hydrogen 2.652 N/A GLU 179.A N ASP 176.A O no hydrogen 3.098 N/A CYS 180.A N TYR 177.A O no hydrogen 2.876 N/A CYS 180.A SG TYR 177.A O no hydrogen 3.622 N/A CYS 180.A SG TYR 178.A O no hydrogen 3.383 N/A TYR 184.A N THR 181.A O no hydrogen 2.901 N/A LYS 185.A N GLY 182.A O no hydrogen 3.149 N/A CYS 188.A N TYR 184.A O no hydrogen 3.066 N/A CYS 188.A SG TYR 177.A O no hydrogen 3.200 N/A CYS 188.A SG TYR 184.A O no hydrogen 3.778 N/A THR 189.A N LYS 185.A O no hydrogen 2.908 N/A THR 189.A OG1 LYS 185.A O no hydrogen 3.156 N/A ALA 190.A N GLU 186.A O no hydrogen 2.813 N/A TYR 191.A N ALA 187.A O no hydrogen 2.927 N/A TYR 191.A OH GLU 226.A OE1 no hydrogen 2.912 N/A VAL 192.A N CYS 188.A O no hydrogen 3.312 N/A ASP 193.A N THR 189.A O no hydrogen 2.986 N/A PHE 194.A N ALA 190.A O no hydrogen 2.754 N/A MET 195.A N TYR 191.A O no hydrogen 3.019 N/A ILE 196.A N VAL 192.A O no hydrogen 2.884 N/A SER 197.A N ASP 193.A O no hydrogen 2.795 N/A SER 197.A OG ASP 193.A O no hydrogen 2.917 N/A VAL 198.A N PHE 194.A O no hydrogen 2.968 N/A VAL 198.A N MET 195.A O no hydrogen 3.205 N/A ALA 199.A N MET 195.A O no hydrogen 2.981 N/A ARG 200.A N ILE 196.A O no hydrogen 3.025 N/A ARG 200.A NE GLU 212.A OE1 no hydrogen 2.943 N/A ARG 200.A NE GLU 212.A OE2 no hydrogen 3.359 N/A ARG 200.A NH2 GLU 212.A OE2 no hydrogen 3.124 N/A LEU 201.A N SER 197.A O no hydrogen 3.225 N/A ILE 202.A N VAL 198.A O no hydrogen 3.160 N/A ARG 203.A N ALA 199.A O no hydrogen 3.084 N/A ARG 203.A NE VAL 115.A O no hydrogen 3.065 N/A ARG 203.A NH1 PRO 209.A O no hydrogen 2.531 N/A GLN 204.A N ARG 200.A O no hydrogen 2.845 N/A GLU 205.A N LEU 201.A O no hydrogen 2.864 N/A GLU 206.A N ILE 202.A O no hydrogen 2.946 N/A ARG 207.A N GLN 204.A O no hydrogen 2.864 N/A LEU 208.A N ARG 203.A O no hydrogen 2.776 N/A ASN 213.A N ASP 211.A OD1 no hydrogen 2.719 N/A GLN 214.A N ASP 211.A O no hydrogen 3.116 N/A GLN 214.A N ASP 211.A OD1 no hydrogen 3.325 N/A LEU 215.A N ASP 211.A O no hydrogen 3.239 N/A ALA 216.A N GLU 212.A O no hydrogen 3.011 N/A GLU 218.A N GLN 214.A O no hydrogen 2.952 N/A MET 219.A N LEU 215.A O no hydrogen 2.953 N/A ASN 220.A N ALA 216.A O no hydrogen 3.125 N/A ASN 220.A ND2 ALA 216.A O no hydrogen 2.596 N/A LYS 221.A N LEU 217.A O no hydrogen 3.241 N/A VAL 222.A N GLU 218.A O no hydrogen 2.942 N/A MET 223.A N MET 219.A O no hydrogen 3.080 N/A GLU 224.A N ASN 220.A O no hydrogen 2.963 N/A LEU 225.A N LYS 221.A O no hydrogen 2.947 N/A GLU 226.A N VAL 222.A O no hydrogen 3.036 N/A LYS 227.A N MET 223.A O no hydrogen 2.855 N/A LYS 227.A NZ GLU 224.A OE2 no hydrogen 3.528 N/A GLU 228.A N GLU 224.A O no hydrogen 3.219 N/A ILE 229.A N LEU 225.A O no hydrogen 3.008 N/A ALA 230.A N GLU 226.A O no hydrogen 2.521 N/A ASN 231.A N LYS 227.A O no hydrogen 2.865 N/A ALA 232.A N GLU 228.A O no hydrogen 2.961 N/A THR 233.A N ILE 229.A O no hydrogen 3.070 N/A THR 233.A N ALA 230.A O no hydrogen 2.986 N/A THR 233.A OG1 ALA 230.A O no hydrogen 2.463 N/A ALA 234.A N GLN 167.A OE1 no hydrogen 2.728 N/A GLU 237.A N GLU 237.A OE2 no hydrogen 2.975 N/A ASP 238.A N LYS 235.A O no hydrogen 3.144 N/A ARG 239.A N PRO 236.A O no hydrogen 2.975 N/A ARG 239.A NH1 ASP 166.A OD1 no hydrogen 2.934 N/A ARG 239.A NH2 ASP 166.A OD1 no hydrogen 3.364 N/A ARG 239.A NH2 ASP 166.A OD2 no hydrogen 2.818 N/A MET 243.A N ASP 241.A OD1 no hydrogen 2.805 N/A LEU 244.A N ASP 241.A OD1 no hydrogen 3.284 N/A LEU 245.A N ASP 241.A O no hydrogen 2.899 N/A TYR 246.A N PRO 242.A O no hydrogen 3.201 N/A TYR 246.A OH ASP 154.A OD2 no hydrogen 2.573 N/A ASN 247.A ND2 LEU 244.A O no hydrogen 3.280 N/A ASN 247.A ND2 VAL 292.A O no hydrogen 3.165 N/A LYS 248.A NZ ASP 154.A OD1 no hydrogen 3.157 N/A MET 249.A N VAL 290.A O no hydrogen 2.729 N/A LEU 251.A N GLU 288.A O no hydrogen 2.923 N/A GLN 253.A N THR 250.A OG1 no hydrogen 2.841 N/A ILE 254.A N THR 250.A O no hydrogen 2.863 N/A GLN 255.A N LEU 251.A O no hydrogen 2.965 N/A GLN 255.A NE2 GLN 255.A O no hydrogen 3.527 N/A GLN 255.A NE2 PHE 267.A O no hydrogen 2.971 N/A ASN 256.A N ALA 252.A O no hydrogen 3.221 N/A ASN 256.A N GLN 253.A O no hydrogen 3.022 N/A ASN 257.A N GLN 253.A O no hydrogen 2.882 N/A ASN 257.A N ILE 254.A O no hydrogen 3.286 N/A PHE 258.A N ILE 254.A O no hydrogen 2.885 N/A LYS 265.A NZ GLU 131.A OE2 no hydrogen 3.541 N/A PHE 267.A N LEU 260.A O no hydrogen 2.798 N/A SER 268.A N GLU 131.A OE2 no hydrogen 3.227 N/A TRP 269.A N GLN 255.A OE1 no hydrogen 2.668 N/A TRP 269.A NE1 PHE 258.A O no hydrogen 2.955 N/A ASN 271.A N SER 268.A OG no hydrogen 3.327 N/A PHE 272.A N SER 268.A O no hydrogen 3.022 N/A THR 273.A N TRP 269.A O no hydrogen 2.741 N/A THR 273.A OG1 TRP 269.A O no hydrogen 2.880 N/A ASN 274.A N LEU 270.A O no hydrogen 2.817 N/A ASN 274.A ND2 LEU 270.A O no hydrogen 2.945 N/A ASN 274.A ND2 ILE 284.A O no hydrogen 2.825 N/A GLU 275.A N ASN 271.A O no hydrogen 2.719 N/A ILE 276.A N PHE 272.A O no hydrogen 3.239 N/A MET 277.A N THR 273.A O no hydrogen 2.982 N/A SER 278.A N ASN 274.A O no hydrogen 2.831 N/A SER 278.A OG ASN 274.A O no hydrogen 3.106 N/A VAL 280.A N MET 277.A O no hydrogen 3.254 N/A ILE 282.A N MET 277.A O no hydrogen 2.902 N/A ILE 284.A N ASN 274.A OD1 no hydrogen 2.943 N/A THR 285.A OG1 GLU 287.A OE1 no hydrogen 2.929 N/A GLU 288.A N THR 285.A O no hydrogen 3.000 N/A VAL 290.A N MET 249.A O no hydrogen 2.499 N/A VAL 291.A N ILE 163.A O no hydrogen 2.903 N/A VAL 292.A N ASN 247.A O no hydrogen 2.997 N/A TYR 293.A N ILE 165.A O no hydrogen 2.735 N/A TYR 293.A OH ASP 155.A OD1 no hydrogen 2.483 N/A TYR 297.A OH LEU 146.A O no hydrogen 2.655 N/A LEU 298.A N ALA 294.A O no hydrogen 3.048 N/A THR 299.A N PRO 295.A O no hydrogen 3.030 N/A THR 299.A OG1 PRO 295.A O no hydrogen 3.355 N/A LYS 300.A N GLU 296.A O no hydrogen 2.922 N/A LEU 301.A N TYR 297.A O no hydrogen 2.679 N/A LYS 302.A N THR 299.A O no hydrogen 3.423 N/A LEU 305.A N LEU 301.A O no hydrogen 2.913 N/A THR 306.A N LYS 302.A O no hydrogen 3.355 N/A THR 306.A OG1 LYS 302.A O no hydrogen 2.585 N/A LYS 307.A N ILE 304.A O no hydrogen 3.015 N/A LYS 307.A NZ GLU 228.A OE1 no hydrogen 3.296 N/A LYS 307.A NZ GLU 228.A OE2 no hydrogen 2.914 N/A TYR 308.A N LEU 305.A O no hydrogen 3.326 N/A TYR 308.A OH GLU 228.A OE1 no hydrogen 2.691 N/A SER 309.A N ASP 312.A OD2 no hydrogen 3.237 N/A ARG 311.A NE GLU 218.A OE1 no hydrogen 2.667 N/A ARG 311.A NH2 GLU 218.A OE1 no hydrogen 2.418 N/A ARG 311.A NH2 GLU 218.A OE2 no hydrogen 2.949 N/A ASP 312.A N SER 309.A OG no hydrogen 2.646 N/A LEU 313.A N SER 309.A O no hydrogen 2.883 N/A GLN 314.A N ALA 310.A O no hydrogen 3.015 N/A GLN 314.A NE2 SER 318.A OG no hydrogen 3.077 N/A ASN 315.A N ARG 311.A O no hydrogen 2.948 N/A LEU 316.A N ASP 312.A O no hydrogen 3.267 N/A LEU 316.A N LEU 313.A O no hydrogen 2.955 N/A MET 317.A N LEU 313.A O no hydrogen 2.823 N/A SER 318.A N GLN 314.A O no hydrogen 2.905 N/A SER 318.A OG GLY 112.A O no hydrogen 2.662 N/A SER 318.A OG GLN 314.A O no hydrogen 3.547 N/A ARG 320.A N LEU 316.A O no hydrogen 3.010 N/A ARG 320.A N MET 317.A O no hydrogen 3.233 N/A PHE 321.A N SER 318.A O no hydrogen 3.059 N/A ILE 322.A N SER 318.A O no hydrogen 2.823 N/A MET 323.A N TRP 319.A O no hydrogen 2.803 N/A ASP 324.A N PHE 321.A O no hydrogen 2.983 N/A LEU 325.A N ILE 322.A O no hydrogen 2.976 N/A VAL 326.A N MET 323.A O no hydrogen 3.510 N/A SER 328.A N LEU 325.A O no hydrogen 2.787 N/A SER 328.A OG LEU 325.A O no hydrogen 3.354 N/A LEU 329.A N VAL 326.A O no hydrogen 3.388 N/A SER 330.A N GLY 99.A O no hydrogen 3.414 N/A ARG 331.A N ASP 96.A OD2 no hydrogen 2.904 N/A TYR 333.A N SER 330.A O no hydrogen 2.863 N/A TYR 333.A OH GLU 205.A OE1 no hydrogen 2.701 N/A LYS 334.A N SER 330.A O no hydrogen 3.022 N/A LYS 334.A NZ SER 327.A O no hydrogen 3.449 N/A LYS 334.A NZ LEU 329.A O no hydrogen 2.837 N/A GLU 335.A N ARG 331.A O no hydrogen 2.580 N/A SER 336.A N TYR 333.A O no hydrogen 3.192 N/A SER 336.A OG TYR 333.A O no hydrogen 3.117 N/A ARG 337.A N LYS 334.A O no hydrogen 3.127 N/A ASN 338.A N GLU 335.A O no hydrogen 3.026 N/A ASN 338.A ND2 GLU 335.A O no hydrogen 2.376 N/A ARG 341.A N ARG 337.A O no hydrogen 3.254 N/A ARG 341.A NE THR 347.A O no hydrogen 3.373 N/A ARG 341.A NE THR 347.A OG1 no hydrogen 3.016 N/A ARG 341.A NH1 ASN 338.A OD1 no hydrogen 3.378 N/A ARG 341.A NH2 THR 347.A O no hydrogen 3.460 N/A LYS 342.A N ASN 338.A O no hydrogen 3.100 N/A ALA 343.A N ALA 339.A O no hydrogen 2.763 N/A LEU 344.A N PHE 340.A O no hydrogen 2.964 N/A TYR 345.A N ARG 341.A O no hydrogen 2.631 N/A GLY 346.A N ARG 341.A O no hydrogen 3.312 N/A GLY 346.A N LYS 342.A O no hydrogen 2.810 N/A THR 348.A N GLU 45.A O no hydrogen 2.962 N/A THR 348.A OG1 GLU 45.A OE1 no hydrogen 2.853 N/A SER 349.A OG GLU 350.A O no hydrogen 3.076 N/A THR 353.A OG1 GLU 92.A OE1 no hydrogen 2.770 N/A ARG 355.A N ALA 352.A O no hydrogen 3.045 N/A ARG 355.A NH1 ASP 58.A O no hydrogen 2.830 N/A ARG 355.A NH1 GLU 61.A OE1 no hydrogen 3.077 N/A ARG 356.A N ALA 352.A O no hydrogen 3.056 N/A ARG 356.A NH1 THR 351.A O no hydrogen 2.699 N/A ARG 356.A NH2 THR 353.A OG1 no hydrogen 3.197 N/A CYS 357.A N THR 353.A O no hydrogen 2.963 N/A CYS 357.A SG THR 353.A O no hydrogen 3.159 N/A ALA 358.A N TRP 354.A O no hydrogen 2.842 N/A ASN 359.A N ARG 355.A O no hydrogen 2.983 N/A ASN 359.A ND2 GLU 61.A OE2 no hydrogen 2.502 N/A TYR 360.A N ARG 356.A O no hydrogen 2.881 N/A VAL 361.A N CYS 357.A O no hydrogen 2.926 N/A ASN 362.A N ALA 358.A O no hydrogen 2.890 N/A ASN 362.A ND2 ALA 486.A O no hydrogen 3.101 N/A GLY 363.A N ASN 359.A O no hydrogen 2.981 N/A ASN 364.A N TYR 360.A O no hydrogen 3.064 N/A ASN 364.A N VAL 361.A O no hydrogen 3.112 N/A ASN 364.A ND2 TYR 360.A O no hydrogen 2.989 N/A MET 365.A N VAL 361.A O no hydrogen 2.735 N/A ASN 367.A ND2 GLU 442.A OE1 no hydrogen 3.104 N/A ALA 368.A N TYR 443.A OH no hydrogen 2.912 N/A VAL 369.A N MET 365.A O no hydrogen 2.879 N/A GLY 370.A N GLU 366.A O no hydrogen 2.837 N/A ARG 371.A N ASN 367.A O no hydrogen 3.158 N/A ARG 371.A NH1 ILE 432.A O no hydrogen 2.857 N/A ARG 371.A NH1 ASP 436.A OD1 no hydrogen 3.162 N/A ARG 371.A NH2 ASP 436.A OD1 no hydrogen 3.415 N/A LEU 372.A N ALA 368.A O no hydrogen 3.459 N/A TYR 373.A N VAL 369.A O no hydrogen 2.862 N/A VAL 374.A N GLY 370.A O no hydrogen 2.984 N/A GLU 375.A N ARG 371.A O no hydrogen 3.139 N/A ALA 376.A N LEU 372.A O no hydrogen 3.072 N/A ALA 377.A N VAL 374.A O no hydrogen 3.304 N/A PHE 378.A N VAL 374.A O no hydrogen 2.957 N/A VAL 385.A N GLU 381.A O no hydrogen 3.268 N/A VAL 386.A N SER 382.A O no hydrogen 3.086 N/A GLU 387.A N LYS 383.A O no hydrogen 3.093 N/A ASP 388.A N HIS 384.A O no hydrogen 3.440 N/A LEU 389.A N VAL 385.A O no hydrogen 3.020 N/A ILE 390.A N VAL 386.A O no hydrogen 2.668 N/A ALA 391.A N GLU 387.A O no hydrogen 2.852 N/A GLN 392.A N ASP 388.A O no hydrogen 2.878 N/A GLN 392.A NE2 ASP 388.A OD2 no hydrogen 2.602 N/A ILE 393.A N LEU 389.A O no hydrogen 3.003 N/A ARG 394.A N ILE 390.A O no hydrogen 2.956 N/A ARG 394.A NH1 ALA 419.A O no hydrogen 2.658 N/A ARG 394.A NH1 ILE 422.A O no hydrogen 3.081 N/A ARG 394.A NH2 ILE 422.A O no hydrogen 3.244 N/A GLU 395.A N ALA 391.A O no hydrogen 3.119 N/A VAL 396.A N GLN 392.A O no hydrogen 3.049 N/A PHE 397.A N ILE 393.A O no hydrogen 3.093 N/A ILE 398.A N ARG 394.A O no hydrogen 3.166 N/A GLN 399.A N GLU 395.A O no hydrogen 2.826 N/A THR 400.A N VAL 396.A O no hydrogen 2.866 N/A THR 400.A N PHE 397.A O no hydrogen 3.049 N/A THR 400.A OG1 VAL 396.A O no hydrogen 2.390 N/A LEU 401.A N PHE 397.A O no hydrogen 3.187 N/A LEU 401.A N ILE 398.A O no hydrogen 3.064 N/A ASP 402.A N GLN 399.A O no hydrogen 3.438 N/A ASP 403.A N THR 400.A O no hydrogen 2.851 N/A LEU 404.A N LEU 401.A O no hydrogen 3.172 N/A TRP 406.A NE1 VAL 695.A O no hydrogen 2.917 N/A ASP 408.A N SER 557.A OG no hydrogen 3.127 N/A GLU 410.A N GLU 410.A OE1 no hydrogen 3.240 N/A THR 411.A N ASP 408.A OD2 no hydrogen 2.986 N/A THR 411.A OG1 ASP 408.A OD2 no hydrogen 2.646 N/A THR 411.A OG1 THR 554.A OG1 no hydrogen 3.368 N/A LYS 412.A N ASP 408.A O no hydrogen 2.875 N/A LYS 412.A NZ LEU 401.A O no hydrogen 2.493 N/A LYS 412.A NZ ASP 402.A O no hydrogen 3.355 N/A LYS 412.A NZ LEU 404.A O no hydrogen 2.395 N/A LYS 413.A N ALA 409.A O no hydrogen 3.024 N/A ARG 414.A N GLU 410.A O no hydrogen 3.180 N/A ALA 415.A N THR 411.A O no hydrogen 2.878 N/A GLU 416.A N LYS 412.A O no hydrogen 2.738 N/A GLU 417.A N LYS 413.A O no hydrogen 2.979 N/A LYS 418.A N ARG 414.A O no hydrogen 3.213 N/A LYS 418.A N ALA 415.A O no hydrogen 2.984 N/A LYS 418.A NZ TYR 492.A OH no hydrogen 3.446 N/A LYS 418.A NZ GLY 535.A O no hydrogen 3.252 N/A LYS 418.A NZ GLY 540.A O no hydrogen 2.876 N/A LYS 418.A NZ PHE 543.A O no hydrogen 2.435 N/A ALA 419.A N ALA 415.A O no hydrogen 3.061 N/A LEU 420.A N GLU 416.A O no hydrogen 3.162 N/A ALA 421.A N LYS 418.A O no hydrogen 2.856 N/A ILE 422.A N ALA 419.A O no hydrogen 2.724 N/A LYS 423.A N ASN 497.A O no hydrogen 2.960 N/A GLU 424.A N GLU 424.A OE2 no hydrogen 3.127 N/A ARG 425.A N ILE 499.A O no hydrogen 2.755 N/A ARG 425.A NE GLN 498.A OE1 no hydrogen 3.105 N/A GLY 427.A N PHE 501.A O no hydrogen 2.833 N/A TYR 428.A N ILE 426.A O no hydrogen 2.850 N/A ILE 432.A N PRO 429.A O no hydrogen 3.043 N/A VAL 433.A N ASP 430.A O no hydrogen 3.009 N/A SER 434.A N ASP 430.A O no hydrogen 3.043 N/A SER 434.A OG ASP 430.A O no hydrogen 3.154 N/A ASN 435.A N ASP 431.A O no hydrogen 2.864 N/A LYS 438.A N ASN 435.A OD1 no hydrogen 2.709 N/A LYS 438.A NZ ASP 431.A OD1 no hydrogen 3.013 N/A LEU 439.A N ASN 435.A O no hydrogen 3.140 N/A ASN 440.A N ASP 436.A O no hydrogen 2.764 N/A ASN 441.A N ASN 437.A O no hydrogen 2.976 N/A GLU 442.A N LYS 438.A O no hydrogen 3.258 N/A GLU 442.A N LEU 439.A O no hydrogen 3.347 N/A TYR 443.A N ASN 440.A O no hydrogen 3.086 N/A LEU 444.A N ASN 441.A O no hydrogen 3.346 N/A LEU 446.A N TYR 443.A O no hydrogen 2.855 N/A ASN 447.A N GLN 459.A OE1 no hydrogen 2.887 N/A TYR 448.A OH ASN 460.A OD1 no hydrogen 2.578 N/A GLU 452.A N LYS 449.A O no hydrogen 3.126 N/A GLU 455.A N GLU 455.A OE1 no hydrogen 2.549 N/A ASN 456.A N GLU 452.A O no hydrogen 2.960 N/A ILE 457.A N TYR 453.A O no hydrogen 2.863 N/A ILE 458.A N PHE 454.A O no hydrogen 2.911 N/A GLN 459.A N GLU 455.A O no hydrogen 2.871 N/A GLN 459.A NE2 ASN 447.A O no hydrogen 2.999 N/A ASN 460.A N ASN 456.A O no hydrogen 3.035 N/A ASN 460.A ND2 TYR 360.A OH no hydrogen 3.199 N/A LEU 461.A N ILE 457.A O no hydrogen 3.007 N/A LYS 462.A N ILE 458.A O no hydrogen 3.017 N/A PHE 463.A N GLN 459.A O no hydrogen 2.860 N/A SER 464.A N ASN 460.A O no hydrogen 2.848 N/A SER 464.A OG ASN 460.A O no hydrogen 3.233 N/A GLN 465.A N LEU 461.A O no hydrogen 3.066 N/A GLN 465.A NE2 ASN 138.A OD1 no hydrogen 3.270 N/A SER 466.A N LYS 462.A O no hydrogen 2.849 N/A LYS 467.A N PHE 463.A O no hydrogen 2.905 N/A GLN 468.A N SER 464.A O no hydrogen 2.985 N/A GLN 468.A NE2 VAL 151.A O no hydrogen 2.680 N/A LEU 469.A N GLN 465.A O no hydrogen 2.930 N/A LYS 470.A N SER 466.A O no hydrogen 3.112 N/A LYS 470.A N LYS 467.A O no hydrogen 3.137 N/A LYS 471.A N GLN 468.A O no hydrogen 3.189 N/A LYS 471.A NZ HIS 161.A NE2 no hydrogen 2.880 N/A LEU 472.A N LEU 469.A O no hydrogen 3.453 N/A ARG 473.A NH1 GLU 288.A OE1 no hydrogen 2.632 N/A ARG 473.A NH2 GLU 288.A OE1 no hydrogen 3.156 N/A ARG 473.A NH2 GLU 288.A OE2 no hydrogen 3.008 N/A GLU 474.A N LYS 471.A O no hydrogen 2.760 N/A VAL 476.A N VAL 159.A O no hydrogen 2.882 N/A ASP 479.A N ASP 477.A OD1 no hydrogen 2.730 N/A GLU 480.A N ASP 477.A O no hydrogen 3.376 N/A SER 483.A OG GLY 484.A O no hydrogen 2.622 N/A ALA 490.A N ASN 489.A OD1 no hydrogen 3.098 N/A PHE 491.A N VAL 500.A O no hydrogen 3.213 N/A SER 493.A N GLN 498.A O no hydrogen 3.022 N/A ARG 496.A NH1 ASP 477.A O no hydrogen 2.602 N/A ASN 497.A N SER 494.A O no hydrogen 3.115 N/A GLN 498.A N SER 493.A O no hydrogen 3.130 N/A ILE 499.A N LYS 423.A O no hydrogen 2.803 N/A VAL 500.A N PHE 491.A O no hydrogen 3.126 N/A PHE 501.A N ARG 425.A O no hydrogen 2.845 N/A ALA 503.A N GLY 427.A O no hydrogen 2.944 N/A GLY 504.A N ALA 485.A O no hydrogen 3.271 N/A ILE 505.A N PRO 502.A O no hydrogen 3.179 N/A LEU 506.A N ALA 503.A O no hydrogen 2.790 N/A GLN 507.A N ILE 505.A O no hydrogen 2.803 N/A GLN 507.A NE2 GLY 504.A O no hydrogen 2.583 N/A PHE 511.A N GLN 507.A O no hydrogen 3.151 N/A SER 512.A N ASN 520.A OD1 no hydrogen 2.844 N/A SER 512.A OG GLN 514.A OE1 no hydrogen 3.426 N/A GLN 514.A N SER 512.A OG no hydrogen 3.410 N/A GLN 515.A N SER 512.A O no hydrogen 3.217 N/A GLN 515.A NE2 PRO 509.A O no hydrogen 3.348 N/A GLN 515.A NE2 ASN 520.A OD1 no hydrogen 2.731 N/A ASN 517.A N GLU 618.A OE2 no hydrogen 2.655 N/A SER 518.A N GLU 618.A OE1 no hydrogen 2.725 N/A LEU 519.A N SER 516.A O no hydrogen 2.875 N/A ASN 520.A N SER 516.A O no hydrogen 3.199 N/A ASN 520.A ND2 SER 512.A O no hydrogen 2.809 N/A TYR 521.A N ASN 517.A O no hydrogen 3.026 N/A TYR 521.A OH GLN 392.A OE1 no hydrogen 2.464 N/A GLY 522.A N SER 518.A O no hydrogen 3.183 N/A GLY 523.A N ASN 520.A O no hydrogen 3.102 N/A ILE 524.A N PHE 510.A O no hydrogen 3.039 N/A GLY 525.A N ASN 520.A O no hydrogen 2.786 N/A MET 526.A N GLY 523.A O no hydrogen 3.147 N/A VAL 527.A N GLY 523.A O no hydrogen 3.161 N/A ILE 528.A N ILE 524.A O no hydrogen 2.860 N/A GLY 529.A N GLY 525.A O no hydrogen 3.273 N/A HIS 530.A N MET 526.A O no hydrogen 2.980 N/A HIS 530.A ND1 ASP 597.A OD2 no hydrogen 2.846 N/A GLU 531.A N VAL 527.A O no hydrogen 3.109 N/A ILE 532.A N ILE 528.A O no hydrogen 3.032 N/A THR 533.A N GLY 529.A O no hydrogen 2.748 N/A THR 533.A OG1 GLY 529.A O no hydrogen 2.626 N/A THR 533.A OG1 GLN 603.A OE1 no hydrogen 3.048 N/A HIS 534.A N HIS 530.A O no hydrogen 3.124 N/A HIS 534.A N GLU 531.A O no hydrogen 3.353 N/A HIS 534.A ND1 ASP 537.A OD2 no hydrogen 2.796 N/A HIS 534.A NE2 HIS 530.A NE2 no hydrogen 2.955 N/A HIS 534.A NE2 GLU 593.A OE1 no hydrogen 3.117 N/A GLY 535.A N ILE 532.A O no hydrogen 2.920 N/A PHE 536.A N THR 533.A O no hydrogen 2.938 N/A ASP 537.A N HIS 534.A O no hydrogen 3.484 N/A ASN 539.A N ASP 537.A OD1 no hydrogen 2.730 N/A GLY 540.A N ASP 537.A OD1 no hydrogen 2.921 N/A ARG 541.A N ASP 537.A O no hydrogen 2.899 N/A ASN 542.A N ASN 539.A O no hydrogen 3.084 N/A ASN 542.A ND2 ASN 539.A O no hydrogen 3.179 N/A ASN 544.A N ASP 548.A O no hydrogen 2.919 N/A GLY 547.A N ASN 544.A O no hydrogen 2.902 N/A LEU 549.A N ASP 155.A O no hydrogen 2.613 N/A TRP 552.A NE1 PHE 543.A O no hydrogen 3.138 N/A TRP 553.A N ASP 551.A OD1 no hydrogen 2.733 N/A THR 554.A OG1 ASP 408.A OD1 no hydrogen 2.447 N/A THR 554.A OG1 ASP 408.A OD2 no hydrogen 3.470 N/A THR 554.A OG1 THR 411.A OG1 no hydrogen 3.368 N/A SER 557.A N THR 554.A OG1 no hydrogen 3.397 N/A SER 557.A OG ASP 408.A OD1 no hydrogen 2.737 N/A SER 557.A OG THR 554.A OG1 no hydrogen 3.282 N/A ALA 558.A N THR 554.A O no hydrogen 2.953 N/A SER 559.A N GLN 555.A O no hydrogen 2.896 N/A ASN 560.A N GLN 556.A O no hydrogen 2.772 N/A ASN 560.A ND2 TRP 406.A O no hydrogen 2.727 N/A PHE 561.A N SER 557.A O no hydrogen 2.822 N/A LYS 562.A N ALA 558.A O no hydrogen 3.135 N/A GLU 563.A N SER 559.A O no hydrogen 3.073 N/A GLN 564.A N ASN 560.A O no hydrogen 2.679 N/A GLN 564.A NE2 ARG 694.A O no hydrogen 2.986 N/A SER 565.A N PHE 561.A O no hydrogen 2.918 N/A SER 565.A OG PHE 561.A O no hydrogen 2.937 N/A SER 565.A OG LYS 562.A O no hydrogen 3.074 N/A GLN 566.A N LYS 562.A O no hydrogen 2.825 N/A CYS 567.A N GLN 564.A O no hydrogen 3.317 N/A MET 568.A N SER 565.A O no hydrogen 2.842 N/A VAL 569.A N SER 565.A O no hydrogen 3.152 N/A TYR 570.A N GLN 566.A O no hydrogen 3.091 N/A GLN 571.A N CYS 567.A O no hydrogen 2.989 N/A GLN 571.A NE2 GLY 667.A O no hydrogen 2.877 N/A GLN 571.A NE2 GLN 670.A OE1 no hydrogen 3.031 N/A TYR 572.A N MET 568.A O no hydrogen 3.022 N/A GLY 573.A N VAL 569.A O no hydrogen 2.919 N/A ASN 574.A N GLN 571.A O no hydrogen 3.135 N/A ASN 574.A ND2 TYR 570.A O no hydrogen 2.673 N/A PHE 575.A N TYR 572.A O no hydrogen 2.917 N/A TRP 577.A N GLN 583.A O no hydrogen 2.876 N/A LEU 579.A N ASP 578.A OD2 no hydrogen 2.685 N/A ALA 580.A N TRP 577.A O no hydrogen 2.979 N/A GLY 581.A N ASP 578.A O no hydrogen 2.659 N/A GLY 582.A N TRP 577.A O no hydrogen 2.931 N/A GLN 583.A N ALA 580.A O no hydrogen 3.377 N/A GLN 583.A NE2 ALA 580.A O no hydrogen 3.690 N/A HIS 584.A ND1 GLY 582.A O no hydrogen 3.119 N/A LEU 585.A N PHE 575.A O no hydrogen 3.035 N/A ASN 586.A ND2 GLU 237.A OE1 no hydrogen 2.794 N/A ASN 589.A N ASN 586.A OD1 no hydrogen 2.690 N/A THR 590.A N ASN 586.A O no hydrogen 3.259 N/A THR 590.A OG1 ASN 586.A O no hydrogen 2.862 N/A LEU 591.A N ILE 588.A O no hydrogen 3.027 N/A ASN 594.A N THR 590.A O no hydrogen 2.835 N/A ASN 594.A ND2 THR 590.A OG1 no hydrogen 2.781 N/A ILE 595.A N LEU 591.A O no hydrogen 2.776 N/A ALA 596.A N GLY 592.A O no hydrogen 2.910 N/A ASP 597.A N GLU 593.A O no hydrogen 3.028 N/A ASN 598.A N ASN 594.A O no hydrogen 3.115 N/A ASN 598.A ND2 TYR 572.A OH no hydrogen 3.010 N/A ASN 598.A ND2 ASN 594.A O no hydrogen 2.953 N/A GLY 599.A N ILE 595.A O no hydrogen 2.891 N/A GLY 600.A N ALA 596.A O no hydrogen 2.842 N/A LEU 601.A N ASP 597.A O no hydrogen 2.828 N/A GLY 602.A N ASN 598.A O no hydrogen 3.399 N/A GLN 603.A N GLY 599.A O no hydrogen 2.950 N/A GLN 603.A NE2 THR 533.A OG1 no hydrogen 3.056 N/A ALA 604.A N GLY 600.A O no hydrogen 3.037 N/A TYR 605.A N LEU 601.A O no hydrogen 2.919 N/A ARG 606.A N GLY 602.A O no hydrogen 3.060 N/A ALA 607.A N GLN 603.A O no hydrogen 3.020 N/A TYR 608.A N ALA 604.A O no hydrogen 2.869 N/A TYR 608.A OH GLU 618.A OE1 no hydrogen 2.604 N/A GLN 609.A N TYR 605.A O no hydrogen 2.921 N/A ASN 610.A N ARG 606.A O no hydrogen 2.902 N/A TYR 611.A N ALA 607.A O no hydrogen 2.837 N/A ILE 612.A N TYR 608.A O no hydrogen 2.857 N/A LYS 613.A N GLN 609.A O no hydrogen 2.921 N/A LYS 614.A N ASN 610.A O no hydrogen 3.072 N/A ASN 615.A N TYR 611.A O no hydrogen 2.852 N/A ASN 615.A N ILE 612.A O no hydrogen 3.295 N/A ASN 615.A ND2 TYR 611.A O no hydrogen 3.073 N/A GLY 616.A N ILE 612.A O no hydrogen 2.809 N/A GLU 618.A N GLU 617.A OE2 no hydrogen 2.902 N/A LEU 620.A N GLY 1.A O no hydrogen 3.407 N/A ASN 627.A N GLN 630.A OE1 no hydrogen 2.738 N/A HIS 628.A NE2 LYS 619.A O no hydrogen 2.781 N/A GLN 630.A N ASN 627.A OD1 no hydrogen 2.995 N/A GLN 630.A NE2 ALA 678.A O no hydrogen 3.269 N/A LEU 631.A N ASN 627.A O no hydrogen 2.931 N/A PHE 632.A N HIS 628.A O no hydrogen 2.880 N/A PHE 633.A N LYS 629.A O no hydrogen 3.479 N/A LEU 634.A N GLN 630.A O no hydrogen 2.916 N/A ASN 635.A N LEU 631.A O no hydrogen 2.882 N/A PHE 636.A N PHE 632.A O no hydrogen 3.198 N/A ALA 637.A N PHE 633.A O no hydrogen 2.867 N/A GLN 638.A N LEU 634.A O no hydrogen 2.948 N/A GLN 638.A N ASN 635.A O no hydrogen 3.051 N/A GLN 638.A NE2 LEU 15.A O no hydrogen 3.156 N/A GLN 638.A NE2 ALA 33.A O no hydrogen 3.134 N/A VAL 639.A N ASN 635.A O no hydrogen 3.109 N/A TRP 640.A N ALA 637.A O no hydrogen 2.989 N/A CYS 641.A N GLN 638.A O no hydrogen 3.244 N/A CYS 641.A SG ALA 33.A O no hydrogen 3.936 N/A CYS 641.A SG GLN 638.A O no hydrogen 3.694 N/A THR 643.A N TYR 50.A O no hydrogen 2.951 N/A TYR 644.A N THR 643.A OG1 no hydrogen 2.721 N/A ARG 645.A N SER 48.A O no hydrogen 3.019 N/A ARG 645.A NE SER 47.A O no hydrogen 2.808 N/A ARG 645.A NH2 PRO 44.A O no hydrogen 2.868 N/A ARG 645.A NH2 GLU 45.A OE2 no hydrogen 3.545 N/A GLU 647.A N GLU 647.A OE2 no hydrogen 2.759 N/A ALA 649.A N ARG 645.A O no hydrogen 2.817 N/A VAL 650.A N PRO 646.A O no hydrogen 3.016 N/A ASN 651.A N TYR 648.A O no hydrogen 2.912 N/A SER 652.A N TYR 648.A O no hydrogen 2.841 N/A SER 652.A OG TYR 648.A O no hydrogen 3.268 N/A ILE 653.A N ALA 649.A O no hydrogen 3.149 N/A LYS 654.A N ASN 651.A O no hydrogen 3.149 N/A LYS 654.A NZ GLN 583.A OE1 no hydrogen 2.763 N/A THR 655.A N ASN 651.A O no hydrogen 2.969 N/A THR 655.A N SER 652.A O no hydrogen 3.125 N/A THR 655.A OG1 ASN 651.A O no hydrogen 2.726 N/A ASP 656.A N SER 652.A O no hydrogen 2.785 N/A HIS 658.A N ASP 656.A OD1 no hydrogen 2.933 N/A HIS 658.A ND1 ASP 656.A OD1 no hydrogen 2.894 N/A SER 659.A OG ASN 594.A OD1 no hydrogen 2.491 N/A PHE 663.A N PRO 660.A O no hydrogen 2.868 N/A ARG 664.A N PRO 660.A O no hydrogen 3.074 N/A ARG 664.A N GLY 661.A O no hydrogen 3.161 N/A ARG 664.A NE ASP 597.A OD1 no hydrogen 2.870 N/A ARG 664.A NH2 ASP 597.A OD1 no hydrogen 3.245 N/A ARG 664.A NH2 ASP 597.A OD2 no hydrogen 2.842 N/A ILE 665.A N GLY 661.A O no hydrogen 3.124 N/A ILE 666.A N ASN 662.A O no hydrogen 2.950 N/A GLY 667.A N PHE 663.A O no hydrogen 2.856 N/A THR 668.A N ARG 664.A O no hydrogen 3.125 N/A THR 668.A OG1 ARG 664.A O no hydrogen 2.723 N/A LEU 669.A N ILE 665.A O no hydrogen 2.970 N/A GLN 670.A N ILE 666.A O no hydrogen 2.929 N/A GLN 670.A NE2 TYR 686.A O no hydrogen 3.194 N/A ASN 671.A N GLY 667.A O no hydrogen 3.264 N/A ASN 671.A N THR 668.A O no hydrogen 3.062 N/A ASN 671.A ND2 GLN 571.A OE1 no hydrogen 2.802 N/A ASN 671.A ND2 ASN 598.A OD1 no hydrogen 2.854 N/A SER 672.A N LEU 669.A O no hydrogen 2.873 N/A PHE 675.A N SER 672.A O no hydrogen 3.223 N/A PHE 675.A N SER 672.A OG no hydrogen 2.998 N/A SER 676.A N SER 672.A O no hydrogen 3.478 N/A GLU 677.A N ALA 673.A O no hydrogen 3.093 N/A ALA 678.A N GLU 674.A O no hydrogen 3.150 N/A PHE 679.A N PHE 675.A O no hydrogen 3.121 N/A HIS 680.A N GLU 677.A O no hydrogen 3.157 N/A CYS 681.A N SER 676.A O no hydrogen 2.810 N/A CYS 681.A SG PHE 679.A O no hydrogen 4.044 N/A ASN 684.A N ASN 688.A O no hydrogen 2.434 N/A SER 685.A N ARG 682.A O no hydrogen 2.958 N/A SER 685.A N LYS 683.A O no hydrogen 2.477 N/A SER 685.A OG ARG 682.A O no hydrogen 2.747 N/A MET 687.A N CYS 26.A O no hydrogen 3.204 N/A ASN 688.A N SER 685.A O no hydrogen 2.575 N/A ASN 688.A ND2 CYS 681.A O no hydrogen 2.918 N/A GLU 690.A N ASN 684.A OD1 no hydrogen 3.050 N/A LYS 692.A NZ GLN 670.A O no hydrogen 2.844 N/A LYS 692.A NZ ASN 688.A OD1 no hydrogen 2.777 N/A LYS 692.A NZ PRO 689.A O no hydrogen 2.897 N/A CYS 693.A N ASN 671.A OD1 no hydrogen 2.717 N/A CYS 693.A SG GLN 571.A OE1 no hydrogen 3.652 N/A ARG 694.A NE TRP 696.A O no hydrogen 3.351 N/A ARG 694.A NE TRP 696.A OXT no hydrogen 2.782 N/A ARG 694.A NH2 TRP 696.A O no hydrogen 2.802 N/A TRP 696.A NE1 PHE 536.A O no hydrogen 2.776 N/A