Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kcw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N ASP 84.A OD1 no hydrogen 3.519 N/A LYS 3.A NZ TYR 5.A OH no hydrogen 3.385 N/A LYS 3.A NZ LYS 79.A O no hydrogen 2.726 N/A LYS 3.A NZ GLU 189.A OE2 no hydrogen 2.673 N/A HIS 4.A ND1 HIS 89.A NE2 no hydrogen 2.901 N/A TYR 5.A N TYR 87.A O no hydrogen 3.183 N/A TYR 5.A OH LYS 79.A O no hydrogen 2.999 N/A TYR 5.A OH GLU 189.A OE2 no hydrogen 2.869 N/A ILE 7.A N HIS 89.A O no hydrogen 2.708 N/A GLY 8.A N LEU 54.A O no hydrogen 3.052 N/A ILE 9.A N LYS 91.A O no hydrogen 3.014 N/A ILE 10.A N LEU 52.A O no hydrogen 3.361 N/A THR 12.A OG1 THR 13.A O no hydrogen 3.264 N/A TRP 14.A N TYR 48.A O no hydrogen 2.753 N/A TYR 16.A N ARG 46.A O no hydrogen 3.032 N/A TYR 16.A OH GLU 207.A OE2 no hydrogen 2.705 N/A LYS 23.A NZ SER 465.A OG no hydrogen 2.819 N/A LYS 24.A NZ ASP 19.A OD1 no hydrogen 3.165 N/A LYS 24.A NZ PHE 248.A O no hydrogen 2.919 N/A VAL 28.A N ILE 26.A O no hydrogen 2.129 N/A SER 33.A N GLU 31.A O no hydrogen 2.548 N/A SER 33.A OG GLU 31.A O no hydrogen 3.348 N/A ILE 35.A N SER 33.A O no hydrogen 2.679 N/A TYR 36.A OH GLU 236.A OE1 no hydrogen 2.902 N/A LEU 37.A N SER 33.A O no hydrogen 3.116 N/A GLY 40.A N ASN 39.A OD1 no hydrogen 2.935 N/A TYR 48.A N TRP 14.A O no hydrogen 2.934 N/A TYR 48.A OH ASN 238.A OD1 no hydrogen 2.468 N/A LYS 49.A N ASN 216.A OD1 no hydrogen 2.651 N/A LYS 49.A NZ ASP 215.A OD2 no hydrogen 2.818 N/A LYS 50.A N THR 12.A O no hydrogen 2.653 N/A LYS 50.A NZ ALA 171.A O no hydrogen 3.179 N/A LYS 50.A NZ SER 172.A O no hydrogen 3.227 N/A LYS 50.A NZ GLU 207.A OE2 no hydrogen 2.529 N/A LEU 52.A N ILE 10.A O no hydrogen 2.847 N/A TYR 53.A OH THR 99.A O no hydrogen 2.508 N/A LEU 54.A N GLY 8.A O no hydrogen 2.932 N/A TYR 56.A N TYR 6.A O no hydrogen 2.748 N/A THR 57.A N THR 63.A O no hydrogen 2.730 N/A THR 57.A OG1 THR 63.A O no hydrogen 2.747 N/A GLU 59.A N GLU 59.A OE1 no hydrogen 3.035 N/A ARG 62.A N THR 60.A O no hydrogen 2.659 N/A ILE 65.A N GLN 55.A O no hydrogen 2.576 N/A LYS 67.A NZ TYR 53.A O no hydrogen 2.982 N/A LYS 67.A NZ LEU 74.A O no hydrogen 2.900 N/A LEU 71.A N PRO 68.A O no hydrogen 3.019 N/A GLY 72.A N VAL 69.A O no hydrogen 3.353 N/A LEU 74.A N LEU 71.A O no hydrogen 3.410 N/A GLY 75.A N ILE 175.A O no hydrogen 2.918 N/A ILE 78.A N PRO 177.A O no hydrogen 3.160 N/A LYS 79.A N TYR 5.A OH no hydrogen 3.360 N/A LYS 79.A NZ GLU 189.A O no hydrogen 2.854 N/A LYS 79.A NZ GLU 197.A OE1 no hydrogen 2.801 N/A ALA 80.A N ILE 179.A O no hydrogen 3.322 N/A GLU 81.A N ASP 84.A OD2 no hydrogen 3.027 N/A THR 82.A OG1 CYS 181.A O no hydrogen 3.172 N/A GLY 83.A N ALA 142.A O no hydrogen 2.752 N/A ASP 84.A N GLU 81.A O no hydrogen 3.250 N/A LYS 85.A N LYS 1.A O no hydrogen 3.236 N/A TYR 87.A N LYS 3.A O no hydrogen 3.023 N/A VAL 88.A N TYR 138.A O no hydrogen 2.665 N/A HIS 89.A N TYR 5.A O no hydrogen 2.784 N/A HIS 89.A NE2 HIS 4.A ND1 no hydrogen 2.901 N/A LEU 90.A N TYR 136.A O no hydrogen 2.986 N/A LYS 91.A N ILE 7.A O no hydrogen 2.858 N/A ASN 92.A N GLU 134.A O no hydrogen 3.394 N/A SER 95.A N GLU 11.A OE1 no hydrogen 3.124 N/A SER 95.A OG GLU 11.A OE1 no hydrogen 2.923 N/A SER 95.A OG GLU 11.A OE2 no hydrogen 2.908 N/A TYR 98.A N VAL 130.A O no hydrogen 3.006 N/A TYR 98.A OH TYR 212.A OH no hydrogen 2.754 N/A THR 99.A N SER 162.A OG no hydrogen 3.033 N/A THR 99.A OG1 GLY 113.A O no hydrogen 2.762 N/A PHE 100.A N TYR 138.A OH no hydrogen 3.222 N/A HIS 101.A N HIS 161.A O no hydrogen 3.025 N/A HIS 101.A ND1 GLU 112.A O no hydrogen 2.859 N/A HIS 103.A ND1 ASP 972.A OD1 no hydrogen 2.870 N/A HIS 103.A NE2 HIS 161.A NE2 no hydrogen 2.815 N/A THR 106.A N LEU 141.A O no hydrogen 2.961 N/A THR 106.A OG1 LEU 141.A O no hydrogen 2.645 N/A THR 106.A OG1 THR 143.A OG1 no hydrogen 2.731 N/A LYS 109.A NZ GLU 112.A OE1 no hydrogen 2.975 N/A LYS 109.A NZ ASP 118.A OD2 no hydrogen 2.723 N/A LYS 109.A NZ ILE 993.A O no hydrogen 2.585 N/A HIS 111.A N TYR 108.A O no hydrogen 2.597 N/A GLU 112.A N ASP 127.A OD2 no hydrogen 2.949 N/A GLY 113.A N ASP 127.A OD2 no hydrogen 3.196 N/A ALA 114.A N ASP 128.A OD1 no hydrogen 3.157 N/A ILE 115.A N HIS 163.A O no hydrogen 3.482 N/A TYR 116.A OH GLU 112.A OE1 no hydrogen 2.661 N/A TYR 116.A OH GLU 112.A OE2 no hydrogen 2.413 N/A THR 120.A N ASP 118.A OD1 no hydrogen 3.384 N/A THR 120.A OG1 ASP 118.A OD1 no hydrogen 2.626 N/A THR 120.A OG1 ASP 118.A OD2 no hydrogen 3.254 N/A GLN 124.A N THR 121.A O no hydrogen 2.800 N/A ARG 125.A N ASP 122.A O no hydrogen 3.057 N/A ARG 125.A NH2 TYR 116.A O no hydrogen 2.818 N/A LYS 129.A NZ LEU 723.A O no hydrogen 3.065 N/A LYS 129.A NZ GLU 725.A OE2 no hydrogen 2.966 N/A VAL 130.A N TYR 98.A O no hydrogen 3.153 N/A TYR 131.A N GLU 134.A OE1 no hydrogen 2.974 N/A GLY 133.A N ASN 92.A O no hydrogen 3.000 N/A GLU 134.A N TYR 131.A O no hydrogen 2.985 N/A TYR 136.A N LEU 90.A O no hydrogen 2.982 N/A TYR 138.A N VAL 88.A O no hydrogen 2.803 N/A TYR 138.A OH ASP 127.A O no hydrogen 2.841 N/A LEU 140.A N VAL 86.A O no hydrogen 2.734 N/A LEU 141.A N THR 106.A O no hydrogen 2.805 N/A ALA 142.A N ASP 84.A O no hydrogen 3.054 N/A THR 143.A OG1 THR 106.A OG1 no hydrogen 2.731 N/A GLN 146.A N THR 143.A O no hydrogen 3.319 N/A SER 147.A N GLU 144.A O no hydrogen 3.145 N/A SER 147.A OG PRO 148.A O no hydrogen 3.306 N/A GLY 149.A N ASP 152.A OD2 no hydrogen 2.917 N/A GLY 151.A N VAL 968.A O no hydrogen 2.753 N/A ASP 152.A N GLY 149.A O no hydrogen 2.929 N/A ASN 154.A ND2 GLU 191.A OE2 no hydrogen 3.224 N/A VAL 156.A N ILE 180.A O no hydrogen 2.962 N/A THR 157.A OG1 LEU 266.A O no hydrogen 3.040 N/A ARG 158.A N LEU 178.A O no hydrogen 2.706 N/A ARG 158.A NH1 THR 157.A O no hydrogen 3.243 N/A TYR 160.A N GLY 176.A O no hydrogen 2.944 N/A TYR 160.A OH PRO 76.A O no hydrogen 2.764 N/A HIS 161.A N HIS 101.A O no hydrogen 2.946 N/A HIS 161.A ND1 SER 162.A O no hydrogen 3.029 N/A HIS 161.A NE2 HIS 103.A NE2 no hydrogen 2.815 N/A SER 162.A N LEU 174.A O no hydrogen 3.403 N/A SER 162.A OG THR 99.A O no hydrogen 3.364 N/A SER 162.A OG ASP 169.A OD2 no hydrogen 2.479 N/A HIS 163.A N THR 99.A OG1 no hydrogen 2.872 N/A HIS 163.A ND1 HIS 163.A O no hydrogen 2.775 N/A ILE 164.A N ASP 169.A OD2 no hydrogen 3.191 N/A LYS 168.A N ASP 165.A OD1 no hydrogen 3.418 N/A LYS 168.A NZ PHE 209.A O no hydrogen 3.223 N/A ASP 169.A N ASP 165.A O no hydrogen 2.795 N/A ILE 170.A N ALA 166.A O no hydrogen 2.750 N/A ALA 171.A N PRO 167.A O no hydrogen 2.833 N/A SER 172.A N LYS 168.A O no hydrogen 2.787 N/A SER 172.A OG LYS 168.A O no hydrogen 3.004 N/A SER 172.A OG SER 210.A OG no hydrogen 3.093 N/A GLY 173.A N ILE 170.A O no hydrogen 2.968 N/A LEU 174.A N ASP 169.A O no hydrogen 3.148 N/A GLY 176.A N TYR 160.A O no hydrogen 2.946 N/A LEU 178.A N ARG 158.A O no hydrogen 2.756 N/A ILE 179.A N ILE 78.A O no hydrogen 2.963 N/A ILE 180.A N VAL 156.A O no hydrogen 3.309 N/A CYS 181.A N ALA 80.A O no hydrogen 3.024 N/A CYS 181.A SG ASN 154.A O no hydrogen 3.514 N/A LYS 182.A N ASN 154.A O no hydrogen 2.718 N/A LYS 182.A NZ GLY 149.A O no hydrogen 3.298 N/A SER 185.A N LYS 182.A O no hydrogen 3.464 N/A SER 185.A OG LYS 182.A O no hydrogen 2.505 N/A ASP 187.A N LYS 190.A O no hydrogen 2.682 N/A LYS 190.A NZ ILE 194.A O no hydrogen 3.544 N/A GLU 191.A N GLU 197.A OE2 no hydrogen 3.111 N/A LYS 192.A N SER 185.A O no hydrogen 2.882 N/A LYS 192.A NZ ASP 184.A O no hydrogen 2.455 N/A ILE 194.A N GLU 191.A O no hydrogen 3.219 N/A ASP 195.A N ARG 261.A O no hydrogen 2.926 N/A ARG 196.A NE SER 255.A O no hydrogen 3.416 N/A PHE 198.A N LYS 263.A O no hydrogen 3.178 N/A VAL 200.A N TYR 265.A O no hydrogen 2.974 N/A MET 201.A N ASN 244.A OD1 no hydrogen 2.923 N/A PHE 202.A N PHE 267.A O no hydrogen 3.172 N/A SER 203.A N SER 242.A O no hydrogen 3.303 N/A SER 203.A OG MET 269.A O no hydrogen 3.260 N/A VAL 204.A N ASP 274.A OD2 no hydrogen 3.173 N/A GLU 207.A N ASN 238.A O no hydrogen 2.877 N/A ASN 208.A N ASP 206.A OD1 no hydrogen 2.743 N/A ASN 208.A ND2 ASP 206.A OD1 no hydrogen 2.992 N/A ASN 208.A ND2 GLN 235.A O no hydrogen 2.856 N/A PHE 209.A N ASP 206.A O no hydrogen 2.937 N/A SER 210.A OG SER 172.A OG no hydrogen 3.093 N/A TRP 211.A N SER 172.A OG no hydrogen 2.797 N/A TRP 211.A NE1 ASP 169.A OD1 no hydrogen 2.882 N/A TYR 212.A N SER 210.A OG no hydrogen 3.367 N/A LEU 213.A N SER 210.A O no hydrogen 3.211 N/A ASN 216.A N TYR 212.A O no hydrogen 2.926 N/A ASN 216.A N LEU 213.A O no hydrogen 2.935 N/A ASN 216.A ND2 LYS 49.A O no hydrogen 3.287 N/A ILE 217.A N LEU 213.A O no hydrogen 2.806 N/A LYS 218.A N GLU 214.A O no hydrogen 2.898 N/A THR 219.A OG1 ASP 215.A O no hydrogen 2.730 N/A TYR 220.A N ASN 216.A O no hydrogen 2.991 N/A CYS 221.A N ILE 217.A O no hydrogen 3.109 N/A CYS 221.A SG ASP 42.A O no hydrogen 2.670 N/A CYS 221.A SG ILE 217.A O no hydrogen 3.358 N/A SER 222.A N GLY 40.A O no hydrogen 2.871 N/A GLU 223.A N PRO 41.A O no hydrogen 3.155 N/A LYS 226.A N GLU 223.A O no hydrogen 2.752 N/A LYS 229.A NZ GLU 214.A OE1 no hydrogen 3.503 N/A ASP 230.A N ASP 228.A OD1 no hydrogen 3.117 N/A ASN 231.A N ASP 228.A O no hydrogen 3.334 N/A GLN 235.A N ASN 231.A O no hydrogen 2.912 N/A GLU 236.A N GLU 232.A O no hydrogen 2.826 N/A SER 237.A N ASP 233.A O no hydrogen 2.843 N/A SER 237.A OG ASP 233.A O no hydrogen 2.842 N/A SER 237.A OG PHE 234.A O no hydrogen 2.326 N/A ASN 238.A N GLN 235.A O no hydrogen 2.790 N/A ASN 238.A ND2 ASN 208.A OD1 no hydrogen 3.460 N/A ARG 239.A N GLU 236.A O no hydrogen 3.112 N/A MET 240.A N VAL 205.A O no hydrogen 3.159 N/A TYR 241.A OH GLU 236.A OE2 no hydrogen 2.786 N/A SER 242.A N SER 203.A O no hydrogen 2.980 N/A SER 242.A OG SER 203.A O no hydrogen 3.542 N/A SER 242.A OG MET 240.A O no hydrogen 2.703 N/A ASN 244.A ND2 TRP 70.A O no hydrogen 2.688 N/A ASN 244.A ND2 VAL 199.A O no hydrogen 2.797 N/A GLY 245.A N VAL 243.A O no hydrogen 2.430 N/A TYR 246.A OH VAL 69.A O no hydrogen 3.216 N/A THR 247.A OG1 TYR 16.A O no hydrogen 3.300 N/A GLY 249.A N GLN 330.A O no hydrogen 3.151 N/A MET 256.A N GLN 334.A O no hydrogen 2.880 N/A CYS 257.A N ASP 260.A OD2 no hydrogen 2.752 N/A ALA 258.A N GLN 336.A O no hydrogen 3.030 N/A GLU 259.A N ALA 309.A O no hydrogen 2.594 N/A ARG 261.A NE HIS 193.A O no hydrogen 2.970 N/A LYS 263.A N ARG 196.A O no hydrogen 3.051 N/A TRP 264.A N ALA 305.A O no hydrogen 2.761 N/A TYR 265.A N PHE 198.A O no hydrogen 3.013 N/A LEU 266.A N PHE 303.A O no hydrogen 2.669 N/A GLY 268.A N THR 301.A O no hydrogen 3.344 N/A ASN 271.A N ASP 274.A OD1 no hydrogen 2.788 N/A GLU 272.A N ASN 271.A OD1 no hydrogen 2.637 N/A ASP 274.A N ASN 271.A O no hydrogen 3.176 N/A HIS 276.A N LEU 297.A O no hydrogen 2.998 N/A HIS 276.A NE2 ASP 274.A OD2 no hydrogen 2.664 N/A ALA 278.A N ILE 295.A O no hydrogen 2.914 N/A PHE 279.A N SER 318.A O no hydrogen 2.797 N/A HIS 281.A ND1 MET 316.A O no hydrogen 3.072 N/A GLN 283.A N PHE 280.A O no hydrogen 3.100 N/A THR 286.A OG1 ALA 284.A O no hydrogen 2.544 N/A ASN 287.A ND2 TYR 306.A O no hydrogen 3.626 N/A ARG 291.A N ASP 496.A OD2 no hydrogen 3.152 N/A ILE 295.A N ALA 278.A O no hydrogen 2.837 N/A LEU 297.A N HIS 276.A O no hydrogen 3.370 N/A PHE 298.A N THR 301.A OG1 no hydrogen 2.723 N/A ALA 300.A N GLY 268.A O no hydrogen 3.321 N/A THR 301.A N PHE 298.A O no hydrogen 2.946 N/A THR 301.A OG1 PHE 298.A O no hydrogen 3.124 N/A THR 301.A OG1 ASP 975.A OD2 no hydrogen 2.622 N/A PHE 303.A N LEU 266.A O no hydrogen 3.287 N/A ALA 305.A N TRP 264.A O no hydrogen 2.837 N/A MET 307.A N VAL 262.A O no hydrogen 2.774 N/A ALA 309.A N ASP 260.A O no hydrogen 2.788 N/A GLN 310.A N GLN 283.A OE1 no hydrogen 2.736 N/A GLN 310.A NE2 GLU 489.A OE2 no hydrogen 3.388 N/A ASN 311.A ND2 PHE 455.A O no hydrogen 2.989 N/A GLY 313.A N VAL 335.A O no hydrogen 2.919 N/A TRP 315.A N PHE 333.A O no hydrogen 3.186 N/A TRP 315.A NE1 ASN 311.A O no hydrogen 2.605 N/A LEU 317.A N ALA 331.A O no hydrogen 3.208 N/A SER 318.A N PHE 279.A O no hydrogen 2.901 N/A CYS 319.A SG HIS 276.A ND1 no hydrogen 3.529 N/A CYS 319.A SG HIS 324.A ND1 no hydrogen 3.733 N/A GLN 320.A N ALA 277.A O no hydrogen 2.764 N/A ASN 321.A ND2 VAL 275.A O no hydrogen 2.785 N/A HIS 324.A N ASN 321.A OD1 no hydrogen 3.500 N/A LEU 325.A N ASN 321.A O no hydrogen 2.888 N/A LYS 326.A N LEU 322.A O no hydrogen 3.078 N/A LYS 326.A NZ GLU 554.A OE1 no hydrogen 3.106 N/A ALA 327.A N HIS 324.A O no hydrogen 3.028 N/A GLY 328.A N LEU 325.A O no hydrogen 3.192 N/A GLN 330.A NE2 ILE 26.A O no hydrogen 3.155 N/A ALA 331.A N LEU 317.A O no hydrogen 2.926 N/A GLN 334.A N LEU 254.A O no hydrogen 2.945 N/A VAL 335.A N GLY 313.A O no hydrogen 3.352 N/A GLN 336.A N MET 256.A O no hydrogen 2.811 N/A CYS 338.A SG GLN 336.A O no hydrogen 3.458 N/A ARG 340.A NH2 GLU 483.A OE1 no hydrogen 3.155 N/A ARG 345.A N THR 433.A O no hydrogen 2.954 N/A HIS 346.A NE2 THR 437.A OG1 no hydrogen 3.031 N/A TYR 347.A N ARG 435.A O no hydrogen 2.961 N/A TYR 347.A OH TRP 427.A O no hydrogen 2.702 N/A ILE 349.A N THR 437.A O no hydrogen 2.880 N/A ALA 350.A N ARG 399.A O no hydrogen 3.214 N/A ALA 351.A N HIS 439.A O no hydrogen 3.264 N/A GLU 352.A N VAL 397.A O no hydrogen 2.968 N/A ILE 354.A N LYS 395.A O no hydrogen 3.074 N/A TRP 356.A N TYR 393.A O no hydrogen 2.998 N/A TRP 356.A NE1 GLY 590.A O no hydrogen 2.951 N/A TYR 358.A OH GLU 552.A OE2 no hydrogen 3.389 N/A ALA 359.A N ASN 357.A OD1 no hydrogen 3.017 N/A SER 361.A OG ILE 363.A O no hydrogen 3.233 N/A GLY 362.A N ALA 359.A O no hydrogen 2.717 N/A ILE 363.A N SER 361.A OG no hydrogen 3.387 N/A ASP 364.A N GLU 369.A O no hydrogen 2.975 N/A ILE 365.A N TYR 593.A O no hydrogen 2.860 N/A PHE 366.A N ASP 364.A OD1 no hydrogen 3.206 N/A LYS 368.A N ASP 364.A O no hydrogen 2.530 N/A LYS 368.A NZ ILE 365.A O no hydrogen 2.928 N/A LEU 371.A N GLY 362.A O no hydrogen 3.213 N/A ALA 373.A N ASN 370.A O no hydrogen 2.858 N/A SER 376.A OG ALA 373.A O no hydrogen 3.209 N/A SER 376.A OG SER 378.A OG no hydrogen 3.021 N/A SER 378.A OG LEU 371.A O no hydrogen 3.334 N/A SER 378.A OG SER 376.A OG no hydrogen 3.021 N/A ALA 379.A N SER 376.A OG no hydrogen 3.187 N/A PHE 381.A N SER 378.A O no hydrogen 2.768 N/A PHE 382.A N SER 378.A O no hydrogen 3.201 N/A PHE 382.A N ALA 379.A O no hydrogen 2.816 N/A GLU 383.A N ALA 379.A O no hydrogen 2.672 N/A GLY 385.A N ARG 388.A O no hydrogen 3.202 N/A THR 386.A OG1 THR 387.A OG1 no hydrogen 3.413 N/A THR 386.A OG1 GLN 571.A OE1 no hydrogen 3.423 N/A THR 387.A OG1 THR 386.A OG1 no hydrogen 3.413 N/A TYR 393.A N TRP 356.A O no hydrogen 2.774 N/A TYR 393.A OH GLY 390.A O no hydrogen 3.190 N/A TYR 393.A OH ASN 583.A OD1 no hydrogen 2.753 N/A LYS 394.A N ASN 561.A OD1 no hydrogen 2.525 N/A LYS 394.A NZ GLU 353.A OE1 no hydrogen 2.608 N/A LYS 395.A N ILE 354.A O no hydrogen 2.559 N/A LYS 395.A NZ TYR 358.A OH no hydrogen 3.476 N/A LYS 395.A NZ PHE 515.A O no hydrogen 3.056 N/A LYS 395.A NZ THR 516.A O no hydrogen 3.042 N/A LYS 395.A NZ GLU 552.A OE1 no hydrogen 3.075 N/A LYS 395.A NZ GLU 552.A OE2 no hydrogen 2.531 N/A LEU 396.A N THR 516.A O no hydrogen 3.194 N/A VAL 397.A N GLU 352.A O no hydrogen 2.717 N/A TYR 398.A OH SER 447.A O no hydrogen 2.803 N/A ARG 399.A N ALA 350.A O no hydrogen 3.068 N/A ARG 399.A NH1 TYR 398.A O no hydrogen 2.780 N/A ARG 399.A NH1 ILE 421.A O no hydrogen 3.560 N/A ARG 399.A NH1 LEU 422.A O no hydrogen 2.973 N/A TYR 401.A N TYR 348.A O no hydrogen 3.113 N/A TYR 401.A OH GLU 352.A OE2 no hydrogen 2.583 N/A THR 402.A N ASN 408.A O no hydrogen 3.040 N/A THR 402.A OG1 ASN 408.A O no hydrogen 2.934 N/A SER 405.A N ASP 403.A OD2 no hydrogen 3.419 N/A SER 405.A OG ASP 403.A OD2 no hydrogen 3.458 N/A THR 407.A N SER 405.A O no hydrogen 2.592 N/A THR 407.A OG1 SER 405.A O no hydrogen 3.170 N/A ASN 408.A ND2 ASN 408.A O no hydrogen 2.621 N/A ARG 412.A NH1 GLY 420.A O no hydrogen 2.842 N/A ARG 412.A NH2 LEU 422.A O no hydrogen 2.760 N/A GLU 417.A N PRO 414.A O no hydrogen 3.129 N/A HIS 418.A ND1 GLU 415.A O no hydrogen 3.116 N/A LEU 419.A N GLU 416.A O no hydrogen 3.113 N/A GLY 420.A N GLU 417.A O no hydrogen 3.394 N/A ILE 421.A N ASN 589.A O no hydrogen 2.849 N/A LEU 422.A N LEU 419.A O no hydrogen 3.045 N/A GLY 423.A N ILE 519.A O no hydrogen 3.138 N/A ILE 426.A N PRO 521.A O no hydrogen 3.433 N/A TRP 427.A N TYR 347.A OH no hydrogen 3.051 N/A ALA 428.A N LYS 523.A O no hydrogen 3.083 N/A GLU 429.A N ASP 432.A OD2 no hydrogen 2.885 N/A VAL 430.A N CYS 525.A O no hydrogen 2.708 N/A GLY 431.A N VAL 486.A O no hydrogen 2.679 N/A THR 433.A N HIS 343.A O no hydrogen 3.360 N/A THR 433.A OG1 GLY 341.A O no hydrogen 2.374 N/A ILE 434.A N TRP 484.A O no hydrogen 2.716 N/A ARG 435.A N ARG 345.A O no hydrogen 2.818 N/A VAL 436.A N TYR 482.A O no hydrogen 3.151 N/A THR 437.A N TYR 347.A O no hydrogen 2.745 N/A THR 437.A OG1 HIS 346.A NE2 no hydrogen 3.031 N/A PHE 438.A N PHE 480.A O no hydrogen 2.765 N/A HIS 439.A N ILE 349.A O no hydrogen 2.844 N/A ASN 440.A ND2 TYR 444.A O no hydrogen 2.848 N/A ASN 440.A ND2 VAL 474.A O no hydrogen 3.194 N/A GLY 442.A N ASN 440.A OD1 no hydrogen 2.795 N/A LEU 446.A N VAL 474.A O no hydrogen 3.158 N/A SER 447.A OG GLY 461.A O no hydrogen 2.873 N/A ILE 448.A N TYR 482.A OH no hydrogen 2.983 N/A GLU 449.A N TYR 505.A O no hydrogen 2.609 N/A ILE 451.A N MET 503.A O no hydrogen 3.042 N/A ARG 454.A N THR 485.A O no hydrogen 2.808 N/A LYS 457.A NZ GLU 460.A OE1 no hydrogen 3.204 N/A ASN 458.A N ASN 456.A OD1 no hydrogen 2.698 N/A ASN 459.A N ASN 456.A O no hydrogen 2.924 N/A ASN 459.A ND2 ASN 456.A OD1 no hydrogen 2.661 N/A THR 462.A OG1 GLU 449.A OE2 no hydrogen 3.518 N/A THR 462.A OG1 GLU 460.A OE2 no hydrogen 3.377 N/A TYR 464.A OH GLU 460.A OE1 no hydrogen 3.002 N/A SER 465.A N LEU 25.A O no hydrogen 2.691 N/A SER 470.A N HIS 473.A O no hydrogen 2.679 N/A HIS 473.A N SER 470.A O no hydrogen 2.605 N/A VAL 474.A N LEU 446.A O no hydrogen 3.266 N/A ALA 475.A N GLU 478.A OE2 no hydrogen 3.141 N/A GLU 478.A N ALA 475.A O no hydrogen 2.828 N/A PHE 480.A N PHE 438.A O no hydrogen 2.959 N/A TYR 482.A N VAL 436.A O no hydrogen 2.970 N/A TYR 482.A OH ALA 471.A O no hydrogen 2.879 N/A GLU 483.A N ASN 459.A OD1 no hydrogen 2.839 N/A TRP 484.A N ILE 434.A O no hydrogen 2.796 N/A THR 485.A N ARG 454.A O no hydrogen 2.815 N/A VAL 486.A N ASP 432.A O no hydrogen 3.017 N/A GLU 489.A N GLU 489.A OE1 no hydrogen 2.894 N/A VAL 490.A N LYS 488.A O no hydrogen 2.601 N/A GLY 491.A N LYS 488.A O no hydrogen 2.918 N/A THR 493.A N ASP 496.A OD2 no hydrogen 2.847 N/A THR 493.A OG1 ASP 496.A OD2 no hydrogen 2.716 N/A ASP 496.A N THR 493.A O no hydrogen 2.866 N/A LEU 500.A N ILE 524.A O no hydrogen 2.988 N/A ALA 501.A N THR 649.A OG1 no hydrogen 2.884 N/A LYS 502.A N MET 522.A O no hydrogen 2.911 N/A TYR 504.A N GLY 520.A O no hydrogen 2.918 N/A TYR 504.A OH PRO 424.A O no hydrogen 3.210 N/A TYR 505.A N GLU 449.A O no hydrogen 2.819 N/A SER 506.A N LEU 518.A O no hydrogen 3.069 N/A SER 506.A OG SER 447.A O no hydrogen 3.428 N/A SER 506.A OG ASP 513.A OD2 no hydrogen 2.810 N/A VAL 508.A N ASP 513.A OD2 no hydrogen 3.048 N/A ASP 509.A N ASP 513.A OD2 no hydrogen 2.998 N/A THR 511.A OG1 ASP 29.A OD2 no hydrogen 2.711 N/A THR 511.A OG1 ASP 509.A OD1 no hydrogen 3.559 N/A LYS 512.A N ASP 509.A O no hydrogen 2.887 N/A ASP 513.A N ASP 509.A O no hydrogen 2.861 N/A THR 516.A N ASP 513.A O no hydrogen 2.880 N/A THR 516.A OG1 LYS 512.A O no hydrogen 3.036 N/A THR 516.A OG1 SER 555.A OG no hydrogen 3.121 N/A GLY 517.A N ASP 513.A O no hydrogen 3.315 N/A GLY 517.A N ILE 514.A O no hydrogen 2.673 N/A LEU 518.A N ASP 513.A O no hydrogen 3.522 N/A ILE 519.A N GLY 517.A O no hydrogen 3.119 N/A GLY 520.A N TYR 504.A O no hydrogen 2.745 N/A MET 522.A N LYS 502.A O no hydrogen 3.126 N/A LYS 523.A N ILE 426.A O no hydrogen 2.956 N/A LYS 523.A NZ GLY 534.A O no hydrogen 2.832 N/A LYS 523.A NZ GLU 542.A OE1 no hydrogen 2.815 N/A LYS 523.A NZ TYR 544.A OH no hydrogen 3.061 N/A CYS 525.A N ALA 428.A O no hydrogen 2.958 N/A LYS 526.A N VAL 498.A O no hydrogen 2.941 N/A SER 529.A N GLU 429.A OE2 no hydrogen 2.878 N/A SER 529.A OG LYS 526.A O no hydrogen 2.676 N/A LEU 530.A N GLU 429.A OE2 no hydrogen 2.858 N/A HIS 531.A N ARG 535.A O no hydrogen 2.900 N/A ASN 533.A N ASN 533.A OD1 no hydrogen 2.474 N/A GLY 534.A N HIS 531.A O no hydrogen 2.880 N/A ARG 535.A NH1 VAL 539.A O no hydrogen 3.478 N/A GLN 536.A N GLU 542.A OE2 no hydrogen 2.674 N/A GLN 536.A NE2 TYR 610.A OH no hydrogen 3.446 N/A ASP 540.A N SER 606.A O no hydrogen 2.945 N/A LYS 541.A N SER 606.A O no hydrogen 3.164 N/A LYS 541.A NZ THR 600.A O no hydrogen 3.084 N/A PHE 543.A N VAL 608.A O no hydrogen 3.042 N/A TYR 544.A N HIS 418.A NE2 no hydrogen 3.025 N/A LEU 545.A N TYR 610.A O no hydrogen 2.891 N/A PHE 546.A N ASN 589.A OD1 no hydrogen 2.765 N/A THR 548.A N SER 587.A O no hydrogen 2.978 N/A PHE 550.A N MET 585.A O no hydrogen 2.744 N/A GLU 552.A N ASN 583.A O no hydrogen 2.756 N/A ASN 553.A ND2 ASP 551.A OD1 no hydrogen 3.152 N/A ASN 553.A ND2 GLN 580.A O no hydrogen 2.865 N/A GLU 554.A N ASP 551.A O no hydrogen 3.196 N/A SER 555.A N GLU 552.A O no hydrogen 2.967 N/A SER 555.A OG THR 516.A OG1 no hydrogen 3.121 N/A LEU 556.A N THR 516.A OG1 no hydrogen 2.759 N/A LEU 558.A N SER 555.A O no hydrogen 3.127 N/A ASN 561.A N LEU 557.A O no hydrogen 2.991 N/A ASN 561.A ND2 LYS 394.A O no hydrogen 2.820 N/A ILE 562.A N LEU 558.A O no hydrogen 2.809 N/A ILE 562.A N GLU 559.A O no hydrogen 2.657 N/A ARG 563.A N GLU 559.A O no hydrogen 2.852 N/A MET 564.A N ASP 560.A O no hydrogen 2.752 N/A PHE 565.A N ASN 561.A O no hydrogen 3.308 N/A THR 566.A N ILE 562.A O no hydrogen 2.968 N/A THR 566.A OG1 ILE 562.A O no hydrogen 2.337 N/A THR 567.A N GLY 385.A O no hydrogen 3.002 N/A VAL 572.A N PRO 569.A O no hydrogen 2.337 N/A GLU 575.A N ASP 573.A OD1 no hydrogen 3.390 N/A ASP 576.A N ASP 573.A O no hydrogen 3.342 N/A GLN 580.A N ASP 576.A O no hydrogen 3.094 N/A GLN 580.A NE2 ASP 576.A O no hydrogen 3.018 N/A GLU 581.A N GLU 577.A O no hydrogen 3.050 N/A GLU 581.A N ASP 578.A O no hydrogen 3.245 N/A SER 582.A N ASP 578.A O no hydrogen 3.149 N/A SER 582.A OG PHE 579.A O no hydrogen 2.806 N/A ASN 583.A ND2 ASN 553.A OD1 no hydrogen 3.088 N/A LYS 584.A N GLU 581.A O no hydrogen 2.744 N/A MET 585.A N PHE 550.A O no hydrogen 2.536 N/A SER 587.A N THR 548.A O no hydrogen 2.940 N/A SER 587.A OG MET 585.A O no hydrogen 3.255 N/A MET 588.A N PHE 591.A O no hydrogen 2.798 N/A ASN 589.A N PHE 546.A O no hydrogen 2.723 N/A ASN 589.A ND2 HIS 418.A O no hydrogen 3.185 N/A ASN 589.A ND2 TYR 544.A O no hydrogen 2.763 N/A ASN 589.A ND2 GLN 596.A OE1 no hydrogen 3.633 N/A PHE 591.A N MET 588.A O no hydrogen 2.693 N/A TYR 593.A N GLY 673.A O no hydrogen 3.126 N/A TYR 593.A OH THR 671.A O no hydrogen 2.714 N/A ASN 595.A N MET 592.A O no hydrogen 2.869 N/A ASN 595.A ND2 SER 361.A OG no hydrogen 2.548 N/A GLN 596.A N GLN 676.A OE1 no hydrogen 2.945 N/A MET 601.A N THR 679.A O no hydrogen 2.871 N/A CYS 602.A N ASP 605.A OD2 no hydrogen 2.766 N/A LYS 603.A N ASN 681.A O no hydrogen 2.744 N/A GLY 604.A N PRO 654.A O no hydrogen 3.154 N/A ASP 605.A N CYS 602.A O no hydrogen 2.836 N/A SER 606.A N ASP 540.A OD2 no hydrogen 2.889 N/A SER 606.A OG HIS 651.A NE2 no hydrogen 2.839 N/A VAL 607.A N MET 652.A O no hydrogen 2.792 N/A VAL 608.A N LYS 541.A O no hydrogen 2.815 N/A TRP 609.A N LEU 650.A O no hydrogen 2.814 N/A TYR 610.A N PHE 543.A O no hydrogen 3.002 N/A TYR 610.A OH GLU 542.A OE1 no hydrogen 2.874 N/A LEU 611.A N LEU 648.A O no hydrogen 2.882 N/A PHE 612.A N LEU 545.A O no hydrogen 3.157 N/A SER 613.A N THR 646.A O no hydrogen 3.140 N/A SER 613.A OG PRO 547.A O no hydrogen 3.114 N/A SER 613.A OG ALA 614.A O no hydrogen 3.384 N/A SER 613.A OG HIS 621.A NE2 no hydrogen 3.421 N/A ASP 619.A N ASN 616.A O no hydrogen 3.177 N/A HIS 621.A N LEU 642.A O no hydrogen 2.758 N/A HIS 621.A ND1 HIS 669.A ND1 no hydrogen 2.877 N/A ILE 623.A N ALA 640.A O no hydrogen 2.769 N/A TYR 624.A N GLU 663.A O no hydrogen 2.535 N/A TYR 624.A OH TYR 845.A OH no hydrogen 2.602 N/A PHE 625.A N ASP 638.A O no hydrogen 3.263 N/A SER 626.A N ASN 661.A O no hydrogen 2.822 N/A ASN 628.A ND2 TYR 678.A OH no hydrogen 3.483 N/A THR 629.A OG1 ARG 829.A O no hydrogen 2.698 N/A TYR 630.A N ARG 637.A O no hydrogen 2.963 N/A LEU 631.A N HIS 651.A O no hydrogen 2.852 N/A TRP 632.A N GLU 635.A O no hydrogen 3.131 N/A GLU 635.A N TRP 632.A O no hydrogen 2.668 N/A ARG 636.A N ASP 836.A OD2 no hydrogen 2.805 N/A ARG 636.A NH1 GLY 831.A O no hydrogen 3.375 N/A ARG 637.A N TYR 630.A O no hydrogen 3.489 N/A THR 639.A OG1 ASP 638.A OD1 no hydrogen 3.045 N/A ALA 640.A N ILE 623.A O no hydrogen 2.852 N/A ASN 641.A ND2 THR 980.A OG1 no hydrogen 2.886 N/A LEU 642.A N HIS 621.A O no hydrogen 2.945 N/A PHE 643.A N THR 646.A OG1 no hydrogen 2.634 N/A GLN 645.A N SER 613.A O no hydrogen 2.835 N/A THR 646.A N PHE 643.A O no hydrogen 3.056 N/A THR 646.A OG1 PHE 643.A O no hydrogen 2.621 N/A SER 647.A OG ALA 501.A O no hydrogen 3.302 N/A LEU 648.A N LEU 611.A O no hydrogen 2.782 N/A THR 649.A OG1 CYS 499.A O no hydrogen 3.184 N/A LEU 650.A N TRP 609.A O no hydrogen 2.704 N/A HIS 651.A NE2 SER 606.A OG no hydrogen 2.839 N/A MET 652.A N VAL 607.A O no hydrogen 2.976 N/A ASP 655.A N ASN 628.A OD1 no hydrogen 2.914 N/A GLY 658.A N VAL 680.A O no hydrogen 2.977 N/A THR 659.A OG1 THR 679.A OG1 no hydrogen 3.050 N/A PHE 660.A N TYR 678.A O no hydrogen 3.018 N/A VAL 662.A N GLN 676.A O no hydrogen 2.918 N/A GLU 663.A N TYR 624.A O no hydrogen 2.828 N/A CYS 664.A N MET 674.A O no hydrogen 3.166 N/A CYS 664.A SG HIS 621.A ND1 no hydrogen 3.878 N/A CYS 664.A SG HIS 669.A ND1 no hydrogen 3.561 N/A LEU 665.A N GLY 622.A O no hydrogen 2.602 N/A THR 666.A OG1 VAL 620.A O no hydrogen 3.437 N/A HIS 669.A ND1 HIS 621.A ND1 no hydrogen 2.877 N/A HIS 669.A NE2 GLU 948.A OE2 no hydrogen 2.880 N/A TYR 670.A N THR 666.A O no hydrogen 3.206 N/A THR 671.A N THR 667.A O no hydrogen 2.869 N/A THR 671.A OG1 THR 667.A O no hydrogen 2.906 N/A THR 671.A OG1 ASP 668.A O no hydrogen 3.329 N/A GLY 672.A N ASP 668.A O no hydrogen 2.705 N/A GLY 673.A N TYR 670.A O no hydrogen 3.144 N/A MET 674.A N HIS 669.A O no hydrogen 2.918 N/A GLN 676.A N VAL 662.A O no hydrogen 2.825 N/A TYR 678.A N PHE 660.A O no hydrogen 2.906 N/A TYR 678.A OH SER 626.A O no hydrogen 2.674 N/A THR 679.A N LEU 599.A O no hydrogen 2.768 N/A THR 679.A OG1 THR 659.A OG1 no hydrogen 3.050 N/A VAL 680.A N GLY 658.A O no hydrogen 2.728 N/A ASN 681.A N MET 601.A O no hydrogen 2.824 N/A ASN 681.A ND2 MET 601.A O no hydrogen 3.471 N/A CYS 683.A SG ASN 681.A O no hydrogen 3.677 N/A ARG 697.A N LYS 784.A O no hydrogen 3.346 N/A ARG 697.A NE ASP 783.A OD2 no hydrogen 2.588 N/A ARG 697.A NH2 ASP 780.A OD2 no hydrogen 3.210 N/A TYR 699.A N LYS 786.A O no hydrogen 2.911 N/A TYR 699.A OH HIS 778.A O no hydrogen 2.465 N/A ILE 701.A N ILE 788.A O no hydrogen 2.784 N/A ALA 702.A N ARG 750.A O no hydrogen 3.140 N/A ALA 703.A N LYS 790.A O no hydrogen 3.146 N/A VAL 704.A N VAL 748.A O no hydrogen 2.692 N/A VAL 706.A N LYS 746.A O no hydrogen 2.816 N/A TRP 708.A N TYR 744.A O no hydrogen 3.025 N/A TRP 708.A NE1 GLY 921.A O no hydrogen 2.825 N/A TYR 710.A N SER 742.A O no hydrogen 2.903 N/A TYR 710.A OH GLU 883.A OE1 no hydrogen 2.731 N/A SER 711.A N ASP 709.A OD1 no hydrogen 2.952 N/A SER 711.A OG GLN 713.A O no hydrogen 3.150 N/A GLN 713.A N ASN 926.A OD1 no hydrogen 2.978 N/A ARG 714.A NE GLU 717.A OE1 no hydrogen 2.946 N/A ARG 714.A NH1 ASP 734.A OD1 no hydrogen 2.898 N/A ARG 714.A NH2 GLU 717.A OE1 no hydrogen 2.816 N/A ARG 714.A NH2 GLU 717.A OE2 no hydrogen 3.278 N/A ARG 714.A NH2 ASP 734.A OD1 no hydrogen 3.287 N/A LYS 718.A N ARG 714.A O no hydrogen 2.939 N/A GLU 719.A N GLU 715.A O no hydrogen 2.758 N/A LEU 720.A N TRP 716.A O no hydrogen 2.902 N/A HIS 721.A N GLU 717.A O no hydrogen 3.051 N/A HIS 722.A N LYS 718.A O no hydrogen 3.162 N/A LEU 723.A N GLU 719.A O no hydrogen 3.317 N/A GLN 724.A N LEU 720.A O no hydrogen 3.313 N/A GLN 724.A NE2 ILE 164.A O no hydrogen 2.855 N/A GLU 725.A N HIS 721.A O no hydrogen 2.719 N/A GLN 726.A N HIS 721.A O no hydrogen 3.448 N/A GLN 726.A NE2 ASP 165.A OD2 no hydrogen 2.744 N/A ASN 730.A ND2 GLU 717.A OE2 no hydrogen 3.100 N/A LEU 733.A N ASN 730.A OD1 no hydrogen 2.811 N/A ASP 734.A N ASN 730.A O no hydrogen 3.173 N/A LYS 735.A NZ TYR 739.A O no hydrogen 2.957 N/A LYS 735.A NZ TYR 896.A O no hydrogen 2.512 N/A PHE 738.A N GLU 737.A OE1 no hydrogen 3.027 N/A SER 742.A OG ASP 709.A OD1 no hydrogen 3.267 N/A LYS 743.A NZ ASP 709.A OD2 no hydrogen 2.602 N/A TYR 744.A N TRP 708.A O no hydrogen 2.949 N/A TYR 744.A OH ASN 914.A OD1 no hydrogen 3.075 N/A LYS 745.A N ASN 892.A OD1 no hydrogen 2.866 N/A LYS 746.A N VAL 706.A O no hydrogen 2.916 N/A LYS 746.A NZ TYR 855.A O no hydrogen 2.801 N/A LYS 746.A NZ GLU 883.A OE1 no hydrogen 3.012 N/A LYS 746.A NZ GLU 883.A OE2 no hydrogen 2.953 N/A VAL 747.A N SER 856.A O no hydrogen 3.062 N/A VAL 748.A N VAL 704.A O no hydrogen 2.644 N/A TYR 749.A OH SER 798.A O no hydrogen 2.688 N/A ARG 750.A N ALA 702.A O no hydrogen 2.985 N/A ARG 750.A NH1 TYR 749.A O no hydrogen 3.498 N/A ARG 750.A NH1 ILE 772.A O no hydrogen 3.452 N/A ARG 750.A NH1 LEU 773.A O no hydrogen 2.630 N/A ARG 750.A NH2 GLY 771.A O no hydrogen 3.175 N/A TYR 752.A N TYR 700.A O no hydrogen 2.850 N/A THR 753.A N VAL 759.A O no hydrogen 2.931 N/A THR 753.A OG1 VAL 759.A O no hydrogen 2.861 N/A THR 756.A N ASP 754.A OD1 no hydrogen 3.057 N/A THR 756.A OG1 ASP 754.A OD1 no hydrogen 2.486 N/A PHE 757.A N ASP 754.A O no hydrogen 2.845 N/A VAL 761.A N GLN 751.A O no hydrogen 3.012 N/A ARG 763.A NH2 LEU 773.A O no hydrogen 2.770 N/A LYS 764.A N GLU 767.A OE2 no hydrogen 2.983 N/A GLU 767.A N LYS 764.A O no hydrogen 3.194 N/A GLU 768.A N ALA 765.A O no hydrogen 3.057 N/A LEU 770.A N GLU 767.A O no hydrogen 3.301 N/A GLY 771.A N GLU 768.A O no hydrogen 3.446 N/A ILE 772.A N ASN 920.A O no hydrogen 3.019 N/A LEU 773.A N LEU 770.A O no hydrogen 2.990 N/A GLY 774.A N ILE 859.A O no hydrogen 2.903 N/A LEU 777.A N PRO 861.A O no hydrogen 3.104 N/A HIS 778.A N TYR 699.A OH no hydrogen 3.114 N/A HIS 778.A NE2 GLU 873.A OE2 no hydrogen 3.078 N/A ALA 779.A N ILE 863.A O no hydrogen 3.037 N/A ASP 780.A N ASP 783.A OD2 no hydrogen 2.853 N/A VAL 781.A N CYS 865.A O no hydrogen 3.055 N/A GLY 782.A N ILE 826.A O no hydrogen 2.701 N/A ASP 783.A N ASP 780.A O no hydrogen 3.184 N/A VAL 785.A N TRP 824.A O no hydrogen 2.815 N/A LYS 786.A N ARG 697.A O no hydrogen 2.898 N/A ILE 787.A N TYR 822.A O no hydrogen 2.776 N/A ILE 788.A N TYR 699.A O no hydrogen 2.771 N/A PHE 789.A N LEU 820.A O no hydrogen 2.971 N/A LYS 790.A N ILE 701.A O no hydrogen 2.917 N/A ASN 791.A N GLU 818.A O no hydrogen 3.018 N/A MET 792.A N ALA 703.A O no hydrogen 3.132 N/A THR 794.A N GLU 705.A OE2 no hydrogen 2.915 N/A THR 794.A OG1 GLU 705.A OE2 no hydrogen 2.820 N/A TYR 797.A N THR 814.A O no hydrogen 3.184 N/A TYR 797.A OH TYR 888.A OH no hydrogen 2.886 N/A SER 798.A N SER 846.A OG no hydrogen 3.160 N/A SER 798.A OG THR 847.A OG1 no hydrogen 2.691 N/A HIS 800.A N TYR 845.A O no hydrogen 2.793 N/A HIS 802.A N ALA 843.A O no hydrogen 3.055 N/A GLY 803.A N ASP 638.A OD2 no hydrogen 3.177 N/A VAL 804.A N HIS 802.A O no hydrogen 2.799 N/A GLN 805.A N LYS 825.A O no hydrogen 3.258 N/A GLN 805.A NE2 ASP 655.A OD2 no hydrogen 3.476 N/A THR 806.A OG1 SER 808.A O no hydrogen 3.145 N/A SER 808.A OG THR 810.A O no hydrogen 3.504 N/A SER 809.A OG THR 659.A O no hydrogen 3.226 N/A THR 814.A N TYR 797.A O no hydrogen 2.711 N/A THR 814.A OG1 TYR 822.A OH no hydrogen 2.672 N/A LEU 815.A N GLU 818.A OE2 no hydrogen 3.414 N/A GLY 817.A N ASN 791.A O no hydrogen 2.737 N/A GLU 818.A N LEU 815.A O no hydrogen 3.219 N/A LEU 820.A N PHE 789.A O no hydrogen 2.920 N/A TYR 822.A N ILE 787.A O no hydrogen 2.958 N/A TYR 822.A OH THR 812.A O no hydrogen 2.626 N/A TYR 822.A OH THR 814.A OG1 no hydrogen 2.672 N/A TRP 824.A N VAL 785.A O no hydrogen 2.896 N/A LYS 825.A N GLN 805.A O no hydrogen 3.135 N/A ILE 826.A N ASP 783.A O no hydrogen 3.048 N/A ARG 829.A NE ASP 655.A OD2 no hydrogen 2.997 N/A ARG 829.A NH1 GLY 803.A O no hydrogen 3.117 N/A ARG 829.A NH2 GLY 627.A O no hydrogen 3.020 N/A ARG 829.A NH2 ASP 655.A OD1 no hydrogen 2.772 N/A ARG 829.A NH2 ASP 655.A OD2 no hydrogen 3.486 N/A SER 830.A N PRO 827.A O no hydrogen 2.874 N/A SER 830.A OG GLY 803.A O no hydrogen 2.631 N/A GLY 831.A N GLU 828.A O no hydrogen 2.954 N/A GLY 833.A N ASP 836.A OD2 no hydrogen 3.010 N/A GLU 835.A N GLY 634.A O no hydrogen 2.864 N/A SER 837.A OG TYR 963.A O no hydrogen 3.484 N/A ILE 840.A N VAL 864.A O no hydrogen 3.255 N/A TRP 842.A N LEU 862.A O no hydrogen 2.766 N/A TRP 842.A NE1 SER 830.A O no hydrogen 3.026 N/A TYR 844.A N GLY 860.A O no hydrogen 2.775 N/A TYR 844.A OH PRO 775.A O no hydrogen 2.739 N/A TYR 845.A N HIS 800.A O no hydrogen 2.755 N/A TYR 845.A OH TYR 624.A OH no hydrogen 2.602 N/A SER 846.A OG SER 798.A O no hydrogen 3.276 N/A SER 846.A OG ASP 853.A OD2 no hydrogen 2.852 N/A THR 847.A N SER 798.A OG no hydrogen 3.132 N/A THR 847.A OG1 SER 798.A OG no hydrogen 2.691 N/A ASP 849.A N ASP 853.A OD2 no hydrogen 2.884 N/A VAL 851.A N ASP 849.A OD1 no hydrogen 3.038 N/A LYS 852.A N ASP 849.A OD1 no hydrogen 2.945 N/A ASP 853.A N ASP 849.A O no hydrogen 3.023 N/A LEU 854.A N VAL 851.A O no hydrogen 2.988 N/A TYR 855.A N VAL 851.A O no hydrogen 3.233 N/A SER 856.A N LYS 852.A O no hydrogen 2.944 N/A SER 856.A OG LYS 852.A O no hydrogen 2.694 N/A GLY 857.A N LEU 854.A O no hydrogen 2.607 N/A GLY 860.A N TYR 844.A O no hydrogen 3.161 N/A LEU 862.A N TRP 842.A O no hydrogen 2.791 N/A ILE 863.A N LEU 777.A O no hydrogen 2.864 N/A VAL 864.A N ILE 840.A O no hydrogen 2.967 N/A CYS 865.A N ALA 779.A O no hydrogen 3.086 N/A ARG 866.A N ALA 838.A O no hydrogen 2.790 N/A ARG 870.A NH1 HIS 933.A ND1 no hydrogen 2.658 N/A ARG 870.A NH2 HIS 933.A ND1 no hydrogen 3.272 N/A LEU 872.A N GLU 937.A O no hydrogen 2.854 N/A PHE 874.A N ASN 939.A O no hydrogen 2.824 N/A ALA 875.A N HIS 769.A NE2 no hydrogen 3.022 N/A LEU 876.A N TYR 941.A O no hydrogen 2.797 N/A LEU 877.A N ASN 920.A OD1 no hydrogen 2.548 N/A PHE 878.A N MET 943.A O no hydrogen 3.290 N/A LEU 879.A N ALA 918.A O no hydrogen 3.409 N/A VAL 880.A N ASP 950.A OD1 no hydrogen 2.958 N/A GLU 883.A N PHE 881.A O no hydrogen 2.916 N/A GLU 883.A N ASN 914.A O no hydrogen 3.144 N/A ASN 884.A N ASP 882.A OD1 no hydrogen 3.042 N/A ASN 884.A ND2 ASP 882.A OD1 no hydrogen 3.190 N/A ASN 884.A ND2 ILE 911.A O no hydrogen 2.820 N/A GLU 885.A N ASP 882.A O no hydrogen 2.823 N/A SER 886.A OG GLU 883.A OE2 no hydrogen 3.449 N/A TRP 887.A N SER 856.A OG no hydrogen 2.930 N/A TRP 887.A NE1 ASP 853.A OD1 no hydrogen 2.936 N/A TYR 888.A N SER 886.A OG no hydrogen 2.991 N/A TYR 888.A OH GLU 705.A OE2 no hydrogen 2.642 N/A TYR 888.A OH TYR 797.A OH no hydrogen 2.886 N/A ASP 891.A N TYR 888.A O no hydrogen 2.933 N/A ASN 892.A N TYR 888.A O no hydrogen 3.094 N/A ILE 893.A N LEU 889.A O no hydrogen 3.055 N/A LYS 894.A N ASP 890.A O no hydrogen 3.286 N/A LYS 894.A NZ ASP 890.A OD1 no hydrogen 3.314 N/A THR 895.A N ASP 891.A O no hydrogen 2.593 N/A THR 895.A OG1 ASP 891.A O no hydrogen 2.813 N/A TYR 896.A N ASN 892.A O no hydrogen 2.672 N/A SER 897.A N ILE 893.A O no hydrogen 2.970 N/A SER 897.A OG PHE 738.A O no hydrogen 2.511 N/A LYS 902.A N HIS 899.A O no hydrogen 3.024 N/A VAL 903.A N PRO 900.A O no hydrogen 2.789 N/A LYS 905.A NZ ASP 890.A OD1 no hydrogen 3.077 N/A LYS 905.A NZ ASP 890.A OD2 no hydrogen 2.797 N/A ASP 906.A N ASN 904.A OD1 no hydrogen 3.232 N/A ASP 907.A N ASN 904.A O no hydrogen 2.787 N/A GLU 909.A N ASP 907.A OD1 no hydrogen 3.398 N/A ILE 911.A N ASP 907.A O no hydrogen 2.992 N/A GLU 912.A N GLU 908.A O no hydrogen 3.115 N/A SER 913.A N GLU 909.A O no hydrogen 3.006 N/A SER 913.A OG PHE 910.A O no hydrogen 2.689 N/A SER 913.A OG ASN 914.A OD1 no hydrogen 3.341 N/A ASN 914.A N ILE 911.A O no hydrogen 2.999 N/A ASN 914.A ND2 ASN 884.A OD1 no hydrogen 2.943 N/A LYS 915.A N GLU 912.A O no hydrogen 2.863 N/A MET 916.A N PHE 881.A O no hydrogen 3.137 N/A MET 916.A N ASN 914.A O no hydrogen 3.013 N/A HIS 917.A ND1 LYS 915.A O no hydrogen 2.512 N/A HIS 917.A NE2 ASP 1002.A OD2 no hydrogen 2.906 N/A ILE 919.A N ARG 922.A O no hydrogen 3.280 N/A ASN 920.A N LEU 877.A O no hydrogen 3.004 N/A ASN 920.A ND2 HIS 769.A O no hydrogen 2.809 N/A ASN 920.A ND2 ALA 875.A O no hydrogen 2.722 N/A ARG 922.A N ILE 919.A O no hydrogen 2.749 N/A ARG 922.A NH2 ASP 709.A O no hydrogen 2.865 N/A MET 923.A N TYR 710.A O no hydrogen 3.041 N/A PHE 924.A N GLY 1007.A O no hydrogen 2.943 N/A GLY 925.A N GLU 1009.A O no hydrogen 3.014 N/A ASN 926.A ND2 GLN 713.A O no hydrogen 2.752 N/A ASN 926.A ND2 MET 923.A O no hydrogen 3.324 N/A ASN 926.A ND2 PHE 924.A O no hydrogen 3.205 N/A THR 931.A N GLY 929.A O no hydrogen 3.071 N/A MET 932.A N THR 1013.A O no hydrogen 3.071 N/A HIS 933.A N ASP 936.A OD2 no hydrogen 2.873 N/A VAL 934.A N LEU 1015.A O no hydrogen 2.886 N/A GLY 935.A N PRO 988.A O no hydrogen 3.206 N/A ASP 936.A N HIS 933.A O no hydrogen 3.109 N/A GLU 937.A N ARG 870.A O no hydrogen 3.226 N/A VAL 938.A N MET 986.A O no hydrogen 2.767 N/A ASN 939.A N LEU 872.A O no hydrogen 2.837 N/A ASN 939.A ND2 VAL 938.A O no hydrogen 3.142 N/A TRP 940.A N LEU 984.A O no hydrogen 2.916 N/A TYR 941.A N PHE 874.A O no hydrogen 2.717 N/A TYR 941.A OH GLU 873.A OE2 no hydrogen 2.630 N/A LEU 942.A N GLN 982.A O no hydrogen 2.695 N/A MET 943.A N LEU 876.A O no hydrogen 3.066 N/A GLY 944.A N THR 980.A O no hydrogen 2.740 N/A ASN 947.A N TYR 855.A OH no hydrogen 2.996 N/A GLU 948.A N ASN 947.A OD1 no hydrogen 2.613 N/A ASP 950.A N ASN 947.A O no hydrogen 3.139 N/A LEU 951.A N ILE 949.A O no hydrogen 2.530 N/A HIS 952.A N ILE 976.A O no hydrogen 2.804 N/A HIS 952.A NE2 ASP 950.A OD1 no hydrogen 2.623 N/A THR 953.A OG1 PRO 299.A O no hydrogen 2.938 N/A VAL 954.A N PHE 974.A O no hydrogen 2.889 N/A HIS 955.A N HIS 997.A O no hydrogen 2.854 N/A HIS 955.A ND1 ASP 972.A O no hydrogen 2.835 N/A HIS 957.A N LEU 995.A O no hydrogen 2.888 N/A HIS 959.A ND1 TYR 1012.A OH no hydrogen 2.813 N/A SER 960.A OG GLU 145.A O no hydrogen 3.515 N/A PHE 961.A N SER 971.A O no hydrogen 3.021 N/A GLN 962.A N GLU 985.A O no hydrogen 2.926 N/A TYR 963.A N TYR 969.A O no hydrogen 2.890 N/A LYS 964.A NZ GLU 835.A OE1 no hydrogen 3.359 N/A LYS 964.A NZ TYR 969.A OH no hydrogen 3.143 N/A HIS 965.A N GLU 835.A O no hydrogen 2.823 N/A ARG 966.A NH1 GLU 150.A OE2 no hydrogen 2.944 N/A ARG 966.A NH2 GLU 150.A OE1 no hydrogen 3.536 N/A GLY 967.A N LYS 964.A O no hydrogen 2.817 N/A SER 970.A N ASP 152.A OD2 no hydrogen 2.749 N/A SER 970.A OG SER 147.A O no hydrogen 3.335 N/A SER 971.A N PHE 961.A O no hydrogen 3.261 N/A SER 971.A OG VAL 973.A O no hydrogen 2.859 N/A VAL 973.A N SER 971.A OG no hydrogen 2.942 N/A PHE 974.A N VAL 954.A O no hydrogen 2.813 N/A ILE 976.A N HIS 952.A O no hydrogen 2.832 N/A PHE 977.A N THR 980.A OG1 no hydrogen 3.287 N/A GLY 979.A N GLY 944.A O no hydrogen 2.961 N/A THR 980.A N PHE 977.A O no hydrogen 2.815 N/A THR 980.A OG1 PHE 977.A O no hydrogen 2.705 N/A GLN 982.A N LEU 942.A O no hydrogen 2.624 N/A GLN 982.A NE2 TYR 981.A O no hydrogen 3.459 N/A LEU 984.A N TRP 940.A O no hydrogen 2.867 N/A GLU 985.A N GLN 962.A O no hydrogen 3.144 N/A MET 986.A N VAL 938.A O no hydrogen 2.993 N/A ARG 989.A N HIS 959.A NE2 no hydrogen 2.992 N/A THR 990.A N HIS 959.A NE2 no hydrogen 3.139 N/A GLY 992.A N VAL 1014.A O no hydrogen 2.896 N/A TRP 994.A N TYR 1012.A O no hydrogen 2.927 N/A LEU 995.A N TYR 116.A OH no hydrogen 3.332 N/A LEU 996.A N THR 1010.A O no hydrogen 2.729 N/A HIS 997.A N HIS 955.A O no hydrogen 3.053 N/A HIS 997.A ND1 CYS 998.A O no hydrogen 3.262 N/A CYS 998.A N MET 1008.A O no hydrogen 3.218 N/A CYS 998.A SG LEU 951.A O no hydrogen 4.043 N/A CYS 998.A SG HIS 952.A ND1 no hydrogen 3.761 N/A CYS 998.A SG THR 953.A O no hydrogen 3.662 N/A CYS 998.A SG HIS 1003.A ND1 no hydrogen 3.715 N/A HIS 999.A N THR 953.A O no hydrogen 2.704 N/A HIS 999.A ND1 HIS 999.A O no hydrogen 2.905 N/A HIS 999.A NE2 HIS 103.A NE2 no hydrogen 3.023 N/A THR 1001.A N GLY 270.A O no hydrogen 3.371 N/A THR 1001.A OG1 GLY 270.A O no hydrogen 3.151 N/A ASP 1002.A N ASN 271.A OD1 no hydrogen 2.884 N/A HIS 1003.A ND1 HIS 952.A ND1 no hydrogen 3.029 N/A HIS 1003.A NE2 GLU 272.A OE1 no hydrogen 2.735 N/A ILE 1004.A N VAL 1000.A O no hydrogen 3.137 N/A HIS 1005.A N THR 1001.A O no hydrogen 3.344 N/A ALA 1006.A N ASP 1002.A O no hydrogen 2.925 N/A ALA 1006.A N HIS 1003.A O no hydrogen 3.185 N/A GLY 1007.A N ILE 1004.A O no hydrogen 2.852 N/A MET 1008.A N HIS 1003.A O no hydrogen 3.109 N/A GLU 1009.A N GLY 1007.A O no hydrogen 2.560 N/A THR 1010.A N LEU 996.A O no hydrogen 2.830 N/A THR 1010.A OG1 GLY 925.A O no hydrogen 3.148 N/A THR 1010.A OG1 LEU 927.A O no hydrogen 3.066 N/A TYR 1012.A N TRP 994.A O no hydrogen 2.835 N/A TYR 1012.A OH HIS 957.A O no hydrogen 2.846 N/A TYR 1012.A OH HIS 959.A ND1 no hydrogen 2.813 N/A THR 1013.A N LEU 930.A O no hydrogen 3.002 N/A VAL 1014.A N GLY 992.A O no hydrogen 2.912 N/A LEU 1015.A N MET 932.A O no hydrogen 2.833 N/A