Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5wby_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N GLU 1.A O no hydrogen 3.201 N/A CYS 6.A SG ALA 3.A O no hydrogen 3.202 N/A ALA 8.A N ALA 4.A O no hydrogen 3.445 N/A ALA 10.A N CYS 6.A O no hydrogen 3.001 N/A LYS 11.A N ARG 7.A O no hydrogen 3.097 N/A ALA 12.A N ALA 8.A O no hydrogen 3.199 N/A LEU 13.A N TYR 9.A O no hydrogen 2.825 N/A HIS 14.A N ALA 10.A O no hydrogen 3.270 N/A TYR 15.A N LYS 11.A O no hydrogen 3.470 N/A LYS 16.A N ALA 12.A O no hydrogen 2.957 N/A LYS 16.A NZ SER 31.A OG no hydrogen 3.198 N/A GLU 17.A N LEU 13.A O no hydrogen 2.742 N/A LEU 18.A N HIS 14.A O no hydrogen 3.000 N/A GLU 19.A N TYR 15.A O no hydrogen 2.802 N/A PHE 20.A N LYS 16.A O no hydrogen 3.114 N/A GLN 21.A N GLU 17.A O no hydrogen 2.943 N/A GLN 21.A NE2 ASN 943.A OD1 no hydrogen 3.448 N/A GLY 23.A N GLU 19.A O no hydrogen 3.238 N/A ILE 28.A N THR 25.A OG1 no hydrogen 3.258 N/A LEU 29.A N THR 25.A O no hydrogen 2.958 N/A GLU 30.A N PRO 26.A O no hydrogen 2.925 N/A SER 31.A OG ALA 27.A O no hydrogen 3.166 N/A SER 31.A OG ILE 28.A O no hydrogen 2.973 N/A LEU 32.A N LEU 29.A O no hydrogen 3.378 N/A ILE 33.A N LEU 29.A O no hydrogen 3.334 N/A ASN 36.A N LEU 32.A O no hydrogen 3.296 N/A ASN 37.A N ILE 33.A O no hydrogen 2.869 N/A LYS 38.A N SER 34.A O no hydrogen 2.831 N/A GLN 40.A N ASN 37.A O no hydrogen 3.012 N/A GLN 41.A N ASN 36.A O no hydrogen 3.382 N/A ALA 46.A N PRO 42.A O no hydrogen 2.828 N/A LEU 49.A N ALA 45.A O no hydrogen 3.340 N/A GLU 50.A N ALA 46.A O no hydrogen 3.134 N/A TYR 51.A N GLY 47.A O no hydrogen 3.152 N/A ALA 52.A N VAL 48.A O no hydrogen 2.973 N/A MET 53.A N LEU 49.A O no hydrogen 2.784 N/A LYS 54.A N GLU 50.A O no hydrogen 3.125 N/A HIS 55.A N TYR 51.A O no hydrogen 3.093 N/A PHE 56.A N ALA 52.A O no hydrogen 3.203 N/A THR 64.A N ILE 61.A O no hydrogen 2.688 N/A TRP 65.A N ILE 61.A O no hydrogen 3.395 N/A TYR 66.A N GLN 62.A O no hydrogen 3.265 N/A GLU 67.A N ALA 63.A O no hydrogen 2.828 N/A LYS 68.A N THR 64.A O no hydrogen 3.075 N/A LEU 69.A N TRP 65.A O no hydrogen 3.099 N/A HIS 70.A N GLU 67.A O no hydrogen 3.223 N/A GLU 71.A N TYR 66.A O no hydrogen 2.937 N/A ALA 75.A N GLU 71.A O no hydrogen 2.972 N/A LEU 76.A N TRP 72.A O no hydrogen 2.807 N/A ALA 78.A N ASP 74.A O no hydrogen 3.138 N/A TYR 79.A N ALA 75.A O no hydrogen 2.884 N/A TYR 79.A OH GLU 67.A OE1 no hydrogen 2.702 N/A ASP 80.A N LEU 76.A O no hydrogen 3.294 N/A LYS 81.A N VAL 77.A O no hydrogen 3.230 N/A LYS 82.A N ALA 78.A O no hydrogen 3.245 N/A MET 83.A N TYR 79.A O no hydrogen 2.696 N/A ASP 84.A N ASP 80.A O no hydrogen 3.078 N/A THR 85.A OG1 LYS 81.A O no hydrogen 2.710 N/A ASN 86.A N LYS 82.A O no hydrogen 3.162 N/A MET 93.A N ASP 89.A O no hydrogen 3.022 N/A GLY 95.A N GLU 91.A O no hydrogen 3.212 N/A ARG 96.A N LEU 92.A O no hydrogen 2.926 N/A ARG 98.A N LEU 94.A O no hydrogen 2.974 N/A ARG 98.A NH1 GLU 67.A OE2 no hydrogen 3.066 N/A CYS 99.A N GLY 95.A O no hydrogen 3.475 N/A CYS 99.A SG TRP 72.A O no hydrogen 3.989 N/A CYS 99.A SG GLY 95.A O no hydrogen 3.462 N/A LEU 100.A N ARG 96.A O no hydrogen 3.358 N/A GLU 101.A N MET 97.A O no hydrogen 2.909 N/A ALA 102.A N ARG 98.A O no hydrogen 3.236 N/A LEU 103.A N CYS 99.A O no hydrogen 3.101 N/A GLY 104.A N LEU 100.A O no hydrogen 3.098 N/A GLU 105.A N LEU 100.A O no hydrogen 2.837 N/A LEU 109.A N GLU 105.A O no hydrogen 2.956 N/A HIS 110.A N TRP 106.A O no hydrogen 2.991 N/A GLN 111.A N GLY 107.A O no hydrogen 3.272 N/A GLN 112.A N GLN 108.A O no hydrogen 2.807 N/A GLN 112.A NE2 GLN 108.A OE1 no hydrogen 3.422 N/A CYS 113.A N LEU 109.A O no hydrogen 3.263 N/A CYS 113.A SG TYR 148.A OH no hydrogen 3.534 N/A CYS 114.A N HIS 110.A O no hydrogen 3.271 N/A CYS 114.A SG HIS 110.A O no hydrogen 3.660 N/A CYS 114.A SG TYR 148.A OH no hydrogen 3.345 N/A GLU 115.A N GLN 111.A O no hydrogen 2.772 N/A LYS 116.A NZ ASP 88.A OD2 no hydrogen 2.755 N/A GLN 125.A N ASN 121.A O no hydrogen 2.697 N/A ALA 126.A N ASP 122.A O no hydrogen 3.349 N/A MET 128.A N THR 124.A O no hydrogen 2.887 N/A ALA 129.A N GLN 125.A O no hydrogen 3.168 N/A ALA 132.A N MET 128.A O no hydrogen 3.341 N/A ALA 133.A N ALA 129.A O no hydrogen 3.183 N/A ALA 135.A N MET 131.A O no hydrogen 3.221 N/A ALA 136.A N ALA 132.A O no hydrogen 3.210 N/A TRP 137.A N ALA 133.A O no hydrogen 3.116 N/A GLY 138.A N ALA 134.A O no hydrogen 3.054 N/A LEU 139.A N ALA 135.A O no hydrogen 3.240 N/A GLY 140.A N ALA 136.A O no hydrogen 3.132 N/A GLN 141.A N ALA 136.A O no hydrogen 2.884 N/A MET 145.A N GLN 141.A O no hydrogen 3.143 N/A GLU 146.A N TRP 142.A O no hydrogen 3.280 N/A GLU 147.A N ASP 143.A O no hydrogen 3.224 N/A TYR 148.A N SER 144.A O no hydrogen 3.409 N/A THR 149.A N MET 145.A O no hydrogen 2.633 N/A THR 149.A OG1 MET 145.A O no hydrogen 2.604 N/A CYS 150.A N GLU 146.A O no hydrogen 3.328 N/A CYS 150.A SG GLU 146.A O no hydrogen 3.208 N/A ILE 152.A N THR 149.A O no hydrogen 3.142 N/A THR 156.A N PRO 153.A O no hydrogen 3.316 N/A THR 156.A OG1 PRO 153.A O no hydrogen 3.540 N/A HIS 157.A ND1 ALA 183.A O no hydrogen 3.126 N/A ALA 160.A N THR 156.A O no hydrogen 3.156 N/A PHE 161.A N HIS 157.A O no hydrogen 2.897 N/A TYR 162.A N ASP 158.A O no hydrogen 3.321 N/A ARG 163.A NH1 ILE 152.A O no hydrogen 2.991 N/A ARG 163.A NH1 GLY 159.A O no hydrogen 3.276 N/A ARG 163.A NH2 ILE 152.A O no hydrogen 3.277 N/A ALA 164.A N PHE 161.A O no hydrogen 3.015 N/A VAL 165.A N PHE 161.A O no hydrogen 3.308 N/A LEU 166.A N TYR 162.A O no hydrogen 3.066 N/A ALA 167.A N ARG 163.A O no hydrogen 3.165 N/A LEU 168.A N ALA 164.A O no hydrogen 3.322 N/A HIS 169.A N VAL 165.A O no hydrogen 3.225 N/A GLN 170.A N LEU 166.A O no hydrogen 3.272 N/A LEU 172.A N ALA 167.A O no hydrogen 2.758 N/A ALA 176.A N LEU 172.A O no hydrogen 3.301 N/A GLN 177.A N PHE 173.A O no hydrogen 2.748 N/A GLN 177.A NE2 ASP 181.A OD2 no hydrogen 2.762 N/A GLN 177.A NE2 GLU 216.A OE2 no hydrogen 3.442 N/A GLN 178.A N SER 174.A O no hydrogen 3.280 N/A CYS 179.A N LEU 175.A O no hydrogen 3.356 N/A CYS 179.A SG LEU 175.A O no hydrogen 3.345 N/A ILE 180.A N ALA 176.A O no hydrogen 3.268 N/A ASP 181.A N GLN 177.A O no hydrogen 3.499 N/A LYS 182.A N GLN 178.A O no hydrogen 3.136 N/A ALA 183.A N CYS 179.A O no hydrogen 3.076 N/A ARG 184.A N ILE 180.A O no hydrogen 2.878 N/A ASP 185.A N ASP 181.A O no hydrogen 3.403 N/A LEU 186.A N LYS 182.A O no hydrogen 2.938 N/A ASP 188.A N ARG 184.A O no hydrogen 2.907 N/A ALA 189.A N ASP 185.A O no hydrogen 3.125 N/A LEU 191.A N LEU 187.A O no hydrogen 3.298 N/A THR 192.A OG1 ASP 188.A O no hydrogen 3.185 N/A THR 192.A OG1 ALA 189.A O no hydrogen 3.567 N/A ARG 201.A NH1 GLU 190.A OE2 no hydrogen 3.260 N/A ARG 201.A NH1 GLU 197.A OE1 no hydrogen 3.287 N/A ARG 201.A NH2 GLU 190.A OE2 no hydrogen 2.825 N/A TYR 203.A N TYR 199.A O no hydrogen 2.818 N/A VAL 207.A N TYR 203.A O no hydrogen 3.135 N/A SER 208.A N GLY 204.A O no hydrogen 3.102 N/A SER 208.A OG GLY 204.A O no hydrogen 3.321 N/A CYS 209.A N ALA 205.A O no hydrogen 2.679 N/A CYS 209.A SG MET 206.A O no hydrogen 3.876 N/A HIS 210.A N MET 206.A O no hydrogen 3.361 N/A MET 211.A N VAL 207.A O no hydrogen 2.977 N/A LEU 212.A N SER 208.A O no hydrogen 2.759 N/A SER 213.A N CYS 209.A O no hydrogen 3.025 N/A SER 213.A OG CYS 209.A O no hydrogen 2.747 N/A SER 213.A OG HIS 210.A O no hydrogen 2.828 N/A GLU 214.A N HIS 210.A O no hydrogen 2.787 N/A LEU 215.A N MET 211.A O no hydrogen 2.685 N/A GLU 216.A N LEU 212.A O no hydrogen 3.102 N/A GLU 217.A N GLU 214.A O no hydrogen 3.077 N/A VAL 218.A N GLU 214.A O no hydrogen 2.962 N/A ILE 219.A N LEU 215.A O no hydrogen 3.243 N/A TYR 221.A N GLU 217.A O no hydrogen 3.198 N/A ARG 226.A N ARG 222.A O no hydrogen 3.283 N/A GLN 227.A N GLU 223.A O no hydrogen 3.058 N/A ILE 228.A N ILE 224.A O no hydrogen 3.343 N/A TRP 229.A N ILE 225.A O no hydrogen 3.025 N/A TRP 230.A N ARG 226.A O no hydrogen 2.826 N/A GLU 231.A N GLN 227.A O no hydrogen 2.733 N/A ARG 232.A N ILE 228.A O no hydrogen 2.985 N/A ARG 232.A NH1 GLU 214.A OE2 no hydrogen 2.996 N/A ARG 232.A NH2 GLU 217.A OE1 no hydrogen 3.465 N/A GLY 235.A N GLU 231.A O no hydrogen 3.202 N/A ASP 242.A N ILE 239.A O no hydrogen 2.921 N/A TRP 243.A N ILE 239.A O no hydrogen 3.167 N/A GLN 244.A N VAL 240.A O no hydrogen 3.132 N/A GLN 244.A NE2 LEU 103.A O no hydrogen 2.763 N/A ILE 246.A N ASP 242.A O no hydrogen 3.070 N/A LEU 247.A N TRP 243.A O no hydrogen 3.182 N/A MET 248.A N GLN 244.A O no hydrogen 3.007 N/A VAL 249.A N LYS 245.A O no hydrogen 3.322 N/A ARG 250.A N ILE 246.A O no hydrogen 3.417 N/A ARG 250.A NE GLU 214.A OE1 no hydrogen 2.653 N/A ARG 250.A NH1 TRP 229.A O no hydrogen 2.979 N/A SER 251.A N LEU 247.A O no hydrogen 2.646 N/A SER 251.A OG LEU 247.A O no hydrogen 2.789 N/A VAL 254.A N ARG 250.A O no hydrogen 3.112 N/A SER 255.A OG GLU 258.A OE2 no hydrogen 3.274 N/A ASP 259.A N SER 255.A O no hydrogen 3.433 N/A THR 262.A OG1 ASP 259.A OD1 no hydrogen 3.204 N/A THR 262.A OG1 ASP 259.A OD2 no hydrogen 2.559 N/A LEU 264.A N MET 260.A O no hydrogen 2.931 N/A LYS 265.A N ARG 261.A O no hydrogen 3.184 N/A TYR 266.A N THR 262.A O no hydrogen 2.881 N/A ALA 267.A N TRP 263.A O no hydrogen 2.889 N/A SER 268.A N LEU 264.A O no hydrogen 2.791 N/A LEU 269.A N LYS 265.A O no hydrogen 3.143 N/A CYS 270.A N TYR 266.A O no hydrogen 3.033 N/A CYS 270.A SG TYR 266.A O no hydrogen 3.333 N/A GLY 271.A N ALA 267.A O no hydrogen 3.243 N/A LYS 272.A N SER 268.A O no hydrogen 2.994 N/A SER 273.A N LEU 269.A O no hydrogen 3.022 N/A SER 273.A OG LEU 269.A O no hydrogen 2.877 N/A SER 273.A OG CYS 270.A O no hydrogen 3.101 N/A GLY 274.A N CYS 270.A O no hydrogen 3.041 N/A ARG 275.A N CYS 270.A O no hydrogen 2.818 N/A ALA 279.A N ARG 275.A O no hydrogen 2.906 N/A HIS 280.A N LEU 276.A O no hydrogen 2.707 N/A LYS 281.A N ALA 277.A O no hydrogen 3.429 N/A THR 282.A N LEU 278.A O no hydrogen 3.116 N/A THR 282.A OG1 LEU 278.A O no hydrogen 2.766 N/A LEU 283.A N ALA 279.A O no hydrogen 3.298 N/A VAL 284.A N HIS 280.A O no hydrogen 2.979 N/A LEU 286.A N THR 282.A O no hydrogen 3.398 N/A LEU 287.A N LEU 283.A O no hydrogen 3.017 N/A GLY 288.A N VAL 284.A O no hydrogen 3.048 N/A SER 292.A OG TYR 310.A OH no hydrogen 2.878 N/A VAL 306.A N HIS 303.A O no hydrogen 2.847 N/A THR 307.A N HIS 303.A O no hydrogen 3.239 N/A THR 307.A OG1 PRO 300.A O no hydrogen 2.713 N/A THR 307.A OG1 HIS 303.A O no hydrogen 3.548 N/A TYR 308.A N PRO 304.A O no hydrogen 3.429 N/A TYR 308.A OH ARG 359.A O no hydrogen 3.377 N/A TYR 310.A N VAL 306.A O no hydrogen 3.178 N/A TYR 310.A OH SER 292.A OG no hydrogen 2.878 N/A MET 311.A N THR 307.A O no hydrogen 2.767 N/A LYS 312.A N TYR 308.A O no hydrogen 3.161 N/A ASN 313.A N ALA 309.A O no hydrogen 2.807 N/A MET 314.A N TYR 310.A O no hydrogen 2.862 N/A TRP 315.A N MET 311.A O no hydrogen 3.217 N/A LYS 316.A N LYS 312.A O no hydrogen 3.311 N/A SER 317.A N ASN 313.A O no hydrogen 2.932 N/A SER 317.A OG ASN 313.A O no hydrogen 2.875 N/A PHE 324.A N LYS 320.A O no hydrogen 3.122 N/A GLN 325.A N ILE 321.A O no hydrogen 3.064 N/A HIS 326.A N ASP 322.A O no hydrogen 2.956 N/A MET 327.A N ALA 323.A O no hydrogen 3.086 N/A GLN 328.A N PHE 324.A O no hydrogen 3.331 N/A GLN 328.A NE2 PHE 324.A O no hydrogen 3.534 N/A HIS 329.A N GLN 325.A O no hydrogen 3.438 N/A PHE 330.A N HIS 326.A O no hydrogen 2.979 N/A VAL 331.A N MET 327.A O no hydrogen 3.003 N/A GLN 332.A N GLN 328.A O no hydrogen 3.369 N/A THR 333.A N HIS 329.A O no hydrogen 3.096 N/A THR 333.A OG1 HIS 329.A O no hydrogen 2.945 N/A MET 334.A N PHE 330.A O no hydrogen 2.960 N/A GLN 335.A N VAL 331.A O no hydrogen 3.007 N/A GLN 336.A N GLN 332.A O no hydrogen 3.359 N/A GLN 337.A N THR 333.A O no hydrogen 2.876 N/A ALA 338.A N MET 334.A O no hydrogen 2.830 N/A GLN 339.A N GLN 335.A O no hydrogen 3.054 N/A ILE 342.A N ALA 338.A O no hydrogen 2.948 N/A ALA 343.A N ALA 341.A O no hydrogen 3.052 N/A ASP 346.A N ALA 343.A O no hydrogen 2.848 N/A GLN 351.A N GLN 347.A O no hydrogen 3.235 N/A GLU 352.A N GLN 348.A O no hydrogen 3.161 N/A LEU 353.A N HIS 349.A O no hydrogen 3.009 N/A HIS 354.A N LYS 350.A O no hydrogen 2.756 N/A LYS 355.A N GLN 351.A O no hydrogen 3.058 N/A LEU 356.A N GLU 352.A O no hydrogen 3.054 N/A MET 357.A N LEU 353.A O no hydrogen 3.240 N/A ALA 358.A N HIS 354.A O no hydrogen 3.133 N/A ARG 359.A N LYS 355.A O no hydrogen 3.457 N/A ARG 359.A NH1 GLN 305.A OE1 no hydrogen 3.186 N/A CYS 360.A N LEU 356.A O no hydrogen 3.001 N/A CYS 360.A SG LEU 356.A O no hydrogen 3.240 N/A PHE 361.A N MET 357.A O no hydrogen 2.690 N/A LEU 362.A N ALA 358.A O no hydrogen 2.978 N/A LYS 363.A N ARG 359.A O no hydrogen 3.311 N/A LEU 364.A N CYS 360.A O no hydrogen 2.963 N/A GLY 365.A N PHE 361.A O no hydrogen 3.383 N/A GLU 366.A N LEU 362.A O no hydrogen 3.039 N/A TRP 367.A N LYS 363.A O no hydrogen 2.759 N/A GLN 368.A N LEU 364.A O no hydrogen 2.890 N/A LEU 369.A N GLY 365.A O no hydrogen 3.234 N/A ASN 370.A N GLU 366.A O no hydrogen 3.155 N/A LEU 371.A N TRP 367.A O no hydrogen 2.967 N/A GLN 372.A N GLN 368.A O no hydrogen 3.031 N/A ASN 375.A N THR 378.A OG1 no hydrogen 2.885 N/A SER 377.A N ASN 375.A OD1 no hydrogen 3.122 N/A SER 377.A OG ASN 375.A OD1 no hydrogen 2.710 N/A THR 378.A N ASN 375.A OD1 no hydrogen 3.076 N/A THR 378.A OG1 GLY 373.A O no hydrogen 2.717 N/A THR 378.A OG1 ASN 375.A O no hydrogen 3.165 N/A ILE 379.A N ASN 375.A O no hydrogen 3.124 N/A VAL 382.A N THR 378.A O no hydrogen 2.990 N/A LEU 383.A N ILE 379.A O no hydrogen 3.081 N/A GLN 384.A N PRO 380.A O no hydrogen 2.919 N/A TYR 385.A N LYS 381.A O no hydrogen 2.870 N/A TYR 386.A N VAL 382.A O no hydrogen 2.732 N/A SER 387.A N LEU 383.A O no hydrogen 2.724 N/A SER 387.A OG LEU 383.A O no hydrogen 3.242 N/A SER 387.A OG GLN 384.A O no hydrogen 3.100 N/A ALA 388.A N GLN 384.A O no hydrogen 3.270 N/A ALA 389.A N TYR 385.A O no hydrogen 3.156 N/A THR 390.A N TYR 386.A O no hydrogen 3.033 N/A GLU 391.A N SER 387.A O no hydrogen 2.896 N/A HIS 392.A N ALA 388.A O no hydrogen 2.964 N/A ASP 393.A N ALA 389.A O no hydrogen 3.098 N/A ARG 394.A NH2 GLU 391.A OE1 no hydrogen 2.929 N/A TYR 397.A OH ASP 460.A OD2 no hydrogen 3.061 N/A TRP 400.A NE1 ARG 394.A O no hydrogen 2.723 N/A HIS 401.A N TYR 397.A O no hydrogen 2.916 N/A HIS 401.A ND1 ASP 460.A OD1 no hydrogen 2.624 N/A ALA 402.A N LYS 398.A O no hydrogen 2.818 N/A TRP 403.A N ALA 399.A O no hydrogen 3.106 N/A ALA 404.A N TRP 400.A O no hydrogen 2.996 N/A VAL 405.A N HIS 401.A O no hydrogen 2.810 N/A MET 406.A N ALA 402.A O no hydrogen 3.040 N/A ASN 407.A N TRP 403.A O no hydrogen 3.088 N/A ASN 407.A ND2 TRP 403.A O no hydrogen 2.876 N/A PHE 408.A N ALA 404.A O no hydrogen 2.769 N/A GLU 409.A N VAL 405.A O no hydrogen 2.797 N/A ALA 410.A N MET 406.A O no hydrogen 2.739 N/A VAL 411.A N ASN 407.A O no hydrogen 3.133 N/A LEU 412.A N PHE 408.A O no hydrogen 3.246 N/A HIS 413.A N GLU 409.A O no hydrogen 3.024 N/A TYR 414.A N ALA 410.A O no hydrogen 3.309 N/A TYR 414.A OH GLU 376.A OE1 no hydrogen 2.688 N/A LYS 415.A N VAL 411.A O no hydrogen 3.036 N/A LYS 415.A NZ TYR 471.A OH no hydrogen 3.130 N/A HIS 416.A N LEU 412.A O no hydrogen 2.762 N/A HIS 416.A ND1 GLN 419.A OE1 no hydrogen 3.321 N/A GLN 417.A N HIS 413.A O no hydrogen 2.985 N/A ASN 418.A N TYR 414.A O no hydrogen 2.955 N/A GLN 419.A N LYS 415.A O no hydrogen 2.996 N/A ARG 421.A N GLN 417.A O no hydrogen 2.824 N/A ASP 422.A N ASN 418.A O no hydrogen 2.941 N/A GLU 423.A N GLN 419.A O no hydrogen 3.328 N/A ASP 430.A N LYS 426.A O no hydrogen 3.153 N/A LEU 431.A N VAL 427.A O no hydrogen 2.963 N/A SER 432.A N THR 428.A O no hydrogen 2.861 N/A SER 432.A OG THR 428.A O no hydrogen 2.970 N/A LYS 433.A N GLU 429.A O no hydrogen 3.263 N/A THR 434.A N ASP 430.A O no hydrogen 2.735 N/A THR 434.A OG1 ASP 430.A O no hydrogen 2.613 N/A LEU 435.A N LEU 431.A O no hydrogen 2.715 N/A LEU 436.A N SER 432.A O no hydrogen 2.888 N/A MET 437.A N LYS 433.A O no hydrogen 3.210 N/A THR 439.A N LEU 435.A O no hydrogen 2.812 N/A THR 439.A OG1 LEU 435.A O no hydrogen 2.586 N/A VAL 440.A N LEU 436.A O no hydrogen 3.508 N/A ALA 442.A N TYR 438.A O no hydrogen 3.216 N/A VAL 443.A N THR 439.A O no hydrogen 2.983 N/A GLN 444.A N VAL 440.A O no hydrogen 3.074 N/A GLY 445.A N PRO 441.A O no hydrogen 2.795 N/A PHE 446.A N ALA 442.A O no hydrogen 3.035 N/A PHE 447.A N VAL 443.A O no hydrogen 3.159 N/A ARG 448.A N GLN 444.A O no hydrogen 3.084 N/A SER 449.A N GLY 445.A O no hydrogen 2.912 N/A SER 449.A OG PHE 446.A O no hydrogen 2.954 N/A ILE 450.A N PHE 446.A O no hydrogen 2.748 N/A SER 451.A N PHE 447.A O no hydrogen 3.222 N/A SER 451.A OG PHE 447.A O no hydrogen 3.402 N/A SER 451.A OG ARG 448.A O no hydrogen 2.919 N/A LEU 452.A N ARG 448.A O no hydrogen 3.235 N/A SER 453.A N ILE 450.A O no hydrogen 3.067 N/A SER 453.A OG SER 449.A O no hydrogen 2.572 N/A SER 453.A OG ILE 450.A O no hydrogen 3.533 N/A ARG 454.A N ILE 450.A O no hydrogen 3.327 N/A ARG 454.A N ASN 457.A OD1 no hydrogen 3.183 N/A THR 461.A N ASN 457.A O no hydrogen 3.073 N/A THR 461.A OG1 ASN 457.A O no hydrogen 2.696 N/A THR 461.A OG1 GLN 495.A OE1 no hydrogen 3.564 N/A LEU 462.A N LEU 458.A O no hydrogen 3.034 N/A ARG 463.A N GLN 459.A O no hydrogen 2.867 N/A ARG 463.A NH1 GLU 977.A OE1 no hydrogen 3.007 N/A VAL 464.A N ASP 460.A O no hydrogen 2.976 N/A LEU 465.A N THR 461.A O no hydrogen 3.225 N/A THR 466.A N LEU 462.A O no hydrogen 3.157 N/A THR 466.A OG1 LEU 462.A O no hydrogen 3.137 N/A LEU 467.A N ARG 463.A O no hydrogen 3.275 N/A TRP 468.A N VAL 464.A O no hydrogen 2.932 N/A PHE 469.A N LEU 465.A O no hydrogen 2.775 N/A ASP 470.A N THR 466.A O no hydrogen 2.886 N/A TYR 471.A N LEU 467.A O no hydrogen 2.747 N/A GLY 472.A N TRP 468.A O no hydrogen 2.748 N/A TRP 474.A N TYR 471.A O no hydrogen 3.158 N/A ASN 478.A N TRP 474.A O no hydrogen 2.877 N/A GLU 479.A N PRO 475.A O no hydrogen 2.939 N/A ALA 480.A N ASP 476.A O no hydrogen 3.415 N/A LEU 481.A N VAL 477.A O no hydrogen 3.051 N/A VAL 482.A N ASN 478.A O no hydrogen 2.837 N/A GLU 483.A N GLU 479.A O no hydrogen 3.041 N/A GLY 484.A N ALA 480.A O no hydrogen 2.919 N/A VAL 485.A N LEU 481.A O no hydrogen 2.911 N/A LYS 486.A N VAL 482.A O no hydrogen 3.101 N/A ALA 487.A N GLU 483.A O no hydrogen 3.323 N/A ILE 488.A N GLY 484.A O no hydrogen 2.997 N/A THR 492.A OG1 GLN 489.A O no hydrogen 2.819 N/A TRP 493.A N ILE 490.A O no hydrogen 3.340 N/A LEU 494.A N ASP 491.A O no hydrogen 3.043 N/A VAL 496.A N TRP 493.A O no hydrogen 3.103 N/A ILE 497.A N LEU 494.A O no hydrogen 3.143 N/A LEU 500.A N VAL 496.A O no hydrogen 3.303 N/A ILE 501.A N ILE 497.A O no hydrogen 2.951 N/A ALA 502.A N PRO 498.A O no hydrogen 3.042 N/A ARG 503.A N LEU 500.A O no hydrogen 3.037 N/A ILE 504.A N ILE 501.A O no hydrogen 3.079 N/A THR 506.A OG1 ARG 503.A O no hydrogen 2.617 N/A GLY 512.A N ARG 508.A O no hydrogen 3.154 N/A ARG 513.A N PRO 509.A O no hydrogen 3.042 N/A ILE 515.A N VAL 511.A O no hydrogen 3.230 N/A HIS 516.A N GLY 512.A O no hydrogen 2.997 N/A HIS 516.A NE2 ILE 504.A O no hydrogen 3.090 N/A GLN 517.A N ARG 513.A O no hydrogen 3.098 N/A LEU 518.A N LEU 514.A O no hydrogen 2.838 N/A LEU 519.A N ILE 515.A O no hydrogen 2.952 N/A THR 520.A N HIS 516.A O no hydrogen 2.940 N/A THR 520.A OG1 HIS 516.A O no hydrogen 2.531 N/A ASP 521.A N GLN 517.A O no hydrogen 3.082 N/A ILE 522.A N LEU 518.A O no hydrogen 2.800 N/A GLY 523.A N LEU 519.A O no hydrogen 2.813 N/A ARG 524.A N THR 520.A O no hydrogen 3.117 N/A TYR 525.A N ASP 521.A O no hydrogen 3.327 N/A HIS 526.A ND1 TYR 702.A OH no hydrogen 3.063 N/A GLN 528.A NE2 GLU 695.A O no hydrogen 2.766 N/A LEU 530.A N PRO 527.A O no hydrogen 3.013 N/A ILE 531.A N PRO 527.A O no hydrogen 3.229 N/A TYR 532.A OH ALA 697.A O no hydrogen 2.832 N/A LEU 534.A N LEU 530.A O no hydrogen 3.055 N/A THR 535.A N ILE 531.A O no hydrogen 2.951 N/A THR 535.A OG1 ILE 531.A O no hydrogen 2.511 N/A VAL 536.A N TYR 532.A O no hydrogen 3.164 N/A ALA 537.A N PRO 533.A O no hydrogen 3.386 N/A SER 538.A N LEU 534.A O no hydrogen 2.923 N/A SER 538.A OG THR 535.A O no hydrogen 2.662 N/A LYS 539.A N VAL 536.A O no hydrogen 3.157 N/A LYS 539.A NZ SER 571.A OG no hydrogen 3.278 N/A ARG 545.A N THR 542.A O no hydrogen 3.332 N/A ARG 545.A NH1 ILE 501.A O no hydrogen 3.396 N/A ARG 545.A NH1 ALA 502.A O no hydrogen 3.320 N/A ARG 545.A NH2 ILE 501.A O no hydrogen 2.689 N/A ASN 547.A N THR 543.A O no hydrogen 3.351 N/A ASN 547.A ND2 THR 543.A OG1 no hydrogen 3.425 N/A ALA 548.A N ALA 544.A O no hydrogen 3.375 N/A ALA 549.A N ARG 545.A O no hydrogen 2.807 N/A ASN 550.A N HIS 546.A O no hydrogen 3.068 N/A LYS 551.A N ASN 547.A O no hydrogen 3.056 N/A ILE 552.A N ALA 548.A O no hydrogen 3.281 N/A LEU 553.A N ALA 549.A O no hydrogen 3.053 N/A LYS 554.A N ASN 550.A O no hydrogen 2.738 N/A ASN 555.A N LYS 551.A O no hydrogen 3.081 N/A ASN 555.A ND2 LYS 551.A O no hydrogen 3.137 N/A MET 556.A N ILE 552.A O no hydrogen 2.892 N/A CYS 557.A N LEU 553.A O no hydrogen 3.193 N/A CYS 557.A N LYS 554.A O no hydrogen 3.011 N/A CYS 557.A SG LEU 553.A O no hydrogen 3.396 N/A CYS 557.A SG ASN 561.A OD1 no hydrogen 3.383 N/A HIS 559.A N MET 556.A O no hydrogen 3.235 N/A HIS 559.A NE2 GLY 523.A O no hydrogen 2.837 N/A SER 560.A N MET 556.A O no hydrogen 2.708 N/A THR 562.A OG1 GLU 695.A OE1 no hydrogen 3.044 N/A VAL 564.A N SER 560.A O no hydrogen 3.150 N/A GLN 565.A N ASN 561.A O no hydrogen 3.054 N/A GLN 566.A N THR 562.A O no hydrogen 3.204 N/A ALA 567.A N LEU 563.A O no hydrogen 2.921 N/A MET 568.A N VAL 564.A O no hydrogen 2.840 N/A MET 569.A N GLN 565.A O no hydrogen 3.161 N/A VAL 570.A N GLN 566.A O no hydrogen 3.084 N/A SER 571.A N ALA 567.A O no hydrogen 3.429 N/A SER 571.A OG ALA 567.A O no hydrogen 2.720 N/A SER 571.A OG MET 568.A O no hydrogen 3.346 N/A GLU 572.A N MET 568.A O no hydrogen 3.220 N/A GLU 573.A N MET 569.A O no hydrogen 2.937 N/A LEU 574.A N VAL 570.A O no hydrogen 2.915 N/A ILE 575.A N SER 571.A O no hydrogen 3.159 N/A ARG 576.A N GLU 572.A O no hydrogen 3.197 N/A ARG 576.A NE GLU 573.A OE1 no hydrogen 3.367 N/A ARG 576.A NE GLU 573.A OE2 no hydrogen 3.120 N/A ARG 576.A NH1 GLU 625.A OE2 no hydrogen 2.741 N/A ARG 576.A NH2 GLU 573.A OE1 no hydrogen 2.684 N/A VAL 577.A N GLU 573.A O no hydrogen 2.833 N/A ALA 578.A N LEU 574.A O no hydrogen 2.831 N/A ILE 579.A N ILE 575.A O no hydrogen 3.488 N/A LEU 580.A N GLU 583.A OE1 no hydrogen 3.195 N/A MET 584.A N LEU 580.A O no hydrogen 3.129 N/A TRP 585.A N TRP 581.A O no hydrogen 3.140 N/A HIS 586.A N HIS 582.A O no hydrogen 2.885 N/A GLU 587.A N GLU 583.A O no hydrogen 3.343 N/A GLY 588.A N MET 584.A O no hydrogen 2.912 N/A LEU 589.A N TRP 585.A O no hydrogen 3.004 N/A GLU 590.A N HIS 586.A O no hydrogen 3.075 N/A GLU 591.A N GLU 587.A O no hydrogen 3.040 N/A ALA 592.A N GLY 588.A O no hydrogen 2.975 N/A SER 593.A N LEU 589.A O no hydrogen 3.288 N/A SER 593.A OG LEU 589.A O no hydrogen 2.995 N/A SER 593.A OG GLU 590.A O no hydrogen 2.930 N/A LEU 595.A N GLU 591.A O no hydrogen 3.214 N/A TYR 596.A N ALA 592.A O no hydrogen 3.155 N/A PHE 597.A N SER 593.A O no hydrogen 3.007 N/A GLY 598.A N SER 593.A O no hydrogen 3.281 N/A ARG 600.A N TYR 596.A O no hydrogen 3.192 N/A GLY 604.A N ASN 601.A OD1 no hydrogen 2.988 N/A MET 605.A N ASN 601.A O no hydrogen 3.298 N/A PHE 606.A N VAL 602.A O no hydrogen 2.966 N/A VAL 608.A N MET 605.A O no hydrogen 3.176 N/A LEU 609.A N MET 605.A O no hydrogen 3.274 N/A GLU 610.A N PHE 606.A O no hydrogen 2.968 N/A HIS 613.A N LEU 609.A O no hydrogen 3.023 N/A HIS 613.A NE2 TYR 662.A OH no hydrogen 2.893 N/A ALA 614.A N GLU 610.A O no hydrogen 3.136 N/A MET 615.A N PRO 611.A O no hydrogen 2.802 N/A GLU 617.A N HIS 613.A O no hydrogen 3.007 N/A GLN 621.A N GLU 625.A OE1 no hydrogen 3.123 N/A GLN 621.A NE2 GLY 619.A O no hydrogen 3.431 N/A THR 622.A OG1 VAL 684.A O no hydrogen 3.470 N/A LYS 624.A N TYR 683.A O no hydrogen 2.829 N/A THR 626.A N THR 622.A O no hydrogen 2.987 N/A THR 626.A OG1 THR 622.A O no hydrogen 2.748 N/A SER 627.A N LEU 623.A O no hydrogen 2.958 N/A SER 627.A OG LEU 623.A O no hydrogen 3.383 N/A SER 627.A OG LYS 624.A O no hydrogen 3.085 N/A PHE 628.A N LYS 624.A O no hydrogen 3.217 N/A ASN 629.A N GLU 625.A O no hydrogen 3.066 N/A GLN 630.A N THR 626.A O no hydrogen 2.670 N/A TYR 632.A N PHE 628.A O no hydrogen 2.773 N/A TYR 632.A OH GLN 672.A OE1 no hydrogen 2.914 N/A GLY 633.A N PHE 628.A O no hydrogen 3.439 N/A ASP 635.A N TYR 632.A O no hydrogen 2.847 N/A LEU 636.A N TYR 632.A O no hydrogen 3.309 N/A MET 637.A N GLY 633.A O no hydrogen 3.274 N/A GLU 638.A N ARG 634.A O no hydrogen 3.484 N/A ALA 639.A N ASP 635.A O no hydrogen 2.821 N/A GLN 640.A N LEU 636.A O no hydrogen 3.013 N/A GLU 641.A N MET 637.A O no hydrogen 3.180 N/A TRP 642.A N GLU 638.A O no hydrogen 3.162 N/A CYS 643.A N ALA 639.A O no hydrogen 3.279 N/A CYS 643.A SG ALA 639.A O no hydrogen 3.648 N/A CYS 643.A SG TYR 662.A OH no hydrogen 3.839 N/A ARG 644.A N GLN 640.A O no hydrogen 2.877 N/A LYS 645.A N GLU 641.A O no hydrogen 2.957 N/A TYR 646.A N TRP 642.A O no hydrogen 3.392 N/A SER 649.A N LYS 645.A O no hydrogen 3.042 N/A SER 649.A OG LYS 645.A O no hydrogen 2.678 N/A SER 649.A OG ASP 654.A OD2 no hydrogen 2.740 N/A ASN 651.A ND2 ASP 654.A OD2 no hydrogen 2.985 N/A LEU 655.A N ASN 651.A O no hydrogen 3.343 N/A THR 656.A N VAL 652.A O no hydrogen 2.801 N/A TRP 659.A N LEU 655.A O no hydrogen 3.411 N/A ASP 660.A N THR 656.A O no hydrogen 3.102 N/A LEU 661.A N GLN 657.A O no hydrogen 3.425 N/A TYR 662.A N ALA 658.A O no hydrogen 2.900 N/A TYR 662.A OH HIS 613.A NE2 no hydrogen 2.893 N/A TYR 663.A N TRP 659.A O no hydrogen 3.078 N/A PHE 666.A N TYR 662.A O no hydrogen 3.102 N/A ARG 667.A N TYR 663.A O no hydrogen 3.457 N/A ILE 669.A N VAL 665.A O no hydrogen 2.946 N/A SER 670.A N PHE 666.A O no hydrogen 2.860 N/A SER 670.A OG PHE 666.A O no hydrogen 2.565 N/A LYS 671.A N ARG 667.A O no hydrogen 3.177 N/A GLN 672.A N ARG 668.A O no hydrogen 3.408 N/A LEU 676.A N LEU 673.A O no hydrogen 3.248 N/A THR 677.A N GLN 675.A O no hydrogen 3.068 N/A LEU 679.A N LEU 718.A O no hydrogen 2.843 N/A LEU 681.A N PRO 716.A O no hydrogen 2.662 N/A TYR 683.A N GLU 680.A O no hydrogen 3.122 N/A VAL 684.A N GLU 680.A O no hydrogen 3.185 N/A SER 685.A N LEU 681.A O no hydrogen 2.972 N/A SER 685.A OG GLU 573.A OE2 no hydrogen 2.647 N/A LEU 688.A N SER 685.A O no hydrogen 3.300 N/A MET 690.A N PRO 686.A O no hydrogen 2.944 N/A CYS 691.A N LYS 687.A O no hydrogen 3.304 N/A CYS 691.A SG LYS 687.A O no hydrogen 3.254 N/A ASP 693.A N GLN 712.A O no hydrogen 2.753 N/A LEU 694.A N ILE 711.A O no hydrogen 3.015 N/A GLU 695.A N GLN 566.A OE1 no hydrogen 2.970 N/A LEU 696.A N GLN 566.A OE1 no hydrogen 3.262 N/A ALA 697.A N GLN 528.A OE1 no hydrogen 3.071 N/A VAL 698.A N ILE 709.A O no hydrogen 2.966 N/A THR 701.A N VAL 698.A O no hydrogen 3.020 N/A THR 701.A OG1 VAL 698.A O no hydrogen 2.583 N/A THR 701.A OG1 ILE 709.A O no hydrogen 3.509 N/A TYR 702.A OH HIS 526.A ND1 no hydrogen 3.063 N/A ASN 705.A N ASP 703.A OD1 no hydrogen 3.394 N/A ASN 705.A ND2 ASP 703.A OD1 no hydrogen 3.034 N/A GLN 706.A N ASP 703.A OD2 no hydrogen 3.238 N/A ARG 710.A N SER 735.A OG no hydrogen 3.122 N/A ARG 710.A NH2 GLU 695.A O no hydrogen 3.508 N/A ILE 711.A N LEU 696.A O no hydrogen 2.913 N/A GLN 712.A N MET 733.A O no hydrogen 2.902 N/A SER 713.A N MET 733.A O no hydrogen 3.297 N/A ALA 715.A N THR 731.A O no hydrogen 3.146 N/A LEU 718.A N LEU 679.A O no hydrogen 2.802 N/A ILE 721.A N PRO 727.A O no hydrogen 2.993 N/A SER 723.A N ILE 721.A O no hydrogen 3.057 N/A LYS 724.A NZ GLU 590.A OE2 no hydrogen 3.430 N/A ARG 728.A N LEU 744.A O no hydrogen 2.955 N/A ARG 728.A NE VAL 577.A O no hydrogen 2.816 N/A ARG 728.A NH1 GLU 583.A OE2 no hydrogen 3.372 N/A ARG 728.A NH2 VAL 577.A O no hydrogen 3.157 N/A ARG 728.A NH2 GLU 583.A OE2 no hydrogen 3.336 N/A LYS 729.A N GLN 719.A O no hydrogen 2.707 N/A LEU 732.A N PHE 740.A O no hydrogen 2.791 N/A MET 733.A N SER 713.A O no hydrogen 2.819 N/A GLY 734.A N HIS 738.A O no hydrogen 3.020 N/A SER 735.A N ARG 710.A O no hydrogen 2.865 N/A ASN 736.A ND2 HIS 738.A O no hydrogen 3.558 N/A GLY 737.A N GLY 734.A O no hydrogen 3.215 N/A PHE 740.A N LEU 732.A O no hydrogen 2.725 N/A PHE 742.A N LEU 730.A O no hydrogen 2.705 N/A LEU 743.A N ILE 795.A O no hydrogen 2.694 N/A LEU 744.A N ARG 728.A O no hydrogen 2.808 N/A LYS 745.A N GLY 793.A O no hydrogen 2.964 N/A LYS 745.A NZ GLU 748.A OE1 no hydrogen 3.333 N/A GLU 748.A N ASN 791.A O no hydrogen 2.653 N/A ARG 751.A NE ASP 749.A OD1 no hydrogen 2.698 N/A ARG 751.A NH2 ASP 749.A OD1 no hydrogen 3.165 N/A GLU 754.A N LEU 750.A O no hydrogen 2.971 N/A ARG 755.A N ARG 751.A O no hydrogen 3.339 N/A VAL 756.A N GLN 752.A O no hydrogen 3.116 N/A MET 757.A N ASP 753.A O no hydrogen 3.181 N/A GLN 758.A N GLU 754.A O no hydrogen 3.140 N/A LEU 759.A N ARG 755.A O no hydrogen 3.059 N/A PHE 760.A N VAL 756.A O no hydrogen 2.955 N/A GLY 761.A N MET 757.A O no hydrogen 3.006 N/A LEU 762.A N GLN 758.A O no hydrogen 3.303 N/A VAL 763.A N LEU 759.A O no hydrogen 3.039 N/A ASN 764.A N PHE 760.A O no hydrogen 2.878 N/A ASN 764.A ND2 ILE 780.A O no hydrogen 3.272 N/A THR 765.A N GLY 761.A O no hydrogen 3.125 N/A THR 765.A OG1 GLY 761.A O no hydrogen 2.880 N/A LEU 766.A N LEU 762.A O no hydrogen 2.928 N/A LEU 767.A N VAL 763.A O no hydrogen 2.848 N/A ALA 768.A N ASN 764.A O no hydrogen 2.852 N/A ASN 769.A N THR 765.A O no hydrogen 2.976 N/A ASP 770.A N LEU 766.A O no hydrogen 3.013 N/A SER 773.A OG ASP 770.A OD2 no hydrogen 2.962 N/A LEU 774.A N ASP 770.A O no hydrogen 2.947 N/A ARG 775.A N PRO 771.A O no hydrogen 2.711 N/A LYS 776.A N THR 772.A O no hydrogen 3.271 N/A LYS 776.A NZ GLU 43.A OE2 no hydrogen 3.563 N/A LYS 776.A NZ THR 960.A OG1 no hydrogen 3.273 N/A ASN 777.A N LEU 774.A O no hydrogen 3.148 N/A LEU 778.A N SER 773.A O no hydrogen 3.020 N/A ILE 780.A N ASN 764.A OD1 no hydrogen 2.693 N/A ARG 782.A NE MET 757.A O no hydrogen 3.366 N/A ARG 782.A NH2 MET 757.A O no hydrogen 2.776 N/A ILE 786.A N LEU 794.A O no hydrogen 2.972 N/A LEU 788.A N SER 792.A O no hydrogen 3.371 N/A SER 789.A N SER 792.A O no hydrogen 3.356 N/A SER 789.A OG SER 792.A OG no hydrogen 2.789 N/A ASN 791.A ND2 HIS 747.A ND1 no hydrogen 3.525 N/A SER 792.A N SER 789.A OG no hydrogen 2.968 N/A SER 792.A OG SER 789.A OG no hydrogen 2.789 N/A GLY 793.A N LYS 745.A O no hydrogen 3.234 N/A LEU 794.A N ILE 786.A O no hydrogen 2.814 N/A ILE 795.A N LEU 743.A O no hydrogen 3.031 N/A GLY 796.A N ALA 784.A O no hydrogen 2.790 N/A TRP 797.A N VAL 741.A O no hydrogen 3.308 N/A CYS 801.A SG PRO 799.A O no hydrogen 3.842 N/A ASP 802.A N LEU 904.A O no hydrogen 3.423 N/A LEU 804.A N LEU 902.A O no hydrogen 3.265 N/A HIS 805.A N PRO 899.A O no hydrogen 3.171 N/A ALA 806.A N THR 803.A OG1 no hydrogen 3.024 N/A LEU 807.A N THR 803.A O no hydrogen 3.009 N/A ILE 808.A N LEU 804.A O no hydrogen 3.044 N/A ARG 809.A N HIS 805.A O no hydrogen 2.732 N/A ASP 810.A N ALA 806.A O no hydrogen 2.979 N/A TYR 811.A N LEU 807.A O no hydrogen 3.029 N/A ARG 812.A N ILE 808.A O no hydrogen 2.895 N/A ARG 812.A NE LEU 819.A O no hydrogen 3.378 N/A ARG 812.A NH1 ASP 856.A OD2 no hydrogen 2.714 N/A ARG 812.A NH2 LEU 819.A O no hydrogen 3.476 N/A ARG 812.A NH2 GLU 822.A OE2 no hydrogen 2.841 N/A GLU 813.A N ARG 809.A O no hydrogen 3.124 N/A LYS 814.A N ASP 810.A O no hydrogen 2.933 N/A LYS 815.A N TYR 811.A O no hydrogen 2.879 N/A LYS 816.A N GLU 813.A O no hydrogen 3.422 N/A ILE 817.A N ARG 812.A O no hydrogen 2.690 N/A GLU 822.A N GLU 822.A OE1 no hydrogen 2.845 N/A ARG 824.A N ASN 820.A O no hydrogen 3.270 N/A ILE 825.A N ILE 821.A O no hydrogen 2.904 N/A MET 826.A N GLU 822.A O no hydrogen 2.897 N/A LEU 827.A N HIS 823.A O no hydrogen 3.160 N/A ARG 828.A N ARG 824.A O no hydrogen 3.052 N/A MET 829.A N ILE 825.A O no hydrogen 3.011 N/A ALA 830.A N MET 826.A O no hydrogen 2.759 N/A TYR 833.A OH CYS 1042.A O no hydrogen 2.679 N/A HIS 835.A N ASP 832.A O no hydrogen 3.049 N/A LEU 836.A N TYR 833.A O no hydrogen 3.282 N/A THR 837.A N GLN 840.A OE1 no hydrogen 2.861 N/A GLN 840.A N THR 837.A OG1 no hydrogen 3.351 N/A LYS 841.A N THR 837.A O no hydrogen 2.789 N/A LYS 841.A NZ ASP 834.A O no hydrogen 2.991 N/A VAL 842.A N LEU 838.A O no hydrogen 3.015 N/A PHE 845.A N LYS 841.A O no hydrogen 2.912 N/A GLU 846.A N VAL 842.A O no hydrogen 2.742 N/A HIS 847.A N GLU 843.A O no hydrogen 2.738 N/A ALA 848.A N VAL 844.A O no hydrogen 3.119 N/A VAL 849.A N PHE 845.A O no hydrogen 2.956 N/A ASN 850.A N GLU 846.A O no hydrogen 2.847 N/A ASN 851.A N ALA 848.A O no hydrogen 3.298 N/A ASN 851.A ND2 HIS 847.A O no hydrogen 2.602 N/A THR 852.A N VAL 849.A O no hydrogen 3.329 N/A THR 852.A OG1 ALA 848.A O no hydrogen 2.700 N/A THR 852.A OG1 VAL 849.A O no hydrogen 3.344 N/A LYS 859.A N ASP 855.A O no hydrogen 2.876 N/A LEU 860.A N ASP 856.A O no hydrogen 2.865 N/A LEU 861.A N LEU 857.A O no hydrogen 3.156 N/A TRP 862.A N ALA 858.A O no hydrogen 3.241 N/A LEU 863.A N LYS 859.A O no hydrogen 3.261 N/A LYS 864.A N LEU 860.A O no hydrogen 3.003 N/A SER 865.A N TRP 862.A O no hydrogen 3.434 N/A SER 865.A OG TRP 862.A O no hydrogen 2.693 N/A SER 867.A OG GLU 869.A OE2 no hydrogen 2.903 N/A SER 868.A OG ARG 7.A O no hydrogen 2.840 N/A GLU 869.A N GLU 869.A OE1 no hydrogen 3.249 N/A TRP 871.A N SER 867.A O no hydrogen 3.018 N/A PHE 872.A N SER 868.A O no hydrogen 3.024 N/A ASP 873.A N GLU 869.A O no hydrogen 3.211 N/A ARG 874.A N VAL 870.A O no hydrogen 3.165 N/A ARG 874.A NE LEU 907.A O no hydrogen 2.763 N/A ARG 875.A N TRP 871.A O no hydrogen 3.093 N/A ARG 875.A NH1 GLU 17.A OE1 no hydrogen 2.624 N/A ARG 875.A NH2 GLU 17.A OE1 no hydrogen 3.389 N/A ARG 875.A NH2 GLU 17.A OE2 no hydrogen 3.175 N/A THR 876.A N PHE 872.A O no hydrogen 2.938 N/A THR 876.A OG1 PHE 872.A O no hydrogen 2.764 N/A ASN 877.A N ASP 873.A O no hydrogen 2.890 N/A TYR 878.A N ARG 874.A O no hydrogen 2.858 N/A TYR 878.A OH LEU 941.A O no hydrogen 2.931 N/A THR 879.A N ARG 875.A O no hydrogen 2.948 N/A THR 879.A OG1 ARG 875.A O no hydrogen 3.059 N/A ARG 880.A N THR 876.A O no hydrogen 3.150 N/A ARG 880.A NH1 LYS 776.A O no hydrogen 3.547 N/A ARG 880.A NH2 ASN 953.A OD1 no hydrogen 3.453 N/A SER 881.A N ASN 877.A O no hydrogen 2.933 N/A SER 881.A OG ASN 877.A O no hydrogen 3.036 N/A SER 881.A OG TYR 878.A O no hydrogen 3.161 N/A LEU 882.A N TYR 878.A O no hydrogen 3.022 N/A ALA 883.A N THR 879.A O no hydrogen 3.218 N/A VAL 884.A N ARG 880.A O no hydrogen 2.921 N/A MET 885.A N SER 881.A O no hydrogen 3.335 N/A SER 886.A N LEU 882.A O no hydrogen 2.937 N/A SER 886.A OG LEU 882.A O no hydrogen 2.709 N/A SER 886.A OG TYR 954.A OH no hydrogen 2.825 N/A MET 887.A N ALA 883.A O no hydrogen 3.196 N/A VAL 888.A N VAL 884.A O no hydrogen 2.983 N/A GLY 889.A N MET 885.A O no hydrogen 2.980 N/A TYR 890.A N SER 886.A O no hydrogen 3.131 N/A TYR 890.A OH ASP 1015.A OD2 no hydrogen 2.621 N/A ILE 891.A N MET 887.A O no hydrogen 3.326 N/A LEU 892.A N VAL 888.A O no hydrogen 3.140 N/A GLY 893.A N GLY 889.A O no hydrogen 2.686 N/A LEU 894.A N GLY 889.A O no hydrogen 2.775 N/A GLY 895.A N ASP 918.A O no hydrogen 2.884 N/A ASP 896.A N GLU 931.A OE1 no hydrogen 3.054 N/A ARG 897.A NE HIS 913.A ND1 no hydrogen 2.932 N/A ARG 897.A NH2 ASN 901.A O no hydrogen 3.317 N/A ASN 901.A N HIS 898.A O no hydrogen 2.823 N/A MET 903.A N LEU 912.A O no hydrogen 2.791 N/A LEU 904.A N ASP 802.A O no hydrogen 3.120 N/A ASP 905.A N LYS 910.A O no hydrogen 2.864 N/A ARG 906.A N HIS 800.A O no hydrogen 2.873 N/A ARG 906.A NE ASP 802.A OD1 no hydrogen 3.103 N/A ARG 906.A NH2 ASP 802.A OD1 no hydrogen 3.292 N/A LEU 907.A N ASP 905.A OD1 no hydrogen 3.063 N/A SER 908.A N ASP 905.A OD1 no hydrogen 2.678 N/A GLY 909.A N ASP 905.A O no hydrogen 2.928 N/A LYS 910.A N SER 908.A OG no hydrogen 3.039 N/A ILE 911.A N SER 881.A OG no hydrogen 2.928 N/A LEU 912.A N MET 903.A O no hydrogen 2.907 N/A ILE 914.A N ASN 901.A O no hydrogen 2.833 N/A GLY 917.A N ASP 915.A OD1 no hydrogen 3.288 N/A CYS 919.A N GLY 917.A O no hydrogen 2.987 N/A CYS 919.A SG PHE 916.A O no hydrogen 3.373 N/A PHE 920.A N LEU 892.A O no hydrogen 2.716 N/A MET 924.A N GLU 921.A O no hydrogen 2.859 N/A THR 925.A N GLU 921.A O no hydrogen 2.958 N/A THR 925.A OG1 GLU 921.A O no hydrogen 2.795 N/A ARG 926.A NE ALA 923.A O no hydrogen 3.032 N/A GLU 931.A N ALA 923.A O no hydrogen 3.136 N/A ARG 936.A NE ARG 897.A O no hydrogen 3.208 N/A ARG 936.A NH2 CYS 1049.A O no hydrogen 2.979 N/A THR 938.A OG1 PRO 1050.A O no hydrogen 3.114 N/A THR 938.A OG1 TRP 1052.A O no hydrogen 2.828 N/A ARG 939.A NE PHE 1051.A O no hydrogen 2.766 N/A ARG 939.A NH1 VAL 849.A O no hydrogen 3.077 N/A ARG 939.A NH1 THR 852.A O no hydrogen 3.314 N/A ARG 939.A NH2 GLU 822.A OE2 no hydrogen 3.374 N/A ARG 939.A NH2 THR 852.A OG1 no hydrogen 2.757 N/A ARG 939.A NH2 PHE 1051.A O no hydrogen 3.314 N/A MET 940.A N TRP 1052.A O no hydrogen 2.830 N/A THR 942.A N THR 938.A O no hydrogen 3.022 N/A THR 942.A OG1 THR 938.A O no hydrogen 2.760 N/A ASN 943.A N ARG 939.A O no hydrogen 2.825 N/A ALA 944.A N MET 940.A O no hydrogen 3.095 N/A MET 945.A N THR 942.A O no hydrogen 3.205 N/A GLU 946.A N GLU 946.A OE1 no hydrogen 3.326 N/A THR 948.A OG1 GLY 47.A O no hydrogen 2.738 N/A THR 948.A OG1 ASP 951.A OD2 no hydrogen 3.533 N/A GLY 952.A N THR 948.A O no hydrogen 2.867 N/A ASN 953.A N GLU 946.A OE2 no hydrogen 3.396 N/A ASN 953.A ND2 GLU 946.A OE1 no hydrogen 3.373 N/A ASN 953.A ND2 GLU 946.A OE2 no hydrogen 3.015 N/A TYR 954.A OH SER 886.A OG no hydrogen 2.825 N/A ARG 955.A NH1 LEU 950.A O no hydrogen 2.755 N/A ILE 956.A N GLY 952.A O no hydrogen 3.285 N/A THR 957.A N ASN 953.A O no hydrogen 2.896 N/A THR 957.A OG1 ASN 953.A O no hydrogen 2.696 N/A CYS 958.A N TYR 954.A O no hydrogen 2.792 N/A CYS 958.A SG TYR 954.A O no hydrogen 3.180 N/A HIS 959.A N ARG 955.A O no hydrogen 2.832 N/A THR 960.A N ILE 956.A O no hydrogen 3.134 N/A THR 960.A OG1 ILE 956.A O no hydrogen 2.709 N/A VAL 961.A N THR 957.A O no hydrogen 2.933 N/A MET 962.A N CYS 958.A O no hydrogen 3.112 N/A GLU 963.A N HIS 959.A O no hydrogen 2.750 N/A VAL 964.A N THR 960.A O no hydrogen 3.063 N/A LEU 965.A N VAL 961.A O no hydrogen 3.023 N/A ARG 966.A N MET 962.A O no hydrogen 3.086 N/A ARG 966.A NE GLN 1027.A OE1 no hydrogen 3.231 N/A ARG 966.A NH2 LEU 1022.A O no hydrogen 2.749 N/A ARG 966.A NH2 GLN 1027.A OE1 no hydrogen 3.534 N/A GLU 967.A N GLU 963.A O no hydrogen 3.048 N/A HIS 968.A N VAL 964.A O no hydrogen 3.097 N/A LYS 969.A N ARG 966.A O no hydrogen 3.299 N/A SER 971.A OG GLN 459.A OE1 no hydrogen 3.115 N/A VAL 972.A N HIS 968.A O no hydrogen 3.450 N/A MET 973.A N LYS 969.A O no hydrogen 2.850 N/A ALA 974.A N ASP 970.A O no hydrogen 2.908 N/A VAL 975.A N SER 971.A O no hydrogen 3.215 N/A LEU 976.A N VAL 972.A O no hydrogen 3.042 N/A GLU 977.A N MET 973.A O no hydrogen 2.830 N/A ALA 978.A N ALA 974.A O no hydrogen 3.056 N/A PHE 979.A N LEU 976.A O no hydrogen 3.132 N/A VAL 980.A N LEU 976.A O no hydrogen 2.909 N/A TYR 981.A N GLU 977.A O no hydrogen 3.156 N/A LEU 984.A N ASP 982.A OD1 no hydrogen 3.293 N/A LEU 985.A N ASP 982.A O no hydrogen 3.359 N/A ARG 988.A NE LEU 985.A O no hydrogen 3.164 N/A ARG 988.A NH2 PHE 979.A O no hydrogen 2.964 N/A LEU 989.A N ASN 986.A O no hydrogen 3.140 N/A THR 992.A OG1 LEU 989.A O no hydrogen 2.749 N/A ASN 993.A N MET 990.A O no hydrogen 3.452 N/A ALA 1000.A N LEU 996.A O no hydrogen 2.769 N/A ILE 1001.A N ASN 997.A O no hydrogen 3.383 N/A GLN 1002.A N LYS 998.A O no hydrogen 3.320 N/A ILE 1003.A N LYS 999.A O no hydrogen 3.433 N/A ILE 1004.A N ALA 1000.A O no hydrogen 3.289 N/A ASN 1005.A N ILE 1001.A O no hydrogen 2.999 N/A ARG 1006.A N GLN 1002.A O no hydrogen 2.918 N/A ARG 1006.A NH1 GLU 921.A OE2 no hydrogen 2.678 N/A VAL 1007.A N ILE 1003.A O no hydrogen 2.875 N/A ARG 1008.A N ILE 1004.A O no hydrogen 2.954 N/A ASP 1009.A N ASN 1005.A O no hydrogen 2.815 N/A LYS 1010.A N ARG 1006.A O no hydrogen 3.346 N/A LYS 1010.A NZ TYR 890.A O no hydrogen 2.671 N/A LYS 1010.A NZ GLU 921.A OE1 no hydrogen 3.419 N/A LYS 1010.A NZ GLU 921.A OE2 no hydrogen 3.500 N/A LEU 1011.A N VAL 1007.A O no hydrogen 3.011 N/A THR 1012.A OG1 ARG 1008.A O no hydrogen 2.748 N/A THR 1012.A OG1 ASP 1009.A O no hydrogen 3.408 N/A ARG 1014.A N ASP 1009.A O no hydrogen 2.762 N/A SER 1017.A OG ASP 1020.A OD2 no hydrogen 3.449 N/A HIS 1018.A ND1 ASP 1019.A OD1 no hydrogen 2.697 N/A LEU 1022.A N GLY 1013.A O no hydrogen 2.786 N/A THR 1026.A OG1 ASP 1023.A OD1 no hydrogen 2.559 N/A GLN 1027.A N ASP 1023.A O no hydrogen 2.965 N/A GLN 1027.A NE2 LYS 1010.A O no hydrogen 2.903 N/A GLN 1027.A NE2 ASP 1015.A OD2 no hydrogen 2.751 N/A VAL 1028.A N VAL 1024.A O no hydrogen 2.799 N/A GLU 1029.A N PRO 1025.A O no hydrogen 3.064 N/A LEU 1030.A N THR 1026.A O no hydrogen 2.867 N/A LEU 1031.A N GLN 1027.A O no hydrogen 2.923 N/A ILE 1032.A N VAL 1028.A O no hydrogen 2.999 N/A LYS 1033.A N GLU 1029.A O no hydrogen 3.025 N/A GLN 1034.A N LEU 1030.A O no hydrogen 3.116 N/A GLN 1034.A NE2 LYS 932.A O no hydrogen 3.492 N/A ALA 1035.A N LEU 1031.A O no hydrogen 2.889 N/A THR 1036.A N ILE 1032.A O no hydrogen 2.897 N/A THR 1036.A OG1 ILE 1032.A O no hydrogen 2.695 N/A SER 1037.A N LYS 1033.A O no hydrogen 3.016 N/A HIS 1038.A ND1 GLU 846.A OE2 no hydrogen 2.863 N/A ASN 1040.A ND2 GLN 1034.A O no hydrogen 2.767 N/A LEU 1041.A N SER 1037.A O no hydrogen 2.862 N/A CYS 1042.A N HIS 1038.A O no hydrogen 2.879 N/A CYS 1042.A SG HIS 1038.A O no hydrogen 3.303 N/A CYS 1042.A SG GLU 1039.A O no hydrogen 3.415 N/A GLN 1043.A NE2 GLU 1039.A O no hydrogen 2.792 N/A CYS 1044.A N LEU 1041.A O no hydrogen 3.139 N/A CYS 1044.A SG ASN 1040.A O no hydrogen 3.574 N/A CYS 1044.A SG LEU 1041.A O no hydrogen 3.425 N/A TRP 1048.A N TYR 1045.A O no hydrogen 3.016 N/A CYS 1049.A N ILE 1046.A O no hydrogen 3.062 N/A CYS 1049.A SG ILE 1046.A O no hydrogen 3.810 N/A CYS 1049.A SG GLY 1047.A O no hydrogen 3.452 N/A TRP 1052.A N CYS 1049.A O no hydrogen 3.256 N/A