Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qgr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 6.A N GLU 2.A O no hydrogen 3.076 N/A LEU 7.A N LEU 3.A O no hydrogen 2.955 N/A GLU 8.A N ILE 4.A O no hydrogen 3.175 N/A LYS 9.A N THR 5.A O no hydrogen 3.220 N/A LYS 9.A N ILE 6.A O no hydrogen 2.976 N/A LYS 9.A NZ GLU 17.A OE2 no hydrogen 2.853 N/A THR 10.A N LEU 7.A O no hydrogen 3.089 N/A THR 10.A OG1 LEU 7.A O no hydrogen 2.475 N/A VAL 11.A N GLU 8.A O no hydrogen 3.478 N/A SER 12.A N LYS 9.A O no hydrogen 3.342 N/A ASP 14.A N SER 12.A OG no hydrogen 2.898 N/A LEU 16.A N ASP 14.A OD1 no hydrogen 3.223 N/A LEU 18.A N ASP 14.A O no hydrogen 2.623 N/A GLU 19.A N ARG 15.A O no hydrogen 2.918 N/A ALA 20.A N LEU 16.A O no hydrogen 2.777 N/A ALA 21.A N GLU 17.A O no hydrogen 3.092 N/A GLN 22.A N LEU 18.A O no hydrogen 3.323 N/A LYS 23.A N GLU 19.A O no hydrogen 3.073 N/A PHE 24.A N ALA 20.A O no hydrogen 3.078 N/A LEU 25.A N ALA 21.A O no hydrogen 3.129 N/A GLU 26.A N GLN 22.A O no hydrogen 2.780 N/A ARG 27.A N LYS 23.A O no hydrogen 2.808 N/A ALA 28.A N PHE 24.A O no hydrogen 2.992 N/A ALA 29.A N LEU 25.A O no hydrogen 2.971 N/A VAL 30.A N GLU 26.A O no hydrogen 3.059 N/A GLU 31.A N ARG 27.A O no hydrogen 2.752 N/A ASN 32.A N ALA 28.A O no hydrogen 2.923 N/A THR 35.A OG1 ASN 32.A OD1 no hydrogen 3.466 N/A PHE 36.A N ASN 32.A O no hydrogen 3.041 N/A LEU 37.A N LEU 33.A O no hydrogen 2.887 N/A VAL 38.A N PRO 34.A O no hydrogen 3.053 N/A GLU 39.A N THR 35.A O no hydrogen 2.759 N/A LEU 40.A N PHE 36.A O no hydrogen 2.832 N/A SER 41.A N LEU 37.A O no hydrogen 2.848 N/A SER 41.A OG LEU 37.A O no hydrogen 3.444 N/A SER 41.A OG VAL 38.A O no hydrogen 2.679 N/A ARG 42.A N VAL 38.A O no hydrogen 2.970 N/A ARG 42.A NH2 GLU 90.A OE2 no hydrogen 3.411 N/A VAL 43.A N GLU 39.A O no hydrogen 3.249 N/A LEU 44.A N LEU 40.A O no hydrogen 3.016 N/A ALA 45.A N SER 41.A O no hydrogen 2.926 N/A ASN 46.A N VAL 43.A O no hydrogen 3.372 N/A GLY 48.A N ASN 46.A OD1 no hydrogen 2.651 N/A ASN 49.A N ASN 46.A O no hydrogen 2.943 N/A ASN 49.A ND2 VAL 43.A O no hydrogen 2.788 N/A SER 50.A OG GLU 8.A OE2 no hydrogen 3.311 N/A GLN 51.A NE2 THR 103.A OG1 no hydrogen 2.827 N/A ALA 53.A N SER 50.A OG no hydrogen 3.209 N/A ARG 54.A N SER 50.A O no hydrogen 3.191 N/A ARG 54.A NE LEU 44.A O no hydrogen 2.882 N/A ARG 54.A NH1 THR 101.A O no hydrogen 3.209 N/A ARG 54.A NH2 LEU 44.A O no hydrogen 2.897 N/A ARG 54.A NH2 THR 101.A OG1 no hydrogen 3.055 N/A VAL 55.A N GLN 51.A O no hydrogen 3.035 N/A ALA 56.A N VAL 52.A O no hydrogen 2.974 N/A ALA 57.A N ALA 53.A O no hydrogen 2.774 N/A GLY 58.A N ARG 54.A O no hydrogen 2.841 N/A LEU 59.A N VAL 55.A O no hydrogen 2.863 N/A GLN 60.A N ALA 56.A O no hydrogen 3.064 N/A ILE 61.A N ALA 57.A O no hydrogen 3.111 N/A LYS 62.A N GLY 58.A O no hydrogen 2.858 N/A ASN 63.A N LEU 59.A O no hydrogen 2.804 N/A SER 64.A N GLN 60.A O no hydrogen 3.125 N/A SER 64.A N ILE 61.A O no hydrogen 2.858 N/A SER 64.A OG GLN 60.A O no hydrogen 2.631 N/A LEU 65.A N LYS 62.A O no hydrogen 2.914 N/A THR 66.A N LYS 62.A O no hydrogen 3.081 N/A ASP 69.A N SER 67.A OG no hydrogen 3.121 N/A ILE 72.A N ASP 69.A OD1 no hydrogen 2.895 N/A LYS 73.A N ASP 69.A O no hydrogen 2.968 N/A ALA 74.A N PRO 70.A O no hydrogen 3.256 N/A GLN 75.A N ASP 71.A O no hydrogen 3.346 N/A GLN 75.A NE2 ASP 71.A O no hydrogen 3.488 N/A TYR 76.A N ILE 72.A O no hydrogen 3.012 N/A GLN 77.A N LYS 73.A O no hydrogen 2.980 N/A GLN 78.A N ALA 74.A O no hydrogen 3.001 N/A ARG 79.A N GLN 75.A O no hydrogen 2.929 N/A ARG 79.A NH2 SER 64.A O no hydrogen 3.068 N/A TRP 80.A N TYR 76.A O no hydrogen 2.875 N/A TRP 80.A NE1 GLU 120.A OE2 no hydrogen 2.715 N/A LEU 81.A N GLN 77.A O no hydrogen 2.829 N/A ALA 82.A N ARG 79.A O no hydrogen 3.328 N/A ILE 83.A N TRP 80.A O no hydrogen 2.965 N/A ASN 86.A N ASP 84.A OD1 no hydrogen 2.799 N/A ARG 88.A N ASP 84.A O no hydrogen 3.049 N/A ARG 88.A NE ILE 83.A O no hydrogen 2.799 N/A ARG 88.A NH1 GLU 120.A OE2 no hydrogen 2.650 N/A ARG 88.A NH1 GLN 125.A OE1 no hydrogen 3.025 N/A ARG 88.A NH2 GLN 125.A OE1 no hydrogen 2.864 N/A ARG 89.A N ALA 85.A O no hydrogen 2.843 N/A ARG 89.A NH1 ASN 86.A OD1 no hydrogen 2.786 N/A GLU 90.A N ASN 86.A O no hydrogen 3.167 N/A VAL 91.A N ALA 87.A O no hydrogen 3.096 N/A LYS 92.A N ARG 88.A O no hydrogen 2.873 N/A LYS 92.A NZ GLU 120.A OE1 no hydrogen 2.812 N/A LYS 92.A NZ GLU 120.A OE2 no hydrogen 3.553 N/A LYS 92.A NZ GLN 125.A O no hydrogen 3.355 N/A ASN 93.A N ARG 89.A O no hydrogen 2.935 N/A TYR 94.A N GLU 90.A O no hydrogen 3.178 N/A VAL 95.A N VAL 91.A O no hydrogen 3.038 N/A LEU 96.A N LYS 92.A O no hydrogen 2.963 N/A HIS 97.A N ASN 93.A O no hydrogen 2.990 N/A THR 98.A N TYR 94.A O no hydrogen 3.144 N/A THR 98.A N VAL 95.A O no hydrogen 2.952 N/A THR 98.A OG1 TYR 94.A O no hydrogen 2.644 N/A LEU 99.A N LEU 96.A O no hydrogen 3.155 N/A THR 101.A N THR 98.A O no hydrogen 2.832 N/A THR 101.A OG1 THR 98.A O no hydrogen 2.686 N/A TYR 104.A N THR 103.A OG1 no hydrogen 2.650 N/A TYR 104.A OH GLU 102.A OE2 no hydrogen 2.715 N/A SER 107.A N GLU 152.A OE1 no hydrogen 3.154 N/A SER 107.A OG GLU 102.A OE1 no hydrogen 2.550 N/A SER 107.A OG SER 110.A OG no hydrogen 2.646 N/A SER 107.A OG SER 149.A OG no hydrogen 3.227 N/A SER 108.A N GLU 102.A OE2 no hydrogen 2.792 N/A ALA 109.A N GLU 102.A OE2 no hydrogen 3.033 N/A SER 110.A N SER 107.A OG no hydrogen 3.024 N/A SER 110.A OG SER 107.A OG no hydrogen 2.646 N/A SER 110.A OG SER 149.A O no hydrogen 2.822 N/A GLN 111.A N SER 108.A O no hydrogen 3.110 N/A GLN 111.A NE2 SER 107.A O no hydrogen 3.216 N/A CYS 112.A N SER 108.A O no hydrogen 3.224 N/A CYS 112.A SG GLY 58.A O no hydrogen 3.256 N/A CYS 112.A SG SER 108.A O no hydrogen 3.462 N/A VAL 113.A N ALA 109.A O no hydrogen 2.876 N/A ALA 114.A N SER 110.A O no hydrogen 3.265 N/A GLY 115.A N GLN 111.A O no hydrogen 2.933 N/A ILE 116.A N CYS 112.A O no hydrogen 3.057 N/A ALA 117.A N VAL 113.A O no hydrogen 2.806 N/A CYS 118.A N ALA 114.A O no hydrogen 2.907 N/A CYS 118.A SG ALA 114.A O no hydrogen 3.324 N/A ALA 119.A N ILE 116.A O no hydrogen 2.832 N/A GLU 120.A N ILE 116.A O no hydrogen 2.861 N/A ILE 121.A N ALA 117.A O no hydrogen 2.817 N/A VAL 123.A N GLU 120.A O no hydrogen 2.928 N/A ASN 124.A N ILE 121.A O no hydrogen 2.868 N/A GLN 125.A N GLU 120.A O no hydrogen 3.021 N/A GLU 128.A N GLU 128.A OE1 no hydrogen 2.642 N/A LEU 129.A N TRP 126.A O no hydrogen 3.055 N/A GLN 132.A N GLU 128.A O no hydrogen 3.145 N/A GLN 132.A NE2 GLN 132.A O no hydrogen 3.151 N/A GLN 132.A NE2 ASN 136.A OD1 no hydrogen 2.709 N/A LEU 133.A N LEU 129.A O no hydrogen 2.924 N/A VAL 134.A N ILE 130.A O no hydrogen 2.808 N/A ALA 135.A N PRO 131.A O no hydrogen 2.777 N/A ASN 136.A N GLN 132.A O no hydrogen 2.863 N/A ASN 136.A ND2 THR 150.A OG1 no hydrogen 3.209 N/A VAL 137.A N LEU 133.A O no hydrogen 3.197 N/A THR 138.A N VAL 134.A O no hydrogen 2.949 N/A THR 138.A OG1 VAL 134.A O no hydrogen 2.947 N/A ASN 139.A N ALA 135.A O no hydrogen 3.090 N/A SER 142.A N ASN 139.A O no hydrogen 2.958 N/A SER 142.A OG ASN 136.A O no hydrogen 2.674 N/A SER 142.A OG ASN 139.A O no hydrogen 3.436 N/A MET 146.A N THR 143.A OG1 no hydrogen 3.137 N/A LYS 147.A N THR 143.A O no hydrogen 2.998 N/A LYS 147.A NZ GLU 185.A OE1 no hydrogen 2.662 N/A LYS 147.A NZ GLU 185.A OE2 no hydrogen 2.707 N/A GLU 148.A N GLU 144.A O no hydrogen 2.833 N/A SER 149.A N HIS 145.A O no hydrogen 2.836 N/A SER 149.A OG SER 107.A OG no hydrogen 3.227 N/A SER 149.A OG SER 110.A OG no hydrogen 3.380 N/A THR 150.A N MET 146.A O no hydrogen 3.076 N/A THR 150.A OG1 MET 146.A O no hydrogen 2.699 N/A LEU 151.A N LYS 147.A O no hydrogen 2.983 N/A GLU 152.A N GLU 148.A O no hydrogen 2.876 N/A ALA 153.A N SER 149.A O no hydrogen 3.081 N/A ILE 154.A N THR 150.A O no hydrogen 2.925 N/A GLY 155.A N LEU 151.A O no hydrogen 2.820 N/A TYR 156.A N GLU 152.A O no hydrogen 2.894 N/A ILE 157.A N ALA 153.A O no hydrogen 2.909 N/A CYS 158.A N ILE 154.A O no hydrogen 2.964 N/A CYS 158.A SG ILE 154.A O no hydrogen 3.328 N/A GLN 159.A N GLY 155.A O no hydrogen 2.983 N/A GLN 159.A NE2 ASP 160.A OD1 no hydrogen 3.271 N/A ASP 160.A N TYR 156.A O no hydrogen 2.938 N/A ASP 160.A N ILE 157.A O no hydrogen 3.194 N/A ILE 161.A N ILE 157.A O no hydrogen 3.009 N/A GLU 164.A N ASP 162.A OD1 no hydrogen 2.791 N/A GLN 165.A N ASP 162.A O no hydrogen 2.667 N/A LEU 166.A N PRO 163.A O no hydrogen 2.864 N/A GLN 167.A N PRO 163.A O no hydrogen 3.097 N/A LYS 169.A N LEU 166.A O no hydrogen 2.880 N/A SER 170.A N GLN 167.A O no hydrogen 3.488 N/A SER 170.A OG GLN 167.A O no hydrogen 3.380 N/A ILE 173.A N LYS 169.A O no hydrogen 3.031 N/A LEU 174.A N SER 170.A O no hydrogen 2.873 N/A THR 175.A N ASN 171.A O no hydrogen 3.068 N/A THR 175.A OG1 ASN 171.A O no hydrogen 3.007 N/A ALA 176.A N GLU 172.A O no hydrogen 3.197 N/A ILE 177.A N ILE 173.A O no hydrogen 3.057 N/A ILE 178.A N LEU 174.A O no hydrogen 2.727 N/A GLN 179.A N THR 175.A O no hydrogen 3.026 N/A GLY 180.A N ALA 176.A O no hydrogen 2.947 N/A MET 181.A N ILE 177.A O no hydrogen 3.202 N/A ARG 182.A N GLN 179.A O no hydrogen 3.327 N/A ARG 182.A NH1 GLN 179.A O no hydrogen 3.069 N/A ARG 182.A NH1 GLU 185.A OE1 no hydrogen 3.253 N/A GLU 184.A N GLU 184.A OE1 no hydrogen 2.548 N/A GLU 185.A N ARG 182.A O no hydrogen 3.006 N/A SER 187.A N GLU 185.A OE2 no hydrogen 3.433 N/A SER 187.A OG GLU 144.A OE2 no hydrogen 2.815 N/A ASN 189.A ND2 GLU 144.A OE2 no hydrogen 3.211 N/A VAL 190.A N SER 187.A OG no hydrogen 3.258 N/A LYS 191.A N SER 187.A O no hydrogen 3.358 N/A LEU 192.A N ASN 188.A O no hydrogen 2.886 N/A ALA 193.A N ASN 189.A O no hydrogen 3.034 N/A ALA 194.A N VAL 190.A O no hydrogen 2.869 N/A THR 195.A N LYS 191.A O no hydrogen 2.860 N/A THR 195.A OG1 LYS 191.A O no hydrogen 2.743 N/A ASN 196.A N LEU 192.A O no hydrogen 2.912 N/A ALA 197.A N ALA 193.A O no hydrogen 3.057 N/A LEU 198.A N ALA 194.A O no hydrogen 3.051 N/A LEU 199.A N THR 195.A O no hydrogen 3.314 N/A ASN 200.A N ALA 197.A O no hydrogen 3.092 N/A SER 201.A N LEU 198.A O no hydrogen 2.832 N/A SER 201.A OG ALA 197.A O no hydrogen 3.365 N/A SER 201.A OG LEU 198.A O no hydrogen 2.863 N/A PHE 204.A N SER 201.A O no hydrogen 3.426 N/A THR 205.A N LEU 202.A O no hydrogen 3.496 N/A THR 205.A OG1 LEU 202.A O no hydrogen 2.834 N/A THR 205.A OG1 TYR 248.A OH no hydrogen 3.225 N/A ASN 208.A ND2 SER 170.A OG no hydrogen 2.808 N/A ASN 208.A ND2 THR 205.A O no hydrogen 3.606 N/A PHE 209.A N THR 205.A O no hydrogen 3.052 N/A ASP 210.A N LYS 206.A O no hydrogen 2.986 N/A LYS 211.A N ASN 208.A O no hydrogen 2.974 N/A LYS 211.A NZ GLU 214.A OE2 no hydrogen 3.564 N/A ARG 215.A N LYS 211.A O no hydrogen 2.786 N/A ARG 215.A NE PHE 209.A O no hydrogen 2.810 N/A ARG 215.A NH2 PHE 209.A O no hydrogen 2.719 N/A HIS 216.A N GLU 212.A O no hydrogen 2.927 N/A PHE 217.A N SER 213.A O no hydrogen 3.134 N/A ILE 218.A N GLU 214.A O no hydrogen 2.920 N/A MET 219.A N ARG 215.A O no hydrogen 2.936 N/A GLN 220.A N HIS 216.A O no hydrogen 3.000 N/A VAL 221.A N PHE 217.A O no hydrogen 3.091 N/A VAL 222.A N ILE 218.A O no hydrogen 2.904 N/A CYS 223.A N MET 219.A O no hydrogen 2.775 N/A CYS 223.A SG MET 219.A O no hydrogen 3.282 N/A GLU 224.A N GLN 220.A O no hydrogen 2.846 N/A ALA 225.A N VAL 221.A O no hydrogen 3.028 N/A THR 226.A N VAL 222.A O no hydrogen 3.199 N/A THR 226.A N CYS 223.A O no hydrogen 3.138 N/A THR 226.A OG1 CYS 223.A O no hydrogen 2.607 N/A GLN 227.A N GLU 224.A O no hydrogen 2.947 N/A GLN 227.A NE2 THR 226.A OG1 no hydrogen 2.839 N/A CYS 228.A N ALA 225.A O no hydrogen 3.231 N/A CYS 228.A SG ASN 188.A OD1 no hydrogen 3.666 N/A ARG 232.A N ASP 230.A OD1 no hydrogen 2.942 N/A ARG 232.A NE ASP 230.A OD1 no hydrogen 3.306 N/A ARG 232.A NH1 ASN 189.A OD1 no hydrogen 3.517 N/A ARG 232.A NH2 ASN 189.A OD1 no hydrogen 3.032 N/A ARG 232.A NH2 ASP 230.A OD2 no hydrogen 3.286 N/A VAL 233.A N ASP 230.A OD1 no hydrogen 3.447 N/A ARG 234.A N ASP 230.A O no hydrogen 2.998 N/A VAL 235.A N THR 231.A O no hydrogen 2.975 N/A ALA 236.A N ARG 232.A O no hydrogen 3.085 N/A ALA 237.A N VAL 233.A O no hydrogen 2.934 N/A LEU 238.A N ARG 234.A O no hydrogen 2.921 N/A GLN 239.A N VAL 235.A O no hydrogen 2.954 N/A ASN 240.A N ALA 236.A O no hydrogen 3.021 N/A LEU 241.A N ALA 237.A O no hydrogen 3.078 N/A VAL 242.A N LEU 238.A O no hydrogen 2.946 N/A LYS 243.A N GLN 239.A O no hydrogen 3.009 N/A LYS 243.A NZ LEU 199.A O no hydrogen 3.031 N/A ILE 244.A N ASN 240.A O no hydrogen 2.671 N/A MET 245.A N LEU 241.A O no hydrogen 2.846 N/A SER 246.A N VAL 242.A O no hydrogen 3.218 N/A SER 246.A OG GLU 289.A OE2 no hydrogen 3.517 N/A LEU 247.A N LYS 243.A O no hydrogen 2.833 N/A TYR 248.A N ILE 244.A O no hydrogen 2.774 N/A TYR 248.A OH LEU 202.A O no hydrogen 2.872 N/A TYR 248.A OH THR 205.A OG1 no hydrogen 3.225 N/A TYR 249.A OH GLU 290.A OE2 no hydrogen 2.570 N/A GLN 250.A NE2 THR 310.A O no hydrogen 3.451 N/A TYR 251.A N TYR 248.A O no hydrogen 2.778 N/A TYR 251.A OH ASP 210.A OD1 no hydrogen 2.674 N/A MET 252.A N TYR 249.A O no hydrogen 3.058 N/A TYR 255.A N MET 252.A O no hydrogen 2.726 N/A MET 256.A N MET 252.A O no hydrogen 2.918 N/A ALA 259.A N TYR 255.A O no hydrogen 2.947 N/A LEU 260.A N TYR 255.A O no hydrogen 3.259 N/A PHE 261.A N MET 256.A O no hydrogen 3.040 N/A ILE 263.A N ALA 259.A O no hydrogen 3.017 N/A THR 264.A N LEU 260.A O no hydrogen 2.850 N/A THR 264.A OG1 LEU 260.A O no hydrogen 2.748 N/A THR 264.A OG1 PHE 261.A O no hydrogen 3.220 N/A ILE 265.A N PHE 261.A O no hydrogen 2.931 N/A GLU 266.A N ALA 262.A O no hydrogen 3.081 N/A ALA 267.A N ILE 263.A O no hydrogen 3.031 N/A MET 268.A N THR 264.A O no hydrogen 3.095 N/A LYS 269.A N ILE 265.A O no hydrogen 3.287 N/A LYS 269.A N GLU 266.A O no hydrogen 2.860 N/A SER 270.A N ALA 267.A O no hydrogen 2.998 N/A SER 270.A OG ILE 272.A O no hydrogen 3.566 N/A ILE 272.A N SER 270.A OG no hydrogen 2.977 N/A VAL 275.A N ILE 272.A O no hydrogen 3.008 N/A ALA 276.A N ILE 272.A O no hydrogen 2.982 N/A LEU 277.A N ASP 273.A O no hydrogen 2.824 N/A GLY 279.A N VAL 275.A O no hydrogen 3.168 N/A ILE 280.A N ALA 276.A O no hydrogen 2.982 N/A GLU 281.A N LEU 277.A O no hydrogen 2.825 N/A PHE 282.A N GLN 278.A O no hydrogen 2.784 N/A TRP 283.A N GLY 279.A O no hydrogen 3.390 N/A TRP 283.A NE1 THR 264.A OG1 no hydrogen 2.936 N/A SER 284.A N ILE 280.A O no hydrogen 2.921 N/A SER 284.A OG ILE 280.A O no hydrogen 3.272 N/A ASN 285.A N GLU 281.A O no hydrogen 2.968 N/A VAL 286.A N PHE 282.A O no hydrogen 3.163 N/A CYS 287.A N TRP 283.A O no hydrogen 3.159 N/A CYS 287.A SG TRP 283.A O no hydrogen 3.462 N/A ASP 288.A N SER 284.A O no hydrogen 3.108 N/A GLU 289.A N ASN 285.A O no hydrogen 2.886 N/A GLU 290.A N VAL 286.A O no hydrogen 2.769 N/A MET 291.A N CYS 287.A O no hydrogen 2.776 N/A ASP 292.A N ASP 288.A O no hydrogen 3.168 N/A LEU 293.A N GLU 289.A O no hydrogen 3.068 N/A ALA 294.A N GLU 290.A O no hydrogen 2.951 N/A ILE 295.A N MET 291.A O no hydrogen 3.012 N/A GLU 296.A N ASP 292.A O no hydrogen 2.743 N/A ALA 297.A N LEU 293.A O no hydrogen 2.819 N/A SER 298.A N ALA 294.A O no hydrogen 2.921 N/A GLU 299.A N ILE 295.A O no hydrogen 2.874 N/A ALA 300.A N GLU 296.A O no hydrogen 3.043 N/A ALA 301.A N ALA 297.A O no hydrogen 2.845 N/A GLU 302.A N SER 298.A O no hydrogen 3.077 N/A GLN 303.A N GLU 299.A O no hydrogen 2.949 N/A GLY 304.A N ALA 301.A O no hydrogen 3.210 N/A ARG 305.A NH1 PRO 306.A O no hydrogen 3.448 N/A ARG 305.A NH1 GLU 308.A OE2 no hydrogen 3.058 N/A HIS 309.A N GLU 296.A OE2 no hydrogen 3.349 N/A LYS 312.A N TYR 249.A OH no hydrogen 2.822 N/A LYS 312.A NZ GLU 253.A OE1 no hydrogen 2.749 N/A PHE 313.A N SER 311.A OG no hydrogen 2.939 N/A TYR 314.A N GLU 290.A OE2 no hydrogen 2.846 N/A ALA 315.A N GLU 290.A OE1 no hydrogen 2.913 N/A GLY 317.A N PHE 313.A O no hydrogen 3.110 N/A ALA 318.A N TYR 314.A O no hydrogen 2.992 N/A LEU 319.A N LYS 316.A O no hydrogen 3.254 N/A TYR 321.A N ALA 318.A O no hydrogen 2.913 N/A LEU 322.A N ALA 318.A O no hydrogen 2.931 N/A VAL 323.A N LEU 319.A O no hydrogen 3.140 N/A LEU 326.A N LEU 322.A O no hydrogen 2.873 N/A THR 327.A N VAL 323.A O no hydrogen 2.838 N/A THR 327.A OG1 VAL 323.A O no hydrogen 3.342 N/A THR 327.A OG1 PRO 324.A O no hydrogen 3.307 N/A GLN 328.A N PRO 324.A O no hydrogen 3.329 N/A GLN 328.A NE2 TYR 382.A OH no hydrogen 2.506 N/A THR 329.A N ILE 325.A O no hydrogen 2.995 N/A THR 329.A OG1 ILE 325.A O no hydrogen 2.799 N/A LEU 330.A N LEU 326.A O no hydrogen 3.014 N/A LEU 330.A N THR 327.A O no hydrogen 3.226 N/A THR 331.A N GLN 328.A O no hydrogen 2.992 N/A LYS 332.A N THR 329.A O no hydrogen 2.937 N/A GLN 333.A N GLN 333.A OE1 no hydrogen 2.808 N/A GLN 333.A NE2 ARG 381.A O no hydrogen 3.252 N/A GLN 333.A NE2 ASP 384.A OD2 no hydrogen 2.446 N/A ASN 336.A N ASP 334.A OD1 no hydrogen 2.554 N/A ASP 340.A N ASP 338.A OD1 no hydrogen 2.778 N/A ASP 341.A N ASP 338.A O no hydrogen 3.400 N/A CYS 345.A SG LEU 330.A O no hydrogen 3.402 N/A LYS 346.A N ASN 343.A OD1 no hydrogen 2.869 N/A LYS 346.A NZ ASP 338.A O no hydrogen 2.618 N/A LYS 346.A NZ ASP 341.A O no hydrogen 2.770 N/A ALA 347.A N ASN 343.A O no hydrogen 3.027 N/A ALA 348.A N PRO 344.A O no hydrogen 2.744 N/A GLY 349.A N CYS 345.A O no hydrogen 3.067 N/A VAL 350.A N LYS 346.A O no hydrogen 3.058 N/A CYS 351.A N ALA 347.A O no hydrogen 2.826 N/A LEU 352.A N ALA 348.A O no hydrogen 2.804 N/A MET 353.A N GLY 349.A O no hydrogen 3.045 N/A LEU 354.A N VAL 350.A O no hydrogen 2.881 N/A LEU 355.A N CYS 351.A O no hydrogen 2.809 N/A ALA 356.A N LEU 352.A O no hydrogen 3.022 N/A THR 357.A N MET 353.A O no hydrogen 3.119 N/A THR 357.A OG1 MET 353.A O no hydrogen 3.385 N/A THR 357.A OG1 LEU 354.A O no hydrogen 3.041 N/A CYS 358.A N LEU 354.A O no hydrogen 2.964 N/A CYS 358.A SG CYS 287.A O no hydrogen 3.914 N/A CYS 359.A N LEU 355.A O no hydrogen 2.679 N/A ILE 363.A N GLU 360.A O no hydrogen 2.798 N/A VAL 364.A N ASP 361.A O no hydrogen 2.757 N/A HIS 366.A N ILE 363.A O no hydrogen 3.057 N/A HIS 366.A ND1 ASP 362.A O no hydrogen 2.882 N/A VAL 367.A N ILE 363.A O no hydrogen 3.063 N/A VAL 367.A N VAL 364.A O no hydrogen 3.151 N/A LEU 368.A N VAL 364.A O no hydrogen 2.858 N/A ILE 371.A N VAL 367.A O no hydrogen 3.142 N/A LYS 372.A N LEU 368.A O no hydrogen 2.931 N/A GLU 373.A N PRO 369.A O no hydrogen 3.000 N/A HIS 374.A N PHE 370.A O no hydrogen 3.125 N/A ILE 375.A N ILE 371.A O no hydrogen 2.849 N/A ASN 377.A N HIS 374.A O no hydrogen 2.987 N/A ARG 381.A N ASP 379.A OD1 no hydrogen 2.737 N/A ARG 381.A NH1 THR 331.A O no hydrogen 2.985 N/A ARG 381.A NH2 GLN 333.A O no hydrogen 3.020 N/A ARG 383.A N ASP 379.A O no hydrogen 3.103 N/A ARG 383.A NE ASN 377.A O no hydrogen 3.014 N/A ARG 383.A NH1 ASP 419.A OD2 no hydrogen 2.475 N/A ARG 383.A NH2 PRO 378.A O no hydrogen 2.831 N/A ASP 384.A N TRP 380.A O no hydrogen 2.889 N/A ALA 385.A N ARG 381.A O no hydrogen 3.060 N/A ALA 386.A N TYR 382.A O no hydrogen 2.937 N/A VAL 387.A N ARG 383.A O no hydrogen 3.128 N/A MET 388.A N ASP 384.A O no hydrogen 2.806 N/A ALA 389.A N ALA 385.A O no hydrogen 2.853 N/A PHE 390.A N ALA 386.A O no hydrogen 3.011 N/A GLY 391.A N VAL 387.A O no hydrogen 2.918 N/A CYS 392.A N MET 388.A O no hydrogen 2.786 N/A CYS 392.A SG GLY 349.A O no hydrogen 3.589 N/A CYS 392.A SG MET 388.A O no hydrogen 3.098 N/A ILE 393.A N PHE 390.A O no hydrogen 3.378 N/A GLU 398.A N ASP 361.A OD1 no hydrogen 2.943 N/A GLN 401.A N GLU 398.A O no hydrogen 2.837 N/A LEU 402.A N GLU 398.A O no hydrogen 3.010 N/A LYS 403.A N PRO 399.A O no hydrogen 2.666 N/A LYS 403.A NZ GLU 441.A OE1 no hydrogen 3.241 N/A LYS 403.A NZ GLU 441.A OE2 no hydrogen 3.487 N/A VAL 406.A N LEU 402.A O no hydrogen 2.914 N/A ILE 407.A N LYS 403.A O no hydrogen 2.741 N/A GLN 408.A N PRO 404.A O no hydrogen 2.946 N/A ALA 409.A N LEU 405.A O no hydrogen 3.042 N/A ALA 409.A N VAL 406.A O no hydrogen 3.014 N/A MET 410.A N VAL 406.A O no hydrogen 3.103 N/A LEU 413.A N ALA 409.A O no hydrogen 3.014 N/A ILE 414.A N MET 410.A O no hydrogen 2.972 N/A GLU 415.A N PRO 411.A O no hydrogen 3.216 N/A LEU 416.A N THR 412.A O no hydrogen 2.695 N/A MET 417.A N LEU 413.A O no hydrogen 2.932 N/A LYS 418.A N GLU 415.A O no hydrogen 2.681 N/A LYS 418.A NZ GLU 458.A OE1 no hydrogen 2.825 N/A ASP 419.A N LEU 416.A O no hydrogen 2.858 N/A SER 421.A N ASP 419.A OD1 no hydrogen 2.859 N/A VAL 423.A N SER 421.A OG no hydrogen 3.228 N/A VAL 424.A N SER 421.A OG no hydrogen 3.397 N/A ARG 425.A N SER 421.A O no hydrogen 3.270 N/A ARG 425.A NH1 ASP 419.A O no hydrogen 2.881 N/A ARG 425.A NH2 GLU 463.A OE2 no hydrogen 2.671 N/A ASP 426.A N VAL 422.A O no hydrogen 2.969 N/A THR 427.A N VAL 423.A O no hydrogen 3.075 N/A THR 427.A OG1 ASP 384.A OD1 no hydrogen 2.390 N/A THR 427.A OG1 VAL 423.A O no hydrogen 3.069 N/A ALA 428.A N VAL 424.A O no hydrogen 2.738 N/A ALA 429.A N ARG 425.A O no hydrogen 2.791 N/A TRP 430.A N ASP 426.A O no hydrogen 3.227 N/A THR 431.A N THR 427.A O no hydrogen 2.875 N/A THR 431.A OG1 VAL 387.A O no hydrogen 3.544 N/A THR 431.A OG1 THR 427.A O no hydrogen 3.118 N/A VAL 432.A N ALA 428.A O no hydrogen 2.997 N/A GLY 433.A N ALA 429.A O no hydrogen 3.246 N/A ARG 434.A N TRP 430.A O no hydrogen 2.958 N/A ARG 434.A NE GLY 391.A O no hydrogen 3.124 N/A ARG 434.A NH2 GLY 391.A O no hydrogen 3.126 N/A ILE 435.A N THR 431.A O no hydrogen 2.941 N/A CYS 436.A N VAL 432.A O no hydrogen 3.117 N/A CYS 436.A SG VAL 432.A O no hydrogen 3.515 N/A GLU 437.A N GLY 433.A O no hydrogen 3.175 N/A GLU 437.A N ARG 434.A O no hydrogen 3.141 N/A LEU 438.A N ARG 434.A O no hydrogen 2.834 N/A LEU 439.A N ILE 435.A O no hydrogen 2.695 N/A ALA 442.A N LEU 439.A O no hydrogen 3.039 N/A ALA 443.A N PRO 440.A O no hydrogen 2.622 N/A ILE 444.A N PRO 440.A O no hydrogen 2.796 N/A ASN 445.A N ALA 443.A O no hydrogen 2.630 N/A VAL 447.A N ASN 445.A OD1 no hydrogen 2.561 N/A TYR 448.A N ASN 445.A OD1 no hydrogen 2.412 N/A LEU 449.A N ASN 445.A O no hydrogen 3.273 N/A LEU 452.A N TYR 448.A O no hydrogen 2.852 N/A LEU 453.A N LEU 449.A O no hydrogen 3.269 N/A GLN 454.A N ALA 450.A O no hydrogen 3.005 N/A CYS 455.A N PRO 451.A O no hydrogen 3.037 N/A CYS 455.A SG PRO 451.A O no hydrogen 3.574 N/A LEU 456.A N LEU 452.A O no hydrogen 2.820 N/A ILE 457.A N LEU 453.A O no hydrogen 2.818 N/A GLU 458.A N GLN 454.A O no hydrogen 3.066 N/A GLY 459.A N CYS 455.A O no hydrogen 2.708 N/A LEU 460.A N LEU 456.A O no hydrogen 3.191 N/A LEU 460.A N ILE 457.A O no hydrogen 3.083 N/A SER 461.A N GLU 458.A O no hydrogen 3.135 N/A ALA 462.A N GLY 459.A O no hydrogen 2.706 N/A GLU 463.A N GLU 463.A OE1 no hydrogen 2.383 N/A ARG 465.A NE ASP 426.A OD2 no hydrogen 3.130 N/A VAL 466.A N GLU 463.A O no hydrogen 2.887 N/A ALA 467.A N GLU 463.A O no hydrogen 2.703 N/A SER 468.A N PRO 464.A O no hydrogen 2.699 N/A SER 468.A OG ASN 522.A O no hydrogen 3.072 N/A SER 468.A OG SER 527.A OG no hydrogen 2.927 N/A ASN 469.A ND2 ASP 426.A O no hydrogen 3.074 N/A VAL 470.A N VAL 466.A O no hydrogen 2.709 N/A CYS 471.A N ALA 467.A O no hydrogen 2.900 N/A CYS 471.A SG ALA 467.A O no hydrogen 3.494 N/A TRP 472.A N SER 468.A O no hydrogen 3.219 N/A ALA 473.A N ASN 469.A O no hydrogen 2.936 N/A PHE 474.A N VAL 470.A O no hydrogen 2.872 N/A SER 475.A N CYS 471.A O no hydrogen 2.868 N/A SER 475.A OG GLU 479.A OE2 no hydrogen 2.898 N/A SER 476.A N TRP 472.A O no hydrogen 3.055 N/A SER 476.A N ALA 473.A O no hydrogen 2.906 N/A SER 476.A OG TRP 472.A O no hydrogen 3.231 N/A LEU 477.A N ALA 473.A O no hydrogen 2.913 N/A ALA 478.A N PHE 474.A O no hydrogen 3.030 N/A GLU 479.A N SER 475.A O no hydrogen 3.383 N/A ALA 480.A N SER 476.A O no hydrogen 2.773 N/A ALA 481.A N LEU 477.A O no hydrogen 2.799 N/A GLU 483.A N GLU 479.A O no hydrogen 3.121 N/A ASP 490.A N VAL 487.A O no hydrogen 3.179 N/A SER 500.A OG TYR 497.A O no hydrogen 3.443 N/A SER 502.A N LEU 499.A O no hydrogen 2.458 N/A SER 502.A OG LEU 499.A O no hydrogen 3.222 N/A PHE 503.A N SER 500.A O no hydrogen 3.427 N/A ILE 506.A N SER 502.A O no hydrogen 3.152 N/A VAL 507.A N PHE 503.A O no hydrogen 3.192 N/A GLN 508.A N GLU 504.A O no hydrogen 3.042 N/A GLN 508.A NE2 GLU 504.A O no hydrogen 3.356 N/A LYS 509.A N LEU 505.A O no hydrogen 3.155 N/A LEU 510.A N ILE 506.A O no hydrogen 2.904 N/A LEU 511.A N VAL 507.A O no hydrogen 2.903 N/A GLU 512.A N GLN 508.A O no hydrogen 2.913 N/A THR 513.A N LYS 509.A O no hydrogen 2.765 N/A THR 513.A OG1 LYS 509.A O no hydrogen 3.069 N/A THR 514.A N LEU 510.A O no hydrogen 2.865 N/A ASP 515.A N GLU 512.A O no hydrogen 2.606 N/A ARG 516.A NH1 ALA 462.A O no hydrogen 3.184 N/A ARG 516.A NH2 ALA 462.A O no hydrogen 3.043 N/A LEU 524.A N GLN 521.A O no hydrogen 3.282 N/A ARG 525.A N HIS 520.A NE2 no hydrogen 3.372 N/A SER 527.A N ASN 523.A O no hydrogen 3.046 N/A SER 527.A OG SER 468.A OG no hydrogen 2.927 N/A SER 527.A OG ASN 523.A O no hydrogen 2.668 N/A SER 527.A OG ASN 523.A OD1 no hydrogen 2.947 N/A ALA 528.A N LEU 524.A O no hydrogen 2.807 N/A TYR 529.A N ARG 525.A O no hydrogen 3.001 N/A GLU 530.A N SER 526.A O no hydrogen 2.920 N/A SER 531.A N SER 527.A O no hydrogen 2.740 N/A SER 531.A OG CYS 471.A O no hydrogen 3.160 N/A LEU 532.A N ALA 528.A O no hydrogen 2.711 N/A MET 533.A N TYR 529.A O no hydrogen 2.855 N/A GLU 534.A N GLU 530.A O no hydrogen 3.084 N/A ILE 535.A N SER 531.A O no hydrogen 2.831 N/A VAL 536.A N LEU 532.A O no hydrogen 3.053 N/A LYS 537.A N MET 533.A O no hydrogen 3.204 N/A ASN 538.A N GLU 534.A O no hydrogen 2.957 N/A ASN 538.A ND2 GLU 534.A O no hydrogen 2.696 N/A ASN 538.A ND2 GLU 534.A OE2 no hydrogen 2.540 N/A SER 539.A N VAL 536.A O no hydrogen 2.907 N/A SER 539.A OG VAL 536.A O no hydrogen 2.431 N/A LYS 541.A N ALA 495.A O no hydrogen 3.032 N/A ASP 542.A N ALA 495.A O no hydrogen 3.076 N/A TYR 544.A N LYS 541.A O no hydrogen 2.639 N/A TYR 544.A OH ASP 599.A OD2 no hydrogen 2.530 N/A VAL 547.A N CYS 543.A O no hydrogen 2.938 N/A GLN 548.A N TYR 544.A O no hydrogen 2.686 N/A LYS 549.A N PRO 545.A O no hydrogen 3.273 N/A THR 550.A N ALA 546.A O no hydrogen 3.069 N/A THR 550.A OG1 ALA 546.A O no hydrogen 3.013 N/A THR 551.A N VAL 547.A O no hydrogen 2.960 N/A THR 551.A N GLN 548.A O no hydrogen 3.053 N/A THR 551.A OG1 VAL 547.A O no hydrogen 3.014 N/A LEU 552.A N GLN 548.A O no hydrogen 3.368 N/A VAL 553.A N LYS 549.A O no hydrogen 3.031 N/A ILE 554.A N THR 550.A O no hydrogen 3.002 N/A MET 555.A N THR 551.A O no hydrogen 3.228 N/A GLU 556.A N LEU 552.A O no hydrogen 2.924 N/A ARG 557.A N VAL 553.A O no hydrogen 2.797 N/A ARG 557.A NH2 LEU 511.A O no hydrogen 3.118 N/A LEU 558.A N ILE 554.A O no hydrogen 2.740 N/A GLN 559.A N MET 555.A O no hydrogen 2.832 N/A GLN 559.A N GLU 556.A O no hydrogen 2.928 N/A GLN 560.A N GLU 556.A O no hydrogen 2.766 N/A VAL 561.A N ARG 557.A O no hydrogen 3.016 N/A MET 564.A N VAL 561.A O no hydrogen 3.012 N/A HIS 567.A N MET 564.A O no hydrogen 3.409 N/A GLN 569.A N HIS 567.A O no hydrogen 3.156 N/A SER 570.A N GLN 569.A OE1 no hydrogen 3.215 N/A SER 570.A OG SER 572.A OG no hydrogen 3.286 N/A SER 572.A OG SER 570.A O no hydrogen 3.482 N/A SER 572.A OG SER 570.A OG no hydrogen 3.286 N/A SER 572.A OG ASP 573.A OD2 no hydrogen 3.486 N/A ASP 573.A N SER 570.A O no hydrogen 3.035 N/A ASN 578.A N ARG 574.A O no hydrogen 2.900 N/A ASP 579.A N ILE 575.A O no hydrogen 3.359 N/A LEU 580.A N GLN 576.A O no hydrogen 3.019 N/A GLN 581.A N PHE 577.A O no hydrogen 3.140 N/A SER 582.A N ASN 578.A O no hydrogen 3.109 N/A SER 582.A OG ASP 623.A OD2 no hydrogen 2.397 N/A LEU 583.A N ASP 579.A O no hydrogen 2.758 N/A LEU 584.A N LEU 580.A O no hydrogen 2.975 N/A CYS 585.A N GLN 581.A O no hydrogen 2.996 N/A CYS 585.A SG GLN 581.A O no hydrogen 3.337 N/A ALA 586.A N SER 582.A O no hydrogen 3.229 N/A THR 587.A N LEU 583.A O no hydrogen 3.155 N/A THR 587.A OG1 LEU 583.A O no hydrogen 2.710 N/A LEU 588.A N LEU 584.A O no hydrogen 2.816 N/A GLN 589.A N CYS 585.A O no hydrogen 3.109 N/A GLN 589.A NE2 CYS 585.A O no hydrogen 3.398 N/A ASN 590.A N THR 587.A O no hydrogen 2.822 N/A VAL 591.A N THR 587.A O no hydrogen 3.205 N/A LEU 592.A N LEU 588.A O no hydrogen 3.038 N/A LYS 594.A N VAL 591.A O no hydrogen 2.809 N/A LYS 594.A NZ LYS 537.A O no hydrogen 3.399 N/A LYS 594.A NZ SER 539.A O no hydrogen 2.806 N/A VAL 595.A N VAL 591.A O no hydrogen 3.018 N/A GLN 596.A N ASP 599.A OD2 no hydrogen 2.643 N/A GLN 596.A NE2 TYR 544.A OH no hydrogen 3.468 N/A ALA 600.A N HIS 597.A O no hydrogen 3.089 N/A LEU 601.A N HIS 597.A O no hydrogen 3.275 N/A GLN 602.A N GLN 598.A O no hydrogen 2.919 N/A ILE 603.A N ALA 600.A O no hydrogen 3.132 N/A SER 604.A N ALA 600.A O no hydrogen 2.568 N/A SER 604.A OG LEU 601.A O no hydrogen 3.518 N/A SER 604.A OG TYR 642.A OH no hydrogen 2.930 N/A VAL 606.A N ILE 603.A O no hydrogen 2.725 N/A VAL 607.A N ILE 603.A O no hydrogen 3.168 N/A MET 608.A N SER 604.A O no hydrogen 3.050 N/A SER 610.A N VAL 606.A O no hydrogen 3.032 N/A SER 610.A OG VAL 606.A O no hydrogen 3.228 N/A LEU 611.A N VAL 607.A O no hydrogen 2.573 N/A LEU 612.A N MET 608.A O no hydrogen 2.689 N/A ARG 613.A N ALA 609.A O no hydrogen 3.142 N/A MET 614.A N SER 610.A O no hydrogen 3.268 N/A PHE 615.A N LEU 611.A O no hydrogen 3.328 N/A SER 617.A OG ASN 578.A OD1 no hydrogen 3.505 N/A GLU 622.A N GLY 618.A O no hydrogen 3.412 N/A ASP 623.A N GLY 619.A O no hydrogen 3.349 N/A ALA 624.A N VAL 620.A O no hydrogen 2.678 N/A LEU 625.A N GLN 621.A O no hydrogen 2.793 N/A MET 626.A N GLU 622.A O no hydrogen 3.115 N/A ALA 627.A N ASP 623.A O no hydrogen 2.909 N/A VAL 628.A N ALA 624.A O no hydrogen 2.812 N/A SER 629.A N LEU 625.A O no hydrogen 2.860 N/A SER 629.A OG ASP 672.A OD2 no hydrogen 2.876 N/A THR 630.A N MET 626.A O no hydrogen 3.122 N/A LEU 631.A N ALA 627.A O no hydrogen 3.020 N/A VAL 632.A N VAL 628.A O no hydrogen 2.724 N/A GLU 633.A N SER 629.A O no hydrogen 2.929 N/A VAL 634.A N THR 630.A O no hydrogen 3.003 N/A LEU 635.A N LEU 631.A O no hydrogen 2.699 N/A GLY 636.A N VAL 632.A O no hydrogen 2.964 N/A PHE 639.A N GLY 636.A O no hydrogen 2.972 N/A LEU 640.A N GLY 637.A O no hydrogen 2.923 N/A TYR 642.A N PHE 639.A O no hydrogen 2.930 N/A TYR 642.A OH SER 604.A OG no hydrogen 2.930 N/A TYR 642.A OH ASP 605.A OD1 no hydrogen 2.712 N/A MET 643.A N LEU 640.A O no hydrogen 3.265 N/A PHE 646.A N TYR 642.A O no hydrogen 2.810 N/A LYS 647.A N MET 643.A O no hydrogen 2.959 N/A PHE 649.A N PHE 646.A O no hydrogen 2.980 N/A LEU 650.A N PHE 646.A O no hydrogen 3.082 N/A GLY 651.A N LYS 647.A O no hydrogen 3.077 N/A ILE 652.A N PRO 648.A O no hydrogen 3.159 N/A GLY 653.A N PHE 649.A O no hydrogen 3.074 N/A LEU 654.A N LEU 650.A O no hydrogen 3.273 N/A LYS 655.A N GLY 651.A O no hydrogen 2.992 N/A ASN 656.A N ILE 652.A O no hydrogen 3.119 N/A ALA 658.A N ASN 656.A O no hydrogen 2.412 N/A CYS 663.A N GLU 659.A O no hydrogen 3.338 N/A CYS 663.A SG LEU 654.A O no hydrogen 3.766 N/A LEU 664.A N TYR 660.A O no hydrogen 2.805 N/A ALA 665.A N GLN 661.A O no hydrogen 3.177 N/A ALA 666.A N VAL 662.A O no hydrogen 3.140 N/A VAL 667.A N CYS 663.A O no hydrogen 3.083 N/A GLY 668.A N LEU 664.A O no hydrogen 2.949 N/A LEU 669.A N ALA 665.A O no hydrogen 2.754 N/A VAL 670.A N ALA 666.A O no hydrogen 2.902 N/A GLY 671.A N VAL 667.A O no hydrogen 3.304 N/A ASP 672.A N GLY 668.A O no hydrogen 3.246 N/A LEU 673.A N LEU 669.A O no hydrogen 2.798 N/A CYS 674.A N VAL 670.A O no hydrogen 2.815 N/A CYS 674.A SG VAL 670.A O no hydrogen 3.337 N/A ARG 675.A N GLY 671.A O no hydrogen 3.311 N/A ARG 675.A NH2 ASP 715.A OD1 no hydrogen 3.199 N/A ALA 676.A N ASP 672.A O no hydrogen 2.949 N/A LEU 677.A N LEU 673.A O no hydrogen 2.807 N/A GLN 678.A N CYS 674.A O no hydrogen 2.886 N/A ASN 680.A N LEU 677.A O no hydrogen 3.171 N/A ASN 680.A ND2 LEU 677.A O no hydrogen 3.255 N/A ILE 681.A N GLN 678.A O no hydrogen 3.125 N/A ILE 682.A N SER 679.A O no hydrogen 2.952 N/A PHE 684.A N ILE 681.A O no hydrogen 2.917 N/A CYS 685.A N ILE 682.A O no hydrogen 3.085 N/A CYS 685.A SG ILE 681.A O no hydrogen 3.276 N/A VAL 688.A N PHE 684.A O no hydrogen 3.329 N/A MET 689.A N CYS 685.A O no hydrogen 2.835 N/A GLN 690.A N ASP 686.A O no hydrogen 3.143 N/A LEU 691.A N GLU 687.A O no hydrogen 3.121 N/A LEU 692.A N VAL 688.A O no hydrogen 2.930 N/A LEU 693.A N MET 689.A O no hydrogen 2.981 N/A GLU 694.A N GLN 690.A O no hydrogen 3.117 N/A ASN 695.A N LEU 691.A O no hydrogen 2.982 N/A LEU 696.A N LEU 692.A O no hydrogen 3.135 N/A GLY 697.A N LEU 693.A O no hydrogen 3.150 N/A ASN 698.A N ASN 695.A O no hydrogen 3.013 N/A ASN 700.A N ASN 698.A OD1 no hydrogen 3.018 N/A ASN 700.A ND2 ASN 698.A OD1 no hydrogen 3.327 N/A VAL 701.A N ASN 698.A O no hydrogen 3.033 N/A ARG 703.A NH2 ASP 69.A OD2 no hydrogen 3.517 N/A VAL 705.A N HIS 702.A O no hydrogen 3.343 N/A LYS 706.A N ARG 703.A O no hydrogen 3.218 N/A ILE 709.A N VAL 705.A O no hydrogen 3.070 N/A LEU 710.A N LYS 706.A O no hydrogen 3.027 N/A SER 711.A N PRO 707.A O no hydrogen 3.081 N/A SER 711.A OG GLU 763.A OE1 no hydrogen 2.867 N/A VAL 712.A N GLN 708.A O no hydrogen 3.225 N/A VAL 712.A N ILE 709.A O no hydrogen 2.960 N/A PHE 713.A N ILE 709.A O no hydrogen 3.158 N/A PHE 713.A N LEU 710.A O no hydrogen 3.119 N/A GLY 714.A N SER 711.A O no hydrogen 3.235 N/A ASP 715.A N SER 711.A O no hydrogen 3.416 N/A ILE 716.A N VAL 712.A O no hydrogen 2.853 N/A ALA 717.A N PHE 713.A O no hydrogen 2.943 N/A LEU 718.A N GLY 714.A O no hydrogen 3.033 N/A ALA 719.A N ASP 715.A O no hydrogen 2.974 N/A ILE 720.A N ILE 716.A O no hydrogen 2.775 N/A GLY 721.A N ALA 717.A O no hydrogen 2.744 N/A GLU 723.A N ILE 720.A O no hydrogen 3.206 N/A PHE 724.A N GLY 721.A O no hydrogen 2.737 N/A LYS 725.A N GLY 722.A O no hydrogen 2.991 N/A LYS 725.A NZ GLY 722.A O no hydrogen 2.659 N/A LYS 726.A NZ ASP 686.A OD1 no hydrogen 3.282 N/A TYR 727.A N PHE 724.A O no hydrogen 3.051 N/A LEU 728.A N LYS 725.A O no hydrogen 3.189 N/A VAL 731.A N TYR 727.A O no hydrogen 2.754 N/A LEU 732.A N LEU 728.A O no hydrogen 2.767 N/A ASN 733.A N GLU 729.A O no hydrogen 3.092 N/A THR 734.A N VAL 730.A O no hydrogen 3.058 N/A THR 734.A OG1 VAL 730.A O no hydrogen 3.055 N/A LEU 735.A N VAL 731.A O no hydrogen 2.821 N/A GLN 736.A N LEU 732.A O no hydrogen 2.865 N/A GLN 737.A N ASN 733.A O no hydrogen 3.180 N/A ALA 738.A N THR 734.A O no hydrogen 2.961 N/A SER 739.A N LEU 735.A O no hydrogen 2.896 N/A SER 739.A OG LEU 735.A O no hydrogen 3.055 N/A SER 739.A OG GLN 736.A O no hydrogen 2.612 N/A GLN 740.A N GLN 737.A O no hydrogen 2.899 N/A ALA 741.A N ALA 738.A O no hydrogen 2.664 N/A LYS 745.A NZ ASP 803.A OD1 no hydrogen 2.896 N/A ASP 747.A N ASP 744.A O no hydrogen 2.877 N/A ASP 749.A N ASP 747.A OD1 no hydrogen 2.965 N/A VAL 751.A N ASP 747.A O no hydrogen 2.895 N/A ASP 752.A N TYR 748.A O no hydrogen 3.100 N/A TYR 753.A N ASP 749.A O no hydrogen 3.144 N/A TYR 753.A OH ARG 703.A O no hydrogen 2.861 N/A LEU 754.A N MET 750.A O no hydrogen 2.907 N/A ASN 755.A N VAL 751.A O no hydrogen 2.981 N/A ASN 755.A ND2 VAL 751.A O no hydrogen 3.237 N/A GLU 756.A N ASP 752.A O no hydrogen 2.937 N/A LEU 757.A N TYR 753.A O no hydrogen 2.914 N/A ARG 758.A N LEU 754.A O no hydrogen 2.821 N/A ARG 758.A NH1 ASP 803.A OD2 no hydrogen 2.976 N/A GLU 759.A N ASN 755.A O no hydrogen 2.866 N/A SER 760.A N GLU 756.A O no hydrogen 2.897 N/A SER 760.A OG LEU 757.A O no hydrogen 2.725 N/A CYS 761.A N LEU 757.A O no hydrogen 2.890 N/A CYS 761.A SG LEU 757.A O no hydrogen 3.572 N/A LEU 762.A N ARG 758.A O no hydrogen 3.050 N/A GLU 763.A N GLU 759.A O no hydrogen 2.923 N/A ALA 764.A N SER 760.A O no hydrogen 2.976 N/A TYR 765.A N CYS 761.A O no hydrogen 2.957 N/A THR 766.A N LEU 762.A O no hydrogen 3.009 N/A THR 766.A OG1 LEU 762.A O no hydrogen 2.894 N/A THR 766.A OG1 ASP 820.A OD2 no hydrogen 3.511 N/A GLY 767.A N GLU 763.A O no hydrogen 2.798 N/A ILE 768.A N ALA 764.A O no hydrogen 2.810 N/A VAL 769.A N TYR 765.A O no hydrogen 2.880 N/A GLN 770.A N THR 766.A O no hydrogen 3.014 N/A GLY 771.A N GLY 767.A O no hydrogen 2.832 N/A LEU 772.A N ILE 768.A O no hydrogen 2.961 N/A LYS 773.A N VAL 769.A O no hydrogen 2.980 N/A LYS 773.A NZ THR 823.A OG1 no hydrogen 2.777 N/A GLY 774.A N GLN 770.A O no hydrogen 3.108 N/A GLN 776.A NE2 ASP 775.A OD2 no hydrogen 3.498 N/A HIS 780.A N LYS 773.A O no hydrogen 3.037 N/A VAL 783.A N HIS 780.A O no hydrogen 3.039 N/A MET 784.A N PRO 781.A O no hydrogen 2.728 N/A LEU 785.A N ASP 782.A O no hydrogen 2.830 N/A VAL 786.A N VAL 783.A O no hydrogen 2.946 N/A GLN 787.A N MET 784.A O no hydrogen 3.134 N/A ARG 789.A N VAL 786.A O no hydrogen 2.859 N/A VAL 790.A N GLN 787.A O no hydrogen 3.221 N/A ILE 793.A N ARG 789.A O no hydrogen 3.116 N/A LEU 794.A N VAL 790.A O no hydrogen 2.927 N/A SER 795.A N GLU 791.A O no hydrogen 2.748 N/A PHE 796.A N PHE 792.A O no hydrogen 2.691 N/A ILE 797.A N ILE 793.A O no hydrogen 2.889 N/A ASP 798.A N LEU 794.A O no hydrogen 2.831 N/A HIS 799.A N SER 795.A O no hydrogen 2.918 N/A ILE 800.A N PHE 796.A O no hydrogen 3.070 N/A ALA 801.A N ILE 797.A O no hydrogen 2.761 N/A GLY 802.A N ASP 798.A O no hydrogen 2.919 N/A HIS 806.A ND1 GLU 845.A OE2 no hydrogen 3.166 N/A GLY 809.A N THR 807.A OG1 no hydrogen 3.425 N/A VAL 811.A N THR 807.A O no hydrogen 2.977 N/A ALA 812.A N ASP 808.A O no hydrogen 2.786 N/A CYS 813.A N GLY 809.A O no hydrogen 3.131 N/A CYS 813.A SG GLU 759.A OE2 no hydrogen 3.509 N/A CYS 813.A SG GLY 809.A O no hydrogen 3.430 N/A ALA 814.A N VAL 810.A O no hydrogen 2.910 N/A ALA 815.A N VAL 811.A O no hydrogen 2.958 N/A GLY 816.A N ALA 812.A O no hydrogen 2.893 N/A LEU 817.A N CYS 813.A O no hydrogen 2.944 N/A ILE 818.A N ALA 814.A O no hydrogen 3.026 N/A GLY 819.A N ALA 815.A O no hydrogen 3.082 N/A ASP 820.A N GLY 816.A O no hydrogen 3.040 N/A LEU 821.A N LEU 817.A O no hydrogen 2.948 N/A CYS 822.A N ILE 818.A O no hydrogen 3.077 N/A CYS 822.A SG ILE 818.A O no hydrogen 3.423 N/A THR 823.A N GLY 819.A O no hydrogen 3.268 N/A ALA 824.A N ASP 820.A O no hydrogen 2.927 N/A PHE 825.A N LEU 821.A O no hydrogen 2.701 N/A GLY 826.A N CYS 822.A O no hydrogen 2.830 N/A VAL 829.A N GLY 826.A O no hydrogen 2.822 N/A LEU 830.A N LYS 827.A O no hydrogen 2.899 N/A LYS 831.A NZ ASP 828.A OD1 no hydrogen 2.558 N/A VAL 833.A N VAL 829.A O no hydrogen 3.057 N/A GLU 834.A N LEU 830.A O no hydrogen 2.919 N/A ALA 835.A N LYS 831.A O no hydrogen 2.770 N/A ARG 836.A N VAL 833.A O no hydrogen 2.875 N/A ARG 836.A NH1 ASP 798.A OD2 no hydrogen 2.722 N/A ILE 839.A N ARG 836.A O no hydrogen 2.955 N/A GLU 841.A N PRO 837.A O no hydrogen 3.410 N/A LEU 842.A N MET 838.A O no hydrogen 3.013 N/A LEU 843.A N ILE 839.A O no hydrogen 3.022 N/A THR 844.A N HIS 840.A O no hydrogen 3.085 N/A GLU 845.A N GLU 841.A O no hydrogen 2.839 N/A GLY 846.A N LEU 842.A O no hydrogen 2.856 N/A ARG 847.A N LEU 843.A O no hydrogen 2.960 N/A ARG 848.A N GLU 845.A O no hydrogen 3.231 N/A SER 849.A N GLU 845.A O no hydrogen 3.115 N/A SER 849.A OG ASP 808.A OD1 no hydrogen 2.647 N/A THR 851.A N SER 849.A OG no hydrogen 2.988 N/A LYS 855.A N THR 851.A O no hydrogen 2.883 N/A THR 856.A N ASN 852.A O no hydrogen 2.635 N/A THR 856.A OG1 ASN 852.A O no hydrogen 2.655 N/A LEU 857.A N LYS 853.A O no hydrogen 3.094 N/A ALA 858.A N ALA 854.A O no hydrogen 3.143 N/A ARG 859.A N LYS 855.A O no hydrogen 3.243 N/A TRP 860.A N THR 856.A O no hydrogen 2.761 N/A ALA 861.A N LEU 857.A O no hydrogen 2.870 N/A THR 862.A N ALA 858.A O no hydrogen 3.069 N/A THR 862.A OG1 ALA 858.A O no hydrogen 2.798 N/A LYS 863.A N ARG 859.A O no hydrogen 3.056 N/A GLU 864.A N TRP 860.A O no hydrogen 3.006 N/A LEU 865.A N ALA 861.A O no hydrogen 3.038 N/A ARG 866.A N THR 862.A O no hydrogen 3.152 N/A LYS 867.A N LYS 863.A O no hydrogen 3.085 N/A LYS 867.A NZ GLU 864.A OE2 no hydrogen 3.085 N/A LEU 868.A N GLU 864.A O no hydrogen 3.296 N/A LEU 868.A N LEU 865.A O no hydrogen 3.224 N/A LYS 869.A N LEU 865.A O no hydrogen 3.206 N/A ASN 870.A N ARG 866.A O no hydrogen 2.928 N/A