Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u44_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLU 228.A O no hydrogen 3.212 N/A ALA 2.A N ASP 271.A O no hydrogen 2.995 N/A GLU 3.A N ILE 230.A O no hydrogen 2.830 N/A PHE 4.A N THR 273.A O no hydrogen 2.950 N/A LEU 5.A N PHE 232.A O no hydrogen 2.889 N/A VAL 6.A N LYS 275.A O no hydrogen 2.980 N/A GLY 7.A N LEU 234.A O no hydrogen 3.241 N/A ARG 8.A NE ASP 237.A OD2 no hydrogen 3.080 N/A ARG 8.A NH1 GLU 293.A O no hydrogen 2.850 N/A ARG 8.A NH1 GLU 293.A OE1 no hydrogen 2.609 N/A SER 9.A N TYR 636.A OH no hydrogen 3.364 N/A SER 9.A OG SER 640.A OG no hydrogen 2.787 N/A SER 11.A OG ARG 8.A O no hydrogen 2.825 N/A LYS 13.A NZ GLY 7.A O no hydrogen 2.746 N/A LYS 13.A NZ ARG 8.A O no hydrogen 2.745 N/A LYS 13.A NZ SER 11.A OG no hydrogen 3.111 N/A THR 14.A OG1 ASP 207.A OD2 no hydrogen 2.769 N/A LEU 16.A N GLY 12.A O no hydrogen 2.934 N/A ILE 17.A N LYS 13.A O no hydrogen 2.920 N/A ILE 18.A N THR 14.A O no hydrogen 2.843 N/A ASN 19.A N LYS 15.A O no hydrogen 2.855 N/A SER 20.A N LEU 16.A O no hydrogen 3.308 N/A SER 20.A OG LEU 16.A O no hydrogen 2.882 N/A ILE 21.A N ILE 17.A O no hydrogen 3.122 N/A GLN 22.A N ILE 18.A O no hydrogen 3.031 N/A GLN 22.A NE2 LEU 50.A O no hydrogen 2.999 N/A ASP 23.A N ASN 19.A O no hydrogen 2.868 N/A GLU 24.A N SER 20.A O no hydrogen 2.832 N/A LEU 25.A N ILE 21.A O no hydrogen 2.907 N/A ARG 26.A N GLN 22.A O no hydrogen 2.793 N/A ARG 26.A NE ASP 23.A OD1 no hydrogen 3.096 N/A ARG 27.A N ASP 23.A O no hydrogen 2.750 N/A ALA 28.A N GLU 24.A O no hydrogen 3.215 N/A GLY 31.A N ALA 28.A O no hydrogen 2.923 N/A ILE 34.A N ARG 61.A O no hydrogen 2.900 N/A ILE 35.A N HIS 203.A O no hydrogen 2.836 N/A PHE 36.A N GLN 63.A O no hydrogen 2.828 N/A LEU 37.A N TYR 205.A O no hydrogen 2.611 N/A VAL 38.A N PHE 65.A O no hydrogen 3.005 N/A MET 42.A N PRO 39.A O no hydrogen 2.937 N/A THR 43.A OG1 ASP 40.A O no hydrogen 2.792 N/A MET 46.A N MET 42.A O no hydrogen 3.284 N/A GLU 47.A N THR 43.A O no hydrogen 3.089 N/A TYR 48.A N PHE 44.A O no hydrogen 3.314 N/A GLU 49.A N LEU 45.A O no hydrogen 3.265 N/A LEU 50.A N MET 46.A O no hydrogen 2.878 N/A ALA 51.A N GLU 47.A O no hydrogen 3.475 N/A LYS 52.A N GLU 49.A O no hydrogen 2.856 N/A LYS 52.A NZ GLU 49.A OE1 no hydrogen 2.920 N/A THR 53.A N ALA 51.A O no hydrogen 3.140 N/A GLY 57.A N THR 53.A OG1 no hydrogen 2.772 N/A ARG 61.A NE LYS 32.A O no hydrogen 2.643 N/A ARG 61.A NH1 ALA 28.A O no hydrogen 2.983 N/A GLN 63.A N ILE 34.A O no hydrogen 2.823 N/A PHE 65.A N PHE 36.A O no hydrogen 2.753 N/A ARG 69.A NH1 GLU 47.A OE2 no hydrogen 3.522 N/A LEU 70.A N SER 66.A O no hydrogen 2.907 N/A ALA 71.A N PHE 67.A O no hydrogen 3.130 N/A TRP 72.A N SER 68.A O no hydrogen 2.768 N/A ARG 73.A N ARG 69.A O no hydrogen 2.907 N/A VAL 74.A N LEU 70.A O no hydrogen 3.063 N/A LEU 75.A N ALA 71.A O no hydrogen 2.927 N/A GLN 76.A N TRP 72.A O no hydrogen 2.984 N/A THR 78.A N VAL 74.A O no hydrogen 2.872 N/A THR 78.A OG1 VAL 74.A O no hydrogen 2.822 N/A THR 78.A OG1 HIS 192.A ND1 no hydrogen 2.826 N/A GLY 79.A N LEU 75.A O no hydrogen 2.668 N/A ARG 83.A N GLY 80.A O no hydrogen 3.399 N/A LEU 86.A N LEU 180.A O no hydrogen 2.986 N/A THR 87.A N GLU 531.A OE2 no hydrogen 2.708 N/A THR 87.A OG1 GLU 531.A OE1 no hydrogen 2.943 N/A THR 87.A OG1 GLU 531.A OE2 no hydrogen 2.803 N/A VAL 91.A N THR 87.A O no hydrogen 2.983 N/A GLN 92.A N SER 88.A O no hydrogen 3.100 N/A MET 93.A N THR 89.A O no hydrogen 2.862 N/A LEU 94.A N GLY 90.A O no hydrogen 3.119 N/A LEU 95.A N VAL 91.A O no hydrogen 2.713 N/A ARG 96.A N GLN 92.A O no hydrogen 2.773 N/A LYS 97.A N MET 93.A O no hydrogen 3.275 N/A LYS 97.A NZ ASP 539.A OD1 no hydrogen 3.408 N/A LYS 97.A NZ ASP 539.A OD2 no hydrogen 2.972 N/A LEU 98.A N LEU 94.A O no hydrogen 2.976 N/A ILE 99.A N LEU 95.A O no hydrogen 2.699 N/A GLU 100.A N ARG 96.A O no hydrogen 3.381 N/A HIS 102.A N LEU 98.A O no hydrogen 3.042 N/A LYS 103.A N GLU 100.A O no hydrogen 3.299 N/A LYS 103.A NZ SER 113.A OG no hydrogen 3.057 N/A GLN 104.A NE2 GLU 101.A O no hydrogen 2.702 N/A GLU 105.A N HIS 102.A O no hydrogen 3.187 N/A PHE 106.A N LYS 103.A O no hydrogen 2.992 N/A LYS 107.A N ASP 163.A OD2 no hydrogen 3.097 N/A VAL 108.A N ASP 163.A OD1 no hydrogen 3.167 N/A TYR 109.A N ASP 163.A OD1 no hydrogen 3.249 N/A SER 113.A OG GLN 110.A O no hydrogen 2.771 N/A PHE 118.A N LYS 115.A O no hydrogen 3.092 N/A THR 119.A OG1 GLN 92.A O no hydrogen 3.125 N/A VAL 122.A N PHE 118.A O no hydrogen 3.159 N/A GLU 123.A N THR 119.A O no hydrogen 3.043 N/A ARG 124.A N ALA 120.A O no hydrogen 3.115 N/A MET 125.A N GLN 121.A O no hydrogen 3.248 N/A LEU 126.A N VAL 122.A O no hydrogen 2.885 N/A THR 127.A N GLU 123.A O no hydrogen 3.154 N/A THR 127.A OG1 GLU 123.A O no hydrogen 3.320 N/A THR 127.A OG1 GLU 123.A OE2 no hydrogen 3.049 N/A GLU 128.A N ARG 124.A O no hydrogen 3.226 N/A PHE 129.A N MET 125.A O no hydrogen 3.060 N/A LYS 130.A N LEU 126.A O no hydrogen 3.091 N/A LYS 130.A N THR 127.A O no hydrogen 3.184 N/A LYS 130.A NZ TYR 168.A OH no hydrogen 2.837 N/A LYS 130.A NZ GLU 172.A OE1 no hydrogen 3.119 N/A ARG 131.A N THR 127.A O no hydrogen 3.108 N/A ARG 131.A NE GLU 183.A OE1 no hydrogen 2.901 N/A ARG 131.A NH2 GLU 183.A OE1 no hydrogen 3.348 N/A TYR 132.A N GLU 128.A O no hydrogen 3.209 N/A CYS 133.A N LYS 130.A O no hydrogen 2.859 N/A LEU 134.A N PHE 129.A O no hydrogen 2.737 N/A GLU 135.A N ASP 138.A OD2 no hydrogen 2.613 N/A ILE 139.A N GLU 135.A O no hydrogen 3.013 N/A ARG 140.A N PRO 136.A O no hydrogen 2.774 N/A ARG 141.A N GLU 137.A O no hydrogen 2.834 N/A ARG 141.A NE ASP 138.A OD1 no hydrogen 2.969 N/A ARG 141.A NH2 ASP 138.A OD1 no hydrogen 2.667 N/A MET 142.A N ASP 138.A O no hydrogen 3.008 N/A ALA 143.A N ILE 139.A O no hydrogen 2.848 N/A GLU 144.A N ARG 141.A O no hydrogen 3.334 N/A SER 145.A N MET 142.A O no hydrogen 2.800 N/A THR 147.A OG1 ALA 143.A O no hydrogen 2.851 N/A GLU 154.A N TYR 151.A O no hydrogen 2.589 N/A ARG 155.A N TYR 151.A O no hydrogen 3.361 N/A ARG 155.A NE GLU 150.A OE2 no hydrogen 3.155 N/A ARG 155.A NH1 GLU 150.A OE2 no hydrogen 2.820 N/A LEU 157.A N GLY 153.A O no hydrogen 3.180 N/A SER 158.A N GLU 154.A O no hydrogen 2.783 N/A SER 158.A OG ARG 155.A O no hydrogen 2.733 N/A GLU 159.A N ARG 155.A O no hydrogen 3.042 N/A LYS 160.A N VAL 156.A O no hydrogen 3.173 N/A LYS 160.A NZ VAL 604.A O no hydrogen 3.115 N/A LEU 161.A N LEU 157.A O no hydrogen 2.979 N/A HIS 162.A N SER 158.A O no hydrogen 2.887 N/A HIS 162.A ND1 ASP 163.A OD2 no hydrogen 2.937 N/A ASP 163.A N GLU 159.A O no hydrogen 2.914 N/A LEU 164.A N LYS 160.A O no hydrogen 2.770 N/A SER 165.A N LEU 161.A O no hydrogen 2.755 N/A ILE 166.A N HIS 162.A O no hydrogen 3.137 N/A LEU 167.A N ASP 163.A O no hydrogen 3.235 N/A TYR 168.A N LEU 164.A O no hydrogen 2.677 N/A TYR 168.A OH LEU 134.A O no hydrogen 2.678 N/A GLN 169.A N SER 165.A O no hydrogen 2.779 N/A GLN 170.A N ILE 166.A O no hydrogen 2.722 N/A MET 171.A N LEU 167.A O no hydrogen 2.831 N/A MET 171.A N TYR 168.A O no hydrogen 2.845 N/A GLU 172.A N TYR 168.A O no hydrogen 3.011 N/A LYS 173.A N GLN 169.A O no hydrogen 3.346 N/A SER 174.A N GLN 170.A O no hydrogen 3.260 N/A SER 174.A N MET 171.A O no hydrogen 2.965 N/A SER 174.A OG GLN 170.A O no hydrogen 3.149 N/A LEU 175.A N MET 171.A O no hydrogen 2.793 N/A LEU 180.A N PRO 84.A O no hydrogen 3.083 N/A HIS 181.A N ASP 184.A OD1 no hydrogen 3.029 N/A SER 182.A OG LEU 86.A O no hydrogen 3.338 N/A GLU 183.A N HIS 181.A ND1 no hydrogen 2.870 N/A ASP 184.A N HIS 181.A O no hydrogen 2.821 N/A THR 187.A OG1 ASP 184.A O no hydrogen 2.740 N/A LEU 188.A N ASP 184.A O no hydrogen 2.996 N/A LEU 189.A N TYR 185.A O no hydrogen 2.589 N/A ALA 190.A N LEU 186.A O no hydrogen 2.952 N/A GLU 191.A N THR 187.A O no hydrogen 3.345 N/A HIS 192.A N LEU 189.A O no hydrogen 2.888 N/A HIS 192.A ND1 THR 78.A OG1 no hydrogen 2.826 N/A ILE 193.A N LEU 189.A O no hydrogen 2.847 N/A ALA 196.A N ILE 193.A O no hydrogen 2.949 N/A LYS 200.A N GLU 197.A O no hydrogen 2.701 N/A LYS 200.A NZ PRO 194.A O no hydrogen 2.503 N/A HIS 203.A N PRO 33.A O no hydrogen 3.264 N/A ILE 204.A N HIS 229.A O no hydrogen 3.030 N/A TYR 205.A N ILE 35.A O no hydrogen 2.867 N/A TYR 205.A OH GLU 24.A OE1 no hydrogen 3.352 N/A VAL 206.A N THR 231.A O no hydrogen 2.954 N/A ASP 207.A N LEU 37.A O no hydrogen 3.121 N/A GLN 211.A NE2 TYR 210.A O no hydrogen 2.724 N/A THR 213.A N GLU 216.A OE1 no hydrogen 2.990 N/A GLN 215.A N ARG 131.A O no hydrogen 2.765 N/A GLU 216.A N THR 213.A OG1 no hydrogen 3.001 N/A PHE 217.A N THR 213.A O no hydrogen 2.558 N/A ARG 218.A N PRO 214.A O no hydrogen 2.826 N/A VAL 219.A N GLU 216.A O no hydrogen 2.903 N/A LEU 220.A N GLU 216.A O no hydrogen 3.194 N/A GLU 221.A N PHE 217.A O no hydrogen 3.235 N/A LEU 223.A N VAL 219.A O no hydrogen 3.003 N/A LEU 223.A N LEU 220.A O no hydrogen 2.767 N/A MET 224.A N LEU 220.A O no hydrogen 2.735 N/A ALA 227.A N LEU 223.A O no hydrogen 2.843 N/A HIS 229.A N ALA 202.A O no hydrogen 3.502 N/A ILE 230.A N GLY 1.A O no hydrogen 2.947 N/A THR 231.A N ILE 204.A O no hydrogen 2.957 N/A PHE 232.A N GLU 3.A O no hydrogen 2.731 N/A SER 233.A N VAL 206.A O no hydrogen 2.976 N/A SER 233.A OG ASP 207.A OD1 no hydrogen 2.781 N/A LEU 234.A N LEU 5.A O no hydrogen 2.910 N/A ALA 236.A N GLY 7.A O no hydrogen 2.729 N/A SER 240.A OG ARG 243.A O no hydrogen 3.140 N/A HIS 246.A N GLU 249.A OE1 no hydrogen 2.808 N/A GLU 249.A N HIS 246.A O no hydrogen 3.470 N/A ARG 252.A N GLU 249.A O no hydrogen 3.046 N/A THR 254.A OG1 THR 235.A O no hydrogen 2.669 N/A GLY 255.A N PHE 251.A O no hydrogen 2.680 N/A LYS 256.A N ARG 252.A O no hydrogen 2.860 N/A THR 257.A N MET 253.A O no hydrogen 3.052 N/A THR 257.A OG1 TYR 210.A O no hydrogen 3.176 N/A THR 257.A OG1 MET 253.A O no hydrogen 3.340 N/A THR 257.A OG1 THR 254.A O no hydrogen 2.651 N/A TYR 258.A N THR 254.A O no hydrogen 2.947 N/A TYR 259.A N GLY 255.A O no hydrogen 3.076 N/A ARG 260.A N LYS 256.A O no hydrogen 3.127 N/A ARG 260.A NH1 GLU 619.A OE1 no hydrogen 2.855 N/A ARG 260.A NH2 GLU 244.A OE1 no hydrogen 3.127 N/A ARG 260.A NH2 GLU 619.A OE1 no hydrogen 3.470 N/A LEU 261.A N THR 257.A O no hydrogen 2.944 N/A HIS 262.A N TYR 258.A O no hydrogen 2.744 N/A HIS 262.A NE2 TYR 274.A OH no hydrogen 2.986 N/A GLN 263.A N TYR 259.A O no hydrogen 2.980 N/A LYS 264.A N ARG 260.A O no hydrogen 2.836 N/A LYS 264.A NZ GLU 267.A OE2 no hydrogen 2.809 N/A ALA 265.A N LEU 261.A O no hydrogen 2.775 N/A LYS 266.A N HIS 262.A O no hydrogen 2.890 N/A GLU 267.A N GLN 263.A O no hydrogen 2.900 N/A LEU 268.A N LYS 264.A O no hydrogen 3.068 N/A ASN 269.A N LYS 266.A O no hydrogen 2.996 N/A LEU 270.A N ALA 265.A O no hydrogen 3.126 N/A THR 273.A N ALA 2.A O no hydrogen 3.060 N/A TYR 274.A OH HIS 262.A NE2 no hydrogen 2.986 N/A LYS 275.A N PHE 4.A O no hydrogen 3.022 N/A LYS 275.A NZ THR 273.A OG1 no hydrogen 3.079 N/A LEU 277.A N VAL 6.A O no hydrogen 3.011 N/A GLU 281.A N GLY 10.A O no hydrogen 2.952 N/A ARG 282.A N GLY 10.A O no hydrogen 3.081 N/A ARG 282.A NH1 SER 9.A OG no hydrogen 3.171 N/A ARG 282.A NH1 SER 640.A O no hydrogen 2.713 N/A HIS 283.A NE2 PRO 642.A O no hydrogen 2.994 N/A THR 284.A OG1 GLU 281.A O no hydrogen 3.515 N/A THR 286.A N HIS 283.A O no hydrogen 2.971 N/A THR 286.A OG1 SER 643.A O no hydrogen 2.724 N/A THR 286.A OG1 ASP 644.A O no hydrogen 3.533 N/A ALA 290.A N THR 286.A O no hydrogen 3.078 N/A HIS 291.A N PRO 287.A O no hydrogen 2.864 N/A HIS 291.A N GLU 288.A O no hydrogen 2.749 N/A LEU 292.A N GLU 288.A O no hydrogen 2.857 N/A GLU 293.A N LEU 289.A O no hydrogen 3.162 N/A ALA 294.A N HIS 291.A O no hydrogen 2.924 N/A GLN 295.A N HIS 291.A O no hydrogen 2.836 N/A TYR 296.A OH HIS 632.A ND1 no hydrogen 2.743 N/A ALA 301.A N ARG 299.A O no hydrogen 2.540 N/A TYR 304.A N LEU 672.A O no hydrogen 2.864 N/A GLN 308.A NE2 LEU 311.A O no hydrogen 3.139 N/A GLN 308.A NE2 LYS 677.A O no hydrogen 2.816 N/A GLU 309.A N GLU 288.A OE2 no hydrogen 2.817 N/A ALA 310.A N GLU 288.A OE2 no hydrogen 2.632 N/A THR 312.A N LEU 646.A O no hydrogen 3.104 N/A THR 312.A OG1 VAL 313.A O no hydrogen 3.387 N/A MET 314.A N VAL 648.A O no hydrogen 2.878 N/A GLN 315.A N ARG 679.A O no hydrogen 3.192 N/A ALA 316.A N TYR 650.A O no hydrogen 3.011 N/A ARG 319.A NH2 TYR 354.A OH no hydrogen 3.245 N/A ALA 321.A N ASN 318.A OD1 no hydrogen 3.052 N/A GLU 322.A N ASN 318.A O no hydrogen 2.810 N/A LEU 323.A N ARG 319.A O no hydrogen 2.858 N/A GLU 324.A N ARG 320.A O no hydrogen 2.647 N/A GLY 325.A N ALA 321.A O no hydrogen 2.722 N/A ILE 326.A N GLU 322.A O no hydrogen 2.850 N/A ALA 327.A N LEU 323.A O no hydrogen 2.742 N/A GLU 329.A N GLY 325.A O no hydrogen 3.316 N/A ILE 330.A N ILE 326.A O no hydrogen 2.985 N/A HIS 331.A N ALA 327.A O no hydrogen 3.246 N/A HIS 331.A NE2 TYR 365.A O no hydrogen 2.618 N/A ALA 332.A N ARG 328.A O no hydrogen 2.802 N/A LEU 333.A N GLU 329.A O no hydrogen 2.816 N/A VAL 334.A N ILE 330.A O no hydrogen 3.029 N/A ARG 335.A N HIS 331.A O no hydrogen 2.926 N/A ARG 335.A NH1 VAL 698.A O no hydrogen 3.420 N/A ARG 335.A NH2 VAL 698.A O no hydrogen 3.204 N/A GLU 336.A N ALA 332.A O no hydrogen 2.984 N/A LYS 337.A N ALA 332.A O no hydrogen 3.455 N/A TYR 339.A N LEU 333.A O no hydrogen 3.052 N/A TYR 339.A OH ASP 644.A OD1 no hydrogen 2.725 N/A ARG 340.A N ASP 343.A OD2 no hydrogen 3.316 N/A ARG 340.A NE ASP 567.A OD2 no hydrogen 3.027 N/A ARG 340.A NH1 ASP 567.A OD2 no hydrogen 2.880 N/A ASP 343.A N ARG 340.A O no hydrogen 2.655 N/A VAL 344.A N TYR 341.A O no hydrogen 3.161 N/A ALA 345.A N CYS 584.A O no hydrogen 2.852 N/A ILE 346.A N PHE 570.A O no hydrogen 2.835 N/A LEU 347.A N PHE 586.A O no hydrogen 2.757 N/A ALA 348.A N GLY 572.A O no hydrogen 3.165 N/A GLN 350.A NE2 ASP 353.A OD1 no hydrogen 2.657 N/A ASP 353.A N GLN 350.A O no hydrogen 2.970 N/A TYR 354.A N PRO 351.A O no hydrogen 3.194 N/A TYR 354.A OH GLU 322.A OE1 no hydrogen 2.701 N/A LYS 355.A N PRO 351.A O no hydrogen 2.755 N/A LYS 355.A NZ GLU 352.A OE1 no hydrogen 3.346 N/A VAL 358.A N TYR 354.A O no hydrogen 2.762 N/A VAL 361.A N MET 357.A O no hydrogen 2.872 N/A PHE 362.A N VAL 358.A O no hydrogen 2.948 N/A ALA 363.A N LYS 359.A O no hydrogen 2.748 N/A ASP 364.A N GLU 360.A O no hydrogen 3.058 N/A TYR 365.A N VAL 361.A O no hydrogen 2.892 N/A TYR 365.A OH GLU 324.A OE1 no hydrogen 3.281 N/A GLU 366.A N ALA 363.A O no hydrogen 3.301 N/A ILE 367.A N PHE 362.A O no hydrogen 2.859 N/A PHE 370.A N VAL 569.A O no hydrogen 3.023 N/A LEU 378.A N SER 376.A OG no hydrogen 3.241 N/A HIS 380.A N MET 377.A O no hydrogen 2.885 N/A LEU 382.A N HIS 380.A ND1 no hydrogen 3.006 N/A GLU 384.A N HIS 380.A O no hydrogen 2.985 N/A PHE 385.A N PRO 381.A O no hydrogen 2.711 N/A ILE 386.A N LEU 382.A O no hydrogen 3.237 N/A ARG 387.A N ILE 383.A O no hydrogen 3.125 N/A ARG 387.A NH1 GLU 551.A OE1 no hydrogen 2.739 N/A SER 388.A N GLU 384.A O no hydrogen 2.801 N/A SER 388.A OG GLU 384.A O no hydrogen 3.246 N/A SER 389.A N PHE 385.A O no hydrogen 3.102 N/A SER 389.A OG PHE 385.A O no hydrogen 2.544 N/A SER 389.A OG TYR 489.A OH no hydrogen 2.765 N/A LEU 390.A N ILE 386.A O no hydrogen 3.252 N/A ASP 391.A N ARG 387.A O no hydrogen 3.060 N/A VAL 392.A N SER 388.A O no hydrogen 2.835 N/A LEU 393.A N SER 389.A O no hydrogen 3.404 N/A LYS 394.A N LEU 390.A O no hydrogen 2.984 N/A LYS 394.A N ASP 391.A O no hydrogen 3.179 N/A LYS 394.A NZ ASP 544.A OD1 no hydrogen 2.734 N/A GLY 395.A N ASP 391.A O no hydrogen 3.007 N/A TRP 397.A N VAL 392.A O no hydrogen 2.486 N/A GLU 400.A N GLU 400.A OE1 no hydrogen 2.652 N/A ALA 401.A N ARG 398.A O no hydrogen 2.791 N/A VAL 402.A N ARG 398.A O no hydrogen 3.256 N/A PHE 403.A N TYR 399.A O no hydrogen 3.114 N/A ARG 404.A N GLU 400.A O no hydrogen 3.114 N/A CYS 405.A N ALA 401.A O no hydrogen 3.049 N/A CYS 405.A N VAL 402.A O no hydrogen 3.153 N/A CYS 405.A SG SER 389.A OG no hydrogen 3.601 N/A CYS 405.A SG ALA 401.A O no hydrogen 3.475 N/A VAL 406.A N VAL 402.A O no hydrogen 3.009 N/A LYS 407.A N PHE 403.A O no hydrogen 2.941 N/A LYS 407.A NZ GLU 429.A OE1 no hydrogen 2.904 N/A LYS 407.A NZ GLU 429.A OE2 no hydrogen 2.796 N/A THR 408.A N CYS 405.A O no hydrogen 3.106 N/A THR 408.A OG1 CYS 405.A O no hydrogen 2.647 N/A GLU 409.A N VAL 406.A O no hydrogen 2.939 N/A VAL 421.A N PRO 417.A O no hydrogen 3.446 N/A ARG 422.A N LYS 418.A O no hydrogen 2.920 N/A GLN 424.A N LYS 420.A O no hydrogen 2.940 N/A VAL 425.A N VAL 421.A O no hydrogen 2.794 N/A ASP 426.A N ARG 422.A O no hydrogen 2.730 N/A GLN 427.A N GLU 423.A O no hydrogen 2.803 N/A LEU 428.A N GLN 424.A O no hydrogen 2.932 N/A GLU 429.A N VAL 425.A O no hydrogen 2.848 N/A ASN 430.A N ASP 426.A O no hydrogen 2.899 N/A TYR 431.A N GLN 427.A O no hydrogen 3.070 N/A CYS 432.A N LEU 428.A O no hydrogen 2.958 N/A CYS 432.A SG LEU 428.A O no hydrogen 3.113 N/A ILE 433.A N GLU 429.A O no hydrogen 2.981 N/A ILE 433.A N ASN 430.A O no hydrogen 2.992 N/A ALA 434.A N ASN 430.A O no hydrogen 2.952 N/A TYR 435.A N TYR 431.A O no hydrogen 2.889 N/A GLY 436.A N ILE 433.A O no hydrogen 3.445 N/A ILE 437.A N CYS 432.A O no hydrogen 2.926 N/A GLY 439.A N TRP 397.A O no hydrogen 3.193 N/A ARG 441.A N LYS 438.A O no hydrogen 3.097 N/A TRP 442.A N GLY 439.A O no hydrogen 3.417 N/A THR 443.A OG1 ASP 440.A O no hydrogen 2.835 N/A THR 443.A OG1 ASP 440.A OD1 no hydrogen 3.429 N/A LYS 444.A N ASP 440.A O no hydrogen 2.739 N/A GLN 447.A N GLN 447.A OE1 no hydrogen 2.797 N/A ILE 449.A N THR 445.A O no hydrogen 3.410 N/A MET 451.A N GLN 447.A O no hydrogen 3.236 N/A GLU 452.A N GLU 448.A O no hydrogen 2.657 N/A ASN 453.A N ILE 449.A O no hydrogen 2.987 N/A MET 454.A N GLU 450.A O no hydrogen 3.273 N/A LEU 455.A N MET 451.A O no hydrogen 2.942 N/A ASN 456.A N GLU 452.A O no hydrogen 2.900 N/A ASP 457.A N ASN 453.A O no hydrogen 2.583 N/A THR 458.A N MET 454.A O no hydrogen 2.886 N/A THR 458.A OG1 MET 454.A O no hydrogen 2.593 N/A ARG 459.A N LEU 455.A O no hydrogen 3.407 N/A TRP 461.A N ASP 457.A O no hydrogen 3.311 N/A TRP 461.A N THR 458.A O no hydrogen 3.208 N/A ILE 462.A N THR 458.A O no hydrogen 3.237 N/A ILE 462.A N ARG 459.A O no hydrogen 3.280 N/A VAL 463.A N ARG 459.A O no hydrogen 2.889 N/A PHE 467.A N VAL 463.A O no hydrogen 2.634 N/A GLN 468.A N PRO 464.A O no hydrogen 2.773 N/A LEU 469.A N PRO 465.A O no hydrogen 3.244 N/A LYS 471.A N PHE 467.A O no hydrogen 3.265 N/A ARG 472.A N GLN 468.A O no hydrogen 3.108 N/A MET 473.A N LEU 469.A O no hydrogen 2.731 N/A LYS 474.A N GLN 470.A O no hydrogen 3.085 N/A LYS 475.A N LYS 471.A O no hydrogen 3.370 N/A ALA 476.A N ARG 472.A O no hydrogen 3.025 N/A LYS 477.A N GLU 481.A OE2 no hydrogen 2.615 N/A THR 478.A N GLU 481.A OE2 no hydrogen 2.649 N/A VAL 479.A N ASP 539.A O no hydrogen 2.918 N/A GLN 480.A N GLY 537.A O no hydrogen 2.851 N/A ALA 483.A N VAL 479.A O no hydrogen 2.690 N/A GLU 484.A N GLN 480.A O no hydrogen 2.945 N/A ALA 485.A N GLU 481.A O no hydrogen 2.984 N/A LEU 486.A N LYS 482.A O no hydrogen 3.193 N/A TYR 487.A N ALA 483.A O no hydrogen 3.213 N/A TYR 487.A OH GLU 491.A OE2 no hydrogen 2.886 N/A ARG 488.A N GLU 484.A O no hydrogen 2.974 N/A TYR 489.A N ALA 485.A O no hydrogen 3.315 N/A TYR 489.A OH SER 389.A OG no hydrogen 2.765 N/A LEU 490.A N TYR 487.A O no hydrogen 2.744 N/A GLU 491.A N TYR 487.A O no hydrogen 3.131 N/A GLU 492.A N ARG 488.A O no hydrogen 2.765 N/A THR 493.A OG1 TYR 489.A O no hydrogen 2.676 N/A THR 493.A OG1 LEU 490.A O no hydrogen 2.709 N/A ASP 494.A N GLU 491.A O no hydrogen 2.781 N/A VAL 495.A N LEU 490.A O no hydrogen 3.030 N/A LYS 498.A N ASP 494.A O no hydrogen 3.138 N/A LYS 498.A NZ LEU 410.A O no hydrogen 2.873 N/A LYS 498.A NZ PHE 412.A O no hydrogen 2.749 N/A LYS 498.A NZ THR 493.A O no hydrogen 2.806 N/A LEU 499.A N VAL 495.A O no hydrogen 2.765 N/A ASP 500.A N PRO 496.A O no hydrogen 2.897 N/A GLN 501.A N LEU 497.A O no hydrogen 2.928 N/A GLU 502.A N LYS 498.A O no hydrogen 2.938 N/A ARG 503.A N LEU 499.A O no hydrogen 2.754 N/A GLN 504.A N ASP 500.A O no hydrogen 3.178 N/A ARG 505.A N GLN 501.A O no hydrogen 3.404 N/A ARG 505.A NH1 GLU 502.A OE2 no hydrogen 2.808 N/A ALA 506.A N GLU 502.A O no hydrogen 3.250 N/A GLU 507.A N ARG 503.A O no hydrogen 3.417 N/A ASP 508.A N GLN 504.A O no hydrogen 3.034 N/A ASP 509.A N ALA 506.A O no hydrogen 3.271 N/A GLY 510.A N GLU 507.A O no hydrogen 2.734 N/A ARG 511.A N ALA 506.A O no hydrogen 2.813 N/A ARG 511.A NH1 ASP 509.A OD2 no hydrogen 2.719 N/A ARG 511.A NH2 ASP 509.A OD2 no hydrogen 2.973 N/A GLN 516.A N ILE 512.A O no hydrogen 2.778 N/A GLN 516.A N ILE 513.A O no hydrogen 3.048 N/A GLN 517.A N ILE 513.A O no hydrogen 3.341 N/A GLN 517.A N GLU 514.A O no hydrogen 3.337 N/A GLN 520.A NE2 GLN 516.A O no hydrogen 3.312 N/A ALA 521.A N GLN 517.A O no hydrogen 2.909 N/A ALA 521.A N HIS 518.A O no hydrogen 2.852 N/A TRP 522.A N HIS 518.A O no hydrogen 3.247 N/A VAL 525.A N ALA 521.A O no hydrogen 3.406 N/A ILE 526.A N TRP 522.A O no hydrogen 3.422 N/A GLN 527.A N ASP 523.A O no hydrogen 2.844 N/A LEU 528.A N ALA 524.A O no hydrogen 3.230 N/A LEU 529.A N VAL 525.A O no hydrogen 3.056 N/A GLU 530.A N ILE 526.A O no hydrogen 2.684 N/A GLU 531.A N GLN 527.A O no hydrogen 2.898 N/A PHE 532.A N LEU 528.A O no hydrogen 2.926 N/A VAL 533.A N LEU 529.A O no hydrogen 2.784 N/A GLU 534.A N GLU 530.A O no hydrogen 2.806 N/A MET 535.A N GLU 531.A O no hydrogen 2.974 N/A MET 536.A N PHE 532.A O no hydrogen 2.970 N/A ASP 539.A N MET 536.A O no hydrogen 2.857 N/A ILE 541.A N LYS 477.A O no hydrogen 3.036 N/A LEU 545.A N SER 542.A O no hydrogen 3.073 N/A PHE 546.A N SER 542.A O no hydrogen 3.061 N/A GLN 547.A N LEU 543.A O no hydrogen 2.675 N/A MET 549.A N LEU 545.A O no hydrogen 3.114 N/A ILE 550.A N PHE 546.A O no hydrogen 3.179 N/A GLU 551.A N GLN 547.A O no hydrogen 2.661 N/A ALA 552.A N GLN 548.A O no hydrogen 2.994 N/A GLY 553.A N MET 549.A O no hydrogen 2.897 N/A ALA 554.A N ILE 550.A O no hydrogen 2.891 N/A GLU 555.A N GLU 551.A O no hydrogen 3.339 N/A SER 556.A N GLY 553.A O no hydrogen 3.267 N/A SER 556.A OG ALA 552.A O no hydrogen 3.501 N/A SER 556.A OG GLY 553.A O no hydrogen 2.679 N/A LEU 557.A N GLY 553.A O no hydrogen 3.118 N/A LEU 557.A N ALA 554.A O no hydrogen 2.942 N/A THR 558.A OG1 PHE 559.A O no hydrogen 3.372 N/A PHE 559.A N ALA 375.A O no hydrogen 3.043 N/A SER 560.A N GLN 520.A OE1 no hydrogen 2.651 N/A SER 560.A OG GLN 520.A OE1 no hydrogen 2.716 N/A VAL 569.A N PRO 368.A O no hydrogen 2.991 N/A PHE 570.A N VAL 344.A O no hydrogen 3.113 N/A VAL 571.A N PHE 370.A O no hydrogen 3.110 N/A GLY 572.A N ILE 346.A O no hydrogen 3.070 N/A ASN 573.A N SER 577.A OG no hydrogen 2.892 N/A ASP 575.A N ASN 573.A OD1 no hydrogen 3.048 N/A SER 577.A N ASN 573.A OD1 no hydrogen 2.983 N/A SER 577.A OG ASP 372.A OD1 no hydrogen 2.754 N/A SER 577.A OG ASN 573.A O no hydrogen 3.346 N/A ARG 578.A NE GLY 208.A O no hydrogen 3.170 N/A ARG 578.A NH1 ASP 575.A O no hydrogen 3.372 N/A ARG 578.A NH1 SER 577.A O no hydrogen 3.058 N/A ARG 578.A NH2 GLY 208.A O no hydrogen 3.094 N/A SER 583.A N ASP 343.A O no hydrogen 2.907 N/A CYS 584.A N ASP 343.A O no hydrogen 3.046 N/A THR 585.A N ARG 645.A O no hydrogen 3.260 N/A THR 585.A OG1 SER 641.A OG no hydrogen 3.016 N/A PHE 586.A N ALA 345.A O no hydrogen 2.766 N/A VAL 587.A N TYR 647.A O no hydrogen 2.665 N/A LEU 588.A N LEU 347.A O no hydrogen 2.812 N/A GLY 589.A N GLU 322.A OE2 no hydrogen 3.401 N/A ALA 590.A N SER 649.A O no hydrogen 3.113 N/A ASP 592.A N LEU 661.A O no hydrogen 2.854 N/A VAL 594.A N ASN 591.A O no hydrogen 3.049 N/A LEU 595.A N ASN 591.A O no hydrogen 3.004 N/A ARG 598.A NH1 PRO 596.A O no hydrogen 3.490 N/A ARG 598.A NH2 ASP 592.A OD1 no hydrogen 2.938 N/A SER 606.A N ASP 609.A OD1 no hydrogen 3.197 N/A SER 606.A OG ASP 609.A OD1 no hydrogen 2.496 N/A ASP 609.A N SER 606.A OG no hydrogen 3.047 N/A ARG 610.A N SER 606.A O no hydrogen 2.993 N/A ARG 610.A NH1 GLU 128.A OE2 no hydrogen 2.652 N/A ARG 610.A NH2 GLU 128.A OE1 no hydrogen 2.979 N/A ARG 610.A NH2 GLU 128.A OE2 no hydrogen 3.354 N/A GLU 611.A N ASP 607.A O no hydrogen 3.020 N/A TRP 612.A N ASP 608.A O no hydrogen 2.961 N/A LEU 613.A N ASP 609.A O no hydrogen 2.907 N/A LYS 614.A N ARG 610.A O no hydrogen 3.172 N/A THR 615.A N TRP 612.A O no hydrogen 2.775 N/A THR 615.A OG1 TRP 612.A O no hydrogen 2.636 N/A ILE 616.A N LEU 613.A O no hydrogen 2.818 N/A GLY 617.A N LYS 614.A O no hydrogen 3.163 N/A VAL 618.A N LEU 613.A O no hydrogen 3.337 N/A SER 621.A N GLU 128.A OE2 no hydrogen 3.268 N/A SER 622.A OG GLU 626.A OE1 no hydrogen 3.277 N/A GLY 624.A N SER 622.A O no hydrogen 3.076 N/A ARG 625.A NH1 GLU 247.A OE2 no hydrogen 2.779 N/A ARG 625.A NH2 GLU 247.A OE2 no hydrogen 2.977 N/A LEU 629.A N GLU 626.A O no hydrogen 2.890 N/A ASP 630.A N GLU 626.A O no hydrogen 2.904 N/A ASP 630.A N ARG 627.A O no hydrogen 2.814 N/A GLU 631.A N ARG 627.A O no hydrogen 2.780 N/A LEU 634.A N ASP 630.A O no hydrogen 3.082 N/A ILE 635.A N GLU 631.A O no hydrogen 2.891 N/A TYR 636.A N HIS 632.A O no hydrogen 2.969 N/A TYR 636.A OH GLU 293.A OE1 no hydrogen 2.656 N/A MET 637.A N PHE 633.A O no hydrogen 3.013 N/A ALA 638.A N LEU 634.A O no hydrogen 3.124 N/A PHE 639.A N ILE 635.A O no hydrogen 2.920 N/A SER 640.A N TYR 636.A O no hydrogen 3.050 N/A SER 640.A OG SER 9.A OG no hydrogen 2.787 N/A SER 640.A OG TYR 636.A O no hydrogen 2.910 N/A SER 640.A OG MET 637.A O no hydrogen 3.320 N/A SER 641.A N ALA 638.A O no hydrogen 3.190 N/A SER 641.A OG THR 585.A OG1 no hydrogen 3.016 N/A SER 641.A OG ALA 638.A O no hydrogen 2.692 N/A SER 643.A N THR 582.A O no hydrogen 2.965 N/A SER 643.A OG THR 582.A O no hydrogen 3.496 N/A SER 643.A OG ASP 644.A OD2 no hydrogen 2.871 N/A ASP 644.A N SER 583.A O no hydrogen 2.873 N/A ARG 645.A N SER 583.A O no hydrogen 3.144 N/A ARG 645.A NH1 GLU 309.A O no hydrogen 3.404 N/A LEU 646.A N ALA 310.A O no hydrogen 3.148 N/A TYR 647.A N THR 585.A O no hydrogen 3.043 N/A TYR 647.A OH GLU 329.A OE2 no hydrogen 2.595 N/A VAL 648.A N THR 312.A O no hydrogen 3.105 N/A SER 649.A N VAL 587.A O no hydrogen 2.919 N/A SER 649.A OG GLU 322.A OE2 no hydrogen 2.724 N/A SER 649.A OG VAL 587.A O no hydrogen 3.064 N/A TYR 650.A N MET 314.A O no hydrogen 3.042 N/A TYR 650.A OH GLU 678.A OE2 no hydrogen 2.758 N/A ILE 652.A N ALA 316.A O no hydrogen 2.673 N/A ALA 653.A N ALA 317.A O no hydrogen 3.172 N/A ALA 655.A N ASP 654.A OD1 no hydrogen 2.443 N/A LYS 658.A NZ GLU 656.A OE2 no hydrogen 2.579 N/A LEU 660.A N ILE 652.A O no hydrogen 2.667 N/A SER 663.A N ALA 590.A O no hydrogen 2.621 N/A SER 663.A OG ALA 590.A O no hydrogen 3.116 N/A ILE 665.A N SER 663.A OG no hydrogen 3.267 N/A VAL 666.A N SER 663.A O no hydrogen 3.217 N/A ARG 668.A N MET 664.A O no hydrogen 3.180 N/A LEU 669.A N ILE 665.A O no hydrogen 2.804 N/A GLU 670.A N VAL 666.A O no hydrogen 2.892 N/A GLU 671.A N ARG 668.A O no hydrogen 2.835 N/A LEU 672.A N ARG 668.A O no hydrogen 2.999 N/A PHE 673.A N LEU 669.A O no hydrogen 2.851 N/A HIS 676.A N PHE 673.A O no hydrogen 3.154 N/A HIS 676.A NE2 GLU 288.A OE1 no hydrogen 3.028 N/A LYS 677.A N GLN 308.A OE1 no hydrogen 2.797 N/A ARG 679.A N VAL 313.A O no hydrogen 3.063 N/A ARG 679.A NH1 GLU 329.A OE1 no hydrogen 3.075 N/A ARG 679.A NH2 GLU 329.A OE1 no hydrogen 3.397 N/A LEU 681.A N GLN 315.A O no hydrogen 2.946 N/A GLU 684.A N THR 682.A OG1 no hydrogen 2.924 N/A GLU 686.A N GLU 686.A OE1 no hydrogen 2.790 N/A GLN 687.A N GLU 684.A O no hydrogen 2.921 N/A VAL 688.A N PRO 685.A O no hydrogen 2.878 N/A SER 689.A OG GLU 692.A OE2 no hydrogen 2.654 N/A GLU 692.A N GLU 692.A OE2 no hydrogen 2.784 N/A GLN 693.A N SER 689.A O no hydrogen 3.110 N/A GLN 693.A NE2 PRO 685.A O no hydrogen 2.931 N/A LEU 694.A N GLU 691.A O no hydrogen 2.795 N/A MET 695.A N GLU 692.A O no hydrogen 2.770 N/A TYR 696.A OH THR 682.A O no hydrogen 2.704 N/A ASN 699.A ND2 ASP 364.A O no hydrogen 3.257 N/A LYS 700.A NZ GLN 704.A OE1 no hydrogen 2.687 N/A ALA 703.A N ASN 699.A O no hydrogen 2.711 N/A GLN 704.A N LYS 700.A O no hydrogen 2.844 N/A GLN 704.A NE2 SER 740.A OG no hydrogen 2.996 N/A SER 705.A N SER 701.A O no hydrogen 2.940 N/A PHE 706.A N VAL 702.A O no hydrogen 3.057 N/A THR 707.A N ALA 703.A O no hydrogen 2.859 N/A THR 707.A OG1 ALA 703.A O no hydrogen 3.046 N/A THR 707.A OG1 GLN 704.A O no hydrogen 2.761 N/A ALA 708.A N GLN 704.A O no hydrogen 2.887 N/A SER 709.A OG PHE 706.A O no hydrogen 2.648 N/A GLN 710.A N PHE 706.A O no hydrogen 2.947 N/A GLN 710.A NE2 GLU 686.A OE1 no hydrogen 3.071 N/A LEU 711.A N THR 707.A O no hydrogen 2.900 N/A ARG 712.A N ALA 708.A O no hydrogen 3.332 N/A ARG 712.A NH2 THR 715.A OG1 no hydrogen 3.042 N/A LEU 713.A N SER 709.A O no hydrogen 3.224 N/A TRP 714.A N GLN 710.A O no hydrogen 2.870 N/A THR 715.A N LEU 711.A O no hydrogen 3.100 N/A THR 715.A OG1 ARG 712.A O no hydrogen 2.815 N/A GLU 717.A N TRP 714.A O no hydrogen 2.888 N/A TRP 724.A N SER 721.A O no hydrogen 3.278 N/A TRP 725.A N ASP 722.A O no hydrogen 3.135 N/A SER 726.A N ASP 722.A O no hydrogen 3.139 N/A SER 726.A OG ASP 722.A O no hydrogen 3.023 N/A THR 727.A N VAL 723.A O no hydrogen 3.016 N/A THR 727.A OG1 VAL 723.A O no hydrogen 2.688 N/A TYR 728.A N TRP 724.A O no hydrogen 2.868 N/A ASN 729.A N TRP 725.A O no hydrogen 2.993 N/A VAL 730.A N SER 726.A O no hydrogen 2.979 N/A LEU 731.A N THR 727.A O no hydrogen 3.145 N/A MET 732.A N TYR 728.A O no hydrogen 2.983 N/A MET 732.A N ASN 729.A O no hydrogen 3.198 N/A SER 733.A N VAL 730.A O no hydrogen 3.032 N/A SER 733.A OG VAL 730.A O no hydrogen 2.785 N/A GLN 735.A N GLN 735.A OE1 no hydrogen 2.696 N/A SER 740.A N ASP 736.A O no hydrogen 3.431 N/A LYS 741.A N ARG 737.A O no hydrogen 2.835 N/A LYS 742.A N LEU 738.A O no hydrogen 3.043 N/A LEU 743.A N GLN 739.A O no hydrogen 2.825 N/A PHE 744.A N SER 740.A O no hydrogen 2.845 N/A SER 745.A N LYS 742.A O no hydrogen 2.695 N/A SER 745.A OG LYS 742.A O no hydrogen 2.529 N/A SER 746.A N LEU 743.A O no hydrogen 3.348 N/A SER 746.A OG LEU 743.A O no hydrogen 2.585 N/A LEU 747.A N PHE 744.A O no hydrogen 3.028 N/A ASN 751.A ND2 CYS 1111.A O no hydrogen 2.535 N/A GLN 755.A N GLN 755.A OE1 no hydrogen 2.687 N/A LEU 756.A N GLY 1087.A O no hydrogen 2.755 N/A SER 761.A N GLU 757.A O no hydrogen 3.143 N/A SER 761.A OG GLU 757.A O no hydrogen 2.973 N/A SER 761.A OG ARG 758.A O no hydrogen 3.499 N/A SER 761.A OG THR 1085.A O no hydrogen 3.273 N/A ARG 762.A N ARG 758.A O no hydrogen 3.245 N/A ARG 762.A NH1 GLY 915.A O no hydrogen 3.313 N/A ARG 762.A NH2 ASN 914.A O no hydrogen 2.511 N/A LEU 764.A N VAL 760.A O no hydrogen 2.658 N/A TYR 765.A N SER 761.A O no hydrogen 2.762 N/A GLY 766.A N ARG 762.A O no hydrogen 2.654 N/A ILE 769.A N THR 917.A O no hydrogen 2.919 N/A SER 772.A OG SER 774.A OG no hydrogen 2.888 N/A SER 774.A OG SER 772.A OG no hydrogen 2.888 N/A ARG 775.A NE HIS 786.A NE2 no hydrogen 3.151 N/A ARG 775.A NH2 HIS 786.A NE2 no hydrogen 3.394 N/A MET 776.A N SER 772.A O no hydrogen 2.991 N/A GLU 777.A N VAL 773.A O no hydrogen 3.095 N/A THR 778.A N SER 774.A O no hydrogen 2.909 N/A THR 778.A OG1 SER 774.A O no hydrogen 2.999 N/A THR 778.A OG1 ARG 775.A O no hydrogen 2.623 N/A PHE 779.A N ARG 775.A O no hydrogen 3.282 N/A ASN 780.A N MET 776.A O no hydrogen 3.116 N/A CYS 782.A N THR 778.A O no hydrogen 3.127 N/A SER 785.A OG CYS 782.A O no hydrogen 2.564 N/A PHE 787.A N PRO 783.A O no hydrogen 3.321 N/A ALA 788.A N PHE 784.A O no hydrogen 2.989 N/A SER 789.A N SER 785.A O no hydrogen 3.012 N/A SER 789.A OG SER 785.A O no hydrogen 2.855 N/A SER 789.A OG HIS 786.A O no hydrogen 3.049 N/A HIS 790.A N HIS 786.A O no hydrogen 2.825 N/A GLY 791.A N HIS 786.A O no hydrogen 3.433 N/A LEU 792.A N PHE 787.A O no hydrogen 2.760 N/A LEU 794.A N ALA 788.A O no hydrogen 3.233 N/A LYS 801.A NZ GLU 803.A OE2 no hydrogen 3.127 N/A GLY 808.A N PRO 805.A O no hydrogen 2.688 N/A LEU 810.A N ILE 807.A O no hydrogen 3.049 N/A PHE 811.A N ILE 807.A O no hydrogen 3.388 N/A HIS 812.A N GLY 808.A O no hydrogen 3.192 N/A HIS 812.A ND1 GLY 808.A O no hydrogen 3.230 N/A HIS 812.A NE2 ASP 925.A OD2 no hydrogen 3.281 N/A SER 813.A N GLN 809.A O no hydrogen 3.426 N/A SER 813.A OG GLN 809.A O no hydrogen 3.380 N/A SER 814.A N LEU 810.A O no hydrogen 2.852 N/A SER 814.A OG LEU 810.A O no hydrogen 2.857 N/A LEU 815.A N PHE 811.A O no hydrogen 2.738 N/A LYS 816.A N HIS 812.A O no hydrogen 2.655 N/A LYS 816.A NZ ASP 820.A OD1 no hydrogen 2.885 N/A LEU 817.A N SER 813.A O no hydrogen 2.810 N/A ILE 818.A N SER 814.A O no hydrogen 2.827 N/A SER 819.A N LEU 815.A O no hydrogen 3.152 N/A SER 819.A OG LEU 815.A O no hydrogen 3.424 N/A ARG 821.A NH2 GLU 825.A OE2 no hydrogen 3.415 N/A LEU 822.A N ILE 818.A O no hydrogen 3.037 N/A ARG 823.A N SER 819.A O no hydrogen 2.951 N/A ASP 824.A N ASP 820.A O no hydrogen 3.101 N/A GLU 825.A N ARG 821.A O no hydrogen 2.917 N/A GLU 825.A N LEU 822.A O no hydrogen 3.032 N/A LYS 826.A N ARG 823.A O no hydrogen 2.826 N/A LEU 827.A N LEU 822.A O no hydrogen 2.538 N/A ASP 828.A N ASP 831.A OD2 no hydrogen 3.302 N/A ARG 830.A N ASP 828.A OD1 no hydrogen 3.208 N/A ASP 831.A N ASP 828.A O no hydrogen 2.707 N/A LEU 832.A N TRP 829.A O no hydrogen 2.993 N/A GLN 836.A N THR 833.A OG1 no hydrogen 3.242 N/A CYS 837.A N THR 833.A O no hydrogen 2.748 N/A CYS 837.A SG THR 833.A O no hydrogen 3.207 N/A LEU 839.A N GLU 835.A O no hydrogen 3.429 N/A PHE 840.A N GLN 836.A O no hydrogen 2.792 N/A SER 841.A N CYS 837.A O no hydrogen 3.102 N/A SER 841.A OG CYS 837.A O no hydrogen 2.772 N/A TYR 842.A N GLU 838.A O no hydrogen 2.974 N/A ASP 843.A N LEU 839.A O no hydrogen 3.170 N/A VAL 845.A N SER 841.A O no hydrogen 3.397 N/A GLU 846.A N TYR 842.A O no hydrogen 3.089 N/A ARG 847.A N ASP 843.A O no hydrogen 3.092 N/A LEU 848.A N ALA 844.A O no hydrogen 3.230 N/A ALA 849.A N VAL 845.A O no hydrogen 2.562 N/A LYS 851.A N LEU 848.A O no hydrogen 2.658 N/A LEU 852.A N ALA 849.A O no hydrogen 3.077 N/A GLN 853.A NE2 LYS 801.A O no hydrogen 3.542 N/A ILE 856.A N GLN 853.A O no hydrogen 2.717 N/A LEU 858.A N GLU 855.A O no hydrogen 2.865 N/A SER 859.A N ILE 856.A O no hydrogen 2.946 N/A SER 859.A OG ILE 856.A O no hydrogen 2.550 N/A HIS 863.A ND1 SER 860.A OG no hydrogen 2.637 N/A TYR 865.A N ASN 861.A O no hydrogen 3.191 N/A VAL 866.A N ARG 862.A O no hydrogen 3.107 N/A LYS 867.A NZ GLU 846.A OE1 no hydrogen 2.909 N/A LYS 867.A NZ GLU 846.A OE2 no hydrogen 3.306 N/A LYS 869.A N TYR 865.A O no hydrogen 3.157 N/A LEU 870.A N VAL 866.A O no hydrogen 2.939 N/A GLN 871.A N LYS 867.A O no hydrogen 2.850 N/A GLN 871.A NE2 GLU 846.A OE2 no hydrogen 3.208 N/A LYS 872.A N GLU 868.A O no hydrogen 2.700 N/A ILE 873.A N LYS 869.A O no hydrogen 3.240 N/A VAL 874.A N LEU 870.A O no hydrogen 3.180 N/A THR 875.A N GLN 871.A O no hydrogen 2.869 N/A THR 875.A OG1 GLN 871.A O no hydrogen 3.299 N/A ARG 876.A N LYS 872.A O no hydrogen 3.173 N/A ARG 876.A NE ASP 994.A OD1 no hydrogen 2.741 N/A VAL 877.A N ILE 873.A O no hydrogen 2.923 N/A SER 878.A N VAL 874.A O no hydrogen 2.739 N/A SER 878.A OG SER 841.A OG no hydrogen 2.743 N/A SER 878.A OG VAL 874.A O no hydrogen 2.866 N/A GLY 879.A N THR 875.A O no hydrogen 3.207 N/A ILE 880.A N ARG 876.A O no hydrogen 2.869 N/A LEU 881.A N VAL 877.A O no hydrogen 2.938 N/A SER 882.A N SER 878.A O no hydrogen 3.201 N/A SER 882.A OG TRP 829.A O no hydrogen 2.600 N/A SER 882.A OG SER 878.A O no hydrogen 3.129 N/A GLU 883.A N GLY 879.A O no hydrogen 3.124 N/A HIS 884.A N ILE 880.A O no hydrogen 2.802 N/A ALA 885.A N LEU 881.A O no hydrogen 2.733 N/A ALA 885.A N SER 882.A O no hydrogen 2.930 N/A LYS 886.A N SER 882.A O no hydrogen 2.964 N/A LYS 886.A NZ GLU 883.A OE2 no hydrogen 3.191 N/A SER 888.A N HIS 884.A O no hydrogen 2.864 N/A SER 888.A OG PHE 890.A O no hydrogen 3.414 N/A GLY 889.A N LEU 1031.A O no hydrogen 2.574 N/A PHE 890.A N SER 888.A OG no hydrogen 2.962 N/A VAL 891.A N LYS 929.A O no hydrogen 2.776 N/A ILE 893.A N VAL 927.A O no hydrogen 2.815 N/A GLU 896.A N ASP 925.A O no hydrogen 2.914 N/A LEU 897.A N ILE 924.A O no hydrogen 2.894 N/A PHE 899.A N GLY 922.A O no hydrogen 3.042 N/A LEU 905.A N GLY 898.A O no hydrogen 3.005 N/A ASN 914.A ND2 THR 1085.A OG1 no hydrogen 3.071 N/A CYS 916.A N LEU 912.A O no hydrogen 3.379 N/A MET 918.A N PHE 910.A O no hydrogen 3.158 N/A LEU 920.A N LEU 908.A O no hydrogen 3.246 N/A VAL 921.A N GLY 771.A O no hydrogen 2.730 N/A GLY 922.A N PHE 899.A O no hydrogen 2.559 N/A ILE 924.A N LEU 897.A O no hydrogen 3.172 N/A VAL 927.A N GLY 894.A O no hydrogen 3.261 N/A ASP 928.A N ARG 939.A O no hydrogen 2.779 N/A LYS 929.A N VAL 891.A O no hydrogen 2.854 N/A ALA 930.A N LEU 937.A O no hydrogen 2.926 N/A SER 932.A N GLU 931.A OE1 no hydrogen 2.913 N/A SER 932.A N GLY 935.A O no hydrogen 3.121 N/A SER 932.A OG GLY 935.A O no hydrogen 2.965 N/A SER 933.A OG GLU 1027.A OE1 no hydrogen 3.306 N/A LYS 934.A N SER 932.A OG no hydrogen 3.279 N/A GLY 935.A N SER 932.A O no hydrogen 3.025 N/A LEU 937.A N ALA 930.A O no hydrogen 2.912 N/A LEU 938.A N THR 983.A O no hydrogen 3.443 N/A ARG 939.A N ASP 928.A O no hydrogen 2.917 N/A ARG 939.A NE ASP 928.A OD2 no hydrogen 3.465 N/A ILE 940.A N GLY 986.A O no hydrogen 3.294 N/A VAL 941.A N ARG 926.A O no hydrogen 2.858 N/A ALA 942.A N LEU 988.A O no hydrogen 3.055 N/A LYS 944.A N PHE 990.A O no hydrogen 2.663 N/A ALA 953.A N ASP 951.A OD1 no hydrogen 2.730 N/A VAL 955.A N ASP 951.A O no hydrogen 3.230 N/A TYR 956.A N LEU 952.A O no hydrogen 3.078 N/A GLY 958.A N VAL 955.A O no hydrogen 2.941 N/A LEU 959.A N GLU 954.A O no hydrogen 2.974 N/A LEU 961.A N GLU 777.A OE2 no hydrogen 2.851 N/A THR 965.A N LEU 961.A O no hydrogen 3.128 N/A TYR 966.A N GLN 962.A O no hydrogen 3.203 N/A LEU 967.A N MET 963.A O no hydrogen 2.878 N/A ASP 968.A N LEU 964.A O no hydrogen 3.380 N/A SER 970.A N TYR 966.A O no hydrogen 3.447 N/A SER 970.A OG TYR 966.A O no hydrogen 3.392 N/A ILE 971.A N LEU 967.A O no hydrogen 2.940 N/A THR 972.A N ASP 968.A O no hydrogen 2.580 N/A THR 972.A OG1 ASP 968.A O no hydrogen 3.310 N/A HIS 973.A N LEU 969.A O no hydrogen 2.647 N/A SER 974.A N ILE 971.A O no hydrogen 3.056 N/A SER 974.A OG MET 980.A O no hydrogen 2.678 N/A TRP 977.A N HIS 973.A O no hydrogen 2.731 N/A LEU 978.A N SER 974.A O no hydrogen 2.988 N/A GLY 979.A N ASP 976.A O no hydrogen 3.408 N/A MET 980.A N ALA 975.A O no hydrogen 3.242 N/A THR 983.A N LEU 936.A O no hydrogen 3.243 N/A ALA 985.A N LEU 938.A O no hydrogen 2.910 N/A VAL 987.A N LEU 1021.A O no hydrogen 2.844 N/A LEU 988.A N ILE 940.A O no hydrogen 2.805 N/A TYR 989.A N LYS 1019.A O no hydrogen 2.930 N/A PHE 990.A N ALA 942.A O no hydrogen 3.085 N/A ILE 992.A N LYS 944.A O no hydrogen 2.675 N/A SER 999.A OG LEU 1001.A O no hydrogen 3.553 N/A LEU 1001.A N SER 999.A OG no hydrogen 3.270 N/A GLY 1004.A N GLU 1007.A OE2 no hydrogen 3.122 N/A ILE 1008.A N GLY 1004.A O no hydrogen 2.925 N/A GLU 1009.A N LEU 1005.A O no hydrogen 3.249 N/A GLU 1011.A N GLU 1007.A O no hydrogen 3.063 N/A ILE 1012.A N ILE 1008.A O no hydrogen 2.891 N/A PHE 1013.A N GLU 1009.A O no hydrogen 2.959 N/A LYS 1014.A N GLN 1010.A O no hydrogen 2.826 N/A PHE 1016.A N PHE 1013.A O no hydrogen 3.154 N/A LYS 1017.A N LYS 1014.A O no hydrogen 2.918 N/A MET 1018.A N ILE 1043.A O no hydrogen 2.920 N/A LYS 1019.A NZ ASP 947.A OD1 no hydrogen 2.799 N/A LEU 1021.A N VAL 987.A O no hydrogen 2.932 N/A LEU 1022.A N ALA 1059.A O no hydrogen 3.007 N/A GLY 1024.A N VAL 1061.A O no hydrogen 3.000 N/A VAL 1028.A N ASP 1025.A OD1 no hydrogen 3.044 N/A ARG 1030.A N GLN 1026.A O no hydrogen 3.289 N/A LEU 1031.A N GLU 1027.A O no hydrogen 2.831 N/A MET 1032.A N VAL 1028.A O no hydrogen 3.160 N/A MET 1032.A N VAL 1029.A O no hydrogen 2.948 N/A ASP 1033.A N VAL 1029.A O no hydrogen 2.837 N/A THR 1034.A N ALA 887.A O no hydrogen 3.201 N/A THR 1034.A OG1 ALA 887.A O no hydrogen 2.597 N/A THR 1035.A N ASP 1033.A OD1 no hydrogen 2.959 N/A GLY 1039.A N LEU 1048.A O no hydrogen 3.068 N/A SER 1041.A N ALA 1046.A O no hydrogen 2.949 N/A SER 1041.A OG ASP 1033.A OD2 no hydrogen 2.850 N/A ILE 1043.A N SER 1041.A OG no hydrogen 3.321 N/A ILE 1044.A N SER 1041.A OG no hydrogen 3.324 N/A ALA 1046.A N ILE 1044.A O no hydrogen 3.091 N/A GLY 1047.A N SER 1058.A OG no hydrogen 3.394 N/A LEU 1048.A N GLY 1039.A O no hydrogen 3.001 N/A LYS 1049.A N SER 1053.A O no hydrogen 2.675 N/A GLY 1052.A N LYS 1049.A O no hydrogen 3.272 N/A SER 1053.A N ASP 1051.A OD1 no hydrogen 2.957 N/A SER 1053.A OG ASP 1051.A OD1 no hydrogen 2.706 N/A SER 1053.A OG ASP 1051.A OD2 no hydrogen 2.845 N/A SER 1058.A N ARG 1055.A O no hydrogen 3.089 N/A SER 1058.A OG ARG 1055.A O no hydrogen 2.789 N/A ALA 1059.A N ASN 1045.A O no hydrogen 3.264 N/A VAL 1061.A N LEU 1022.A O no hydrogen 2.779 N/A GLU 1065.A N GLU 1065.A OE1 no hydrogen 2.796 N/A PHE 1066.A N GLY 1062.A O no hydrogen 3.268 N/A ASP 1067.A N GLU 1063.A O no hydrogen 2.963 N/A LEU 1068.A N GLU 1065.A O no hydrogen 3.128 N/A LEU 1069.A N GLU 1065.A O no hydrogen 2.971 N/A THR 1070.A N PHE 1066.A O no hydrogen 3.097 N/A THR 1070.A OG1 ASP 968.A OD1 no hydrogen 2.538 N/A THR 1070.A OG1 ASP 968.A OD2 no hydrogen 2.602 N/A HIS 1072.A N LEU 1068.A O no hydrogen 3.200 N/A HIS 1072.A NE2 TYR 956.A O no hydrogen 2.798 N/A VAL 1073.A N LEU 1069.A O no hydrogen 2.816 N/A ARG 1074.A N THR 1070.A O no hydrogen 3.141 N/A ARG 1075.A N LYS 1071.A O no hydrogen 3.038 N/A THR 1076.A N HIS 1072.A O no hydrogen 3.100 N/A THR 1076.A OG1 HIS 1072.A O no hydrogen 2.995 N/A PHE 1077.A N VAL 1073.A O no hydrogen 3.140 N/A GLN 1078.A N ARG 1074.A O no hydrogen 3.011 N/A GLU 1079.A N ARG 1075.A O no hydrogen 2.827 N/A ALA 1080.A N THR 1076.A O no hydrogen 2.884 N/A GLY 1081.A N GLN 1078.A O no hydrogen 2.961 N/A GLU 1082.A N GLN 1078.A O no hydrogen 2.949 N/A GLN 1083.A N GLU 1079.A O no hydrogen 3.487 N/A THR 1085.A OG1 GLU 1082.A O no hydrogen 2.606 N/A ASP 1086.A N GLU 1082.A O no hydrogen 2.725 N/A GLY 1087.A N ILE 1084.A O no hydrogen 2.708 N/A ARG 1088.A N GLN 1083.A O no hydrogen 3.051 N/A ARG 1088.A NE SER 1090.A OG no hydrogen 3.079 N/A ARG 1088.A NH2 GLU 1092.A OE2 no hydrogen 3.148 N/A LYS 1095.A N ARG 1123.A O no hydrogen 3.265 N/A MET 1096.A N LYS 1099.A O no hydrogen 2.618 N/A TYR 1104.A N THR 1103.A OG1 no hydrogen 2.502 N/A LYS 1108.A NZ CYS 1102.A O no hydrogen 3.494 N/A LYS 1108.A NZ THR 1103.A O no hydrogen 3.554 N/A VAL 1110.A N PHE 1107.A O no hydrogen 2.891 N/A CYS 1111.A N PHE 1107.A O no hydrogen 2.955 N/A CYS 1111.A SG PHE 1107.A O no hydrogen 3.584 N/A CYS 1111.A SG LYS 1108.A O no hydrogen 3.158 N/A GLN 1112.A N LYS 1108.A O no hydrogen 2.916 N/A SER 1116.A OG ASP 1114.A OD1 no hydrogen 2.620 N/A ASN 1120.A ND2 ASN 751.A O no hydrogen 3.252 N/A ARG 1123.A N PRO 1093.A O no hydrogen 2.878 N/A THR 1132.A N LYS 1129.A O no hydrogen 2.517 N/A THR 1132.A OG1 GLU 1128.A OE1 no hydrogen 2.631 N/A THR 1132.A OG1 LYS 1129.A O no hydrogen 2.474 N/A LEU 1134.A N ASP 1130.A O no hydrogen 3.163 N/A GLU 1135.A N LYS 1131.A O no hydrogen 2.949 N/A GLU 1135.A N GLU 1135.A OE1 no hydrogen 2.684 N/A ILE 1137.A N ILE 1133.A O no hydrogen 3.041 N/A LYS 1138.A N LEU 1134.A O no hydrogen 3.128 N/A LYS 1139.A N GLU 1135.A O no hydrogen 3.007 N/A LYS 1139.A N TRP 1136.A O no hydrogen 3.155 N/A GLU 1140.A N TRP 1136.A O no hydrogen 3.328 N/A GLU 1140.A N ILE 1137.A O no hydrogen 3.005 N/A