Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nyr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N PHE 13.A O no hydrogen 2.386 N/A GLN 4.A N GLY 54.A O no hydrogen 2.525 N/A PHE 13.A N ILE 1.A O no hydrogen 2.612 N/A THR 17.A N ASP 14.A O no hydrogen 2.758 N/A THR 17.A OG1 ASP 14.A O no hydrogen 2.595 N/A THR 18.A N ASP 21.A OD2 no hydrogen 2.813 N/A THR 18.A OG1 ASP 21.A OD2 no hydrogen 3.266 N/A THR 18.A OG1 LEU 46.A O no hydrogen 2.927 N/A GLU 20.A N LEU 46.A O no hydrogen 2.745 N/A ASP 21.A N THR 18.A OG1 no hydrogen 3.229 N/A ILE 22.A N THR 18.A O no hydrogen 2.822 N/A ALA 23.A N THR 19.A O no hydrogen 2.732 N/A GLN 24.A N GLU 20.A O no hydrogen 2.865 N/A SER 25.A N ASP 21.A O no hydrogen 2.577 N/A SER 25.A OG ILE 22.A O no hydrogen 2.716 N/A ILE 26.A N ALA 23.A O no hydrogen 3.118 N/A SER 27.A N ALA 23.A O no hydrogen 2.825 N/A SER 27.A OG ILE 26.A O no hydrogen 2.449 N/A ARG 31.A N SER 27.A O no hydrogen 3.419 N/A ARG 31.A NH1 GLN 24.A OE1 no hydrogen 2.632 N/A LYS 32.A N PRO 28.A O no hydrogen 3.048 N/A LYS 33.A N GLY 29.A O no hydrogen 3.140 N/A ALA 34.A N LEU 30.A O no hydrogen 2.692 N/A VAL 35.A N VAL 59.A O no hydrogen 2.874 N/A ALA 36.A N VAL 59.A O no hydrogen 3.471 N/A GLY 37.A N VAL 44.A O no hydrogen 2.790 N/A LYS 38.A N GLU 57.A O no hydrogen 3.112 N/A LYS 38.A NZ GLU 65.A OE1 no hydrogen 3.106 N/A PHE 39.A N GLN 42.A O no hydrogen 2.821 N/A ASN 40.A N SER 55.A O no hydrogen 2.928 N/A VAL 44.A N GLY 37.A O no hydrogen 2.339 N/A LYS 48.A N ASP 45.A O no hydrogen 3.028 N/A LEU 50.A N THR 17.A O no hydrogen 3.257 N/A GLY 54.A N ASN 2.A O no hydrogen 2.905 N/A VAL 59.A N ALA 36.A O no hydrogen 3.110 N/A SER 63.A N THR 60.A O no hydrogen 3.056 N/A GLU 65.A N SER 63.A OG no hydrogen 2.919 N/A GLU 68.A N GLU 64.A O no hydrogen 3.161 N/A VAL 69.A N GLU 65.A O no hydrogen 3.037 N/A LEU 70.A N ALA 66.A O no hydrogen 2.813 N/A ARG 71.A N LEU 67.A O no hydrogen 2.716 N/A ARG 71.A NH1 ALA 218.A O no hydrogen 2.871 N/A HIS 72.A N GLU 68.A O no hydrogen 2.697 N/A SER 73.A N VAL 69.A O no hydrogen 3.091 N/A SER 73.A OG VAL 69.A O no hydrogen 2.973 N/A THR 74.A N LEU 70.A O no hydrogen 3.029 N/A THR 74.A OG1 LEU 70.A O no hydrogen 2.766 N/A ALA 75.A N ARG 71.A O no hydrogen 3.246 N/A HIS 76.A N HIS 72.A O no hydrogen 3.502 N/A LEU 77.A N SER 73.A O no hydrogen 3.206 N/A MET 78.A N THR 74.A O no hydrogen 2.692 N/A ALA 79.A N ALA 75.A O no hydrogen 2.991 N/A HIS 80.A N HIS 76.A O no hydrogen 2.785 N/A HIS 80.A ND1 GLN 171.A OE1 no hydrogen 3.328 N/A HIS 80.A NE2 ASP 173.A OD2 no hydrogen 3.251 N/A ALA 81.A N LEU 77.A O no hydrogen 3.017 N/A ILE 82.A N MET 78.A O no hydrogen 2.754 N/A LYS 83.A N ALA 79.A O no hydrogen 2.692 N/A LYS 83.A N HIS 80.A O no hydrogen 2.992 N/A LYS 83.A NZ ASP 173.A O no hydrogen 3.300 N/A ARG 84.A N HIS 80.A O no hydrogen 3.154 N/A ARG 84.A NE HIS 80.A NE2 no hydrogen 3.339 N/A ARG 84.A NE ASP 173.A OD2 no hydrogen 2.291 N/A ARG 84.A NH1 GLU 129.A OE1 no hydrogen 2.982 N/A ARG 84.A NH1 GLU 129.A OE2 no hydrogen 2.923 N/A ARG 84.A NH2 HIS 80.A NE2 no hydrogen 3.447 N/A ARG 84.A NH2 GLU 129.A OE1 no hydrogen 3.101 N/A LEU 85.A N ALA 81.A O no hydrogen 3.093 N/A TYR 86.A N ILE 82.A O no hydrogen 3.153 N/A LYS 90.A NZ GLU 151.A OE2 no hydrogen 2.681 N/A PHE 91.A N ASP 150.A OD1 no hydrogen 2.826 N/A PHE 91.A N ASP 150.A OD2 no hydrogen 3.502 N/A GLY 92.A N ASP 104.A O no hydrogen 3.264 N/A ILE 97.A N GLY 100.A O no hydrogen 3.055 N/A GLY 100.A N ILE 97.A O no hydrogen 3.248 N/A PHE 101.A N GLY 216.A O no hydrogen 2.689 N/A TYR 103.A N ILE 214.A O no hydrogen 2.970 N/A TYR 103.A OH ASP 176.A OD1 no hydrogen 2.650 N/A PHE 105.A N GLN 212.A O no hydrogen 2.981 N/A ILE 111.A N GLN 212.A OE1 no hydrogen 3.069 N/A SER 112.A N ASP 115.A OD2 no hydrogen 2.577 N/A SER 112.A OG ASP 114.A OD1 no hydrogen 2.391 N/A SER 112.A OG ASP 115.A OD2 no hydrogen 3.004 N/A SER 113.A N ASP 114.A OD1 no hydrogen 3.285 N/A ASP 114.A N SER 112.A OG no hydrogen 3.137 N/A PHE 116.A N SER 113.A O no hydrogen 3.158 N/A ILE 119.A N ASP 115.A O no hydrogen 2.846 N/A GLU 120.A N PHE 116.A O no hydrogen 2.787 N/A LYS 121.A N GLU 117.A O no hydrogen 2.818 N/A THR 122.A N GLN 118.A O no hydrogen 2.726 N/A THR 122.A OG1 GLN 118.A O no hydrogen 3.170 N/A THR 122.A OG1 GLN 118.A OE1 no hydrogen 3.125 N/A MET 123.A N ILE 119.A O no hydrogen 3.330 N/A LYS 124.A N GLU 120.A O no hydrogen 3.101 N/A LYS 124.A N LYS 121.A O no hydrogen 3.047 N/A GLN 125.A N LYS 121.A O no hydrogen 3.078 N/A ILE 126.A N THR 122.A O no hydrogen 3.045 N/A VAL 127.A N LYS 124.A O no hydrogen 2.785 N/A ASN 128.A N LYS 124.A O no hydrogen 3.038 N/A ASN 128.A N GLN 125.A O no hydrogen 3.167 N/A GLU 129.A N GLN 125.A O no hydrogen 3.355 N/A ASN 130.A N VAL 127.A O no hydrogen 3.055 N/A GLU 134.A N SER 170.A O no hydrogen 2.719 N/A LYS 136.A N LEU 168.A O no hydrogen 3.035 N/A SER 139.A OG SER 139.A O no hydrogen 2.527 N/A ARG 140.A NH2 GLU 164.A O no hydrogen 2.926 N/A GLU 145.A N ASP 141.A O no hydrogen 3.096 N/A LEU 146.A N GLU 142.A O no hydrogen 2.778 N/A PHE 147.A N ALA 143.A O no hydrogen 2.994 N/A PHE 147.A N LYS 144.A O no hydrogen 3.427 N/A TYR 152.A OH ASP 106.A OD2 no hydrogen 2.450 N/A LYS 153.A N ASP 150.A OD2 no hydrogen 2.520 N/A LYS 153.A NZ THR 175.A O no hydrogen 3.460 N/A LEU 154.A N ASP 150.A O no hydrogen 2.694 N/A GLU 155.A N GLU 151.A O no hydrogen 2.480 N/A LEU 156.A N LYS 153.A O no hydrogen 3.189 N/A ILE 157.A N LYS 153.A O no hydrogen 2.447 N/A ASP 158.A N LEU 154.A O no hydrogen 3.183 N/A THR 167.A OG1 CYS 178.A O no hydrogen 2.803 N/A LEU 168.A N LYS 136.A O no hydrogen 2.967 N/A TYR 169.A N ASP 176.A O no hydrogen 2.878 N/A SER 170.A N GLU 134.A O no hydrogen 3.025 N/A SER 170.A OG THR 175.A OG1 no hydrogen 3.186 N/A GLN 171.A N PHE 174.A O no hydrogen 3.121 N/A GLN 171.A NE2 THR 186.A OG1 no hydrogen 3.068 N/A PHE 174.A N GLN 171.A O no hydrogen 3.022 N/A THR 175.A OG1 SER 170.A OG no hydrogen 3.186 N/A ASP 176.A N TYR 169.A O no hydrogen 2.891 N/A LEU 177.A N ASP 176.A OD2 no hydrogen 2.753 N/A CYS 178.A N THR 167.A O no hydrogen 3.278 N/A CYS 178.A SG HIS 72.A NE2 no hydrogen 3.363 N/A CYS 178.A SG HIS 76.A NE2 no hydrogen 3.851 N/A HIS 182.A N ASP 45.A OD2 no hydrogen 3.376 N/A VAL 183.A N SER 73.A OG no hydrogen 2.698 N/A ALA 187.A N SER 185.A OG no hydrogen 3.231 N/A LYS 188.A N SER 185.A O no hydrogen 2.869 N/A LYS 188.A NZ LYS 32.A O no hydrogen 2.756 N/A LYS 193.A N THR 217.A O no hydrogen 2.791 N/A LEU 194.A N GLU 120.A OE2 no hydrogen 3.106 N/A LEU 195.A N TYR 215.A O no hydrogen 2.744 N/A THR 197.A OG1 SER 112.A O no hydrogen 3.254 N/A ALA 198.A N ARG 213.A O no hydrogen 2.847 N/A ALA 200.A N LEU 211.A O no hydrogen 2.932 N/A TRP 202.A N LYS 209.A O no hydrogen 2.968 N/A TRP 202.A NE1 GLU 155.A OE1 no hydrogen 2.982 N/A GLY 204.A N TYR 201.A O no hydrogen 3.141 N/A ASN 207.A N ASP 205.A OD1 no hydrogen 3.118 N/A LYS 209.A NZ ASP 106.A OD1 no hydrogen 3.472 N/A GLN 212.A N PHE 105.A O no hydrogen 2.917 N/A GLN 212.A NE2 GLN 109.A O no hydrogen 2.773 N/A ARG 213.A N ALA 198.A O no hydrogen 3.063 N/A ARG 213.A NE ASP 104.A OD2 no hydrogen 2.571 N/A ARG 213.A NH2 ASP 104.A OD1 no hydrogen 2.739 N/A ARG 213.A NH2 ASP 104.A OD2 no hydrogen 3.313 N/A ILE 214.A N TYR 103.A O no hydrogen 3.159 N/A TYR 215.A N SER 196.A O no hydrogen 2.687 N/A GLY 216.A N PHE 101.A O no hydrogen 2.611 N/A THR 217.A N LYS 193.A O no hydrogen 2.786 N/A PHE 219.A N GLU 191.A O no hydrogen 2.764 N/A LEU 225.A N ASP 221.A O no hydrogen 3.351 N/A LYS 226.A N LYS 222.A O no hydrogen 2.752 N/A ALA 227.A N LYS 223.A O no hydrogen 3.029 N/A HIS 228.A N GLU 224.A O no hydrogen 3.296 N/A LEU 229.A N LEU 225.A O no hydrogen 2.999 N/A GLN 230.A N LYS 226.A O no hydrogen 3.168 N/A MET 231.A N ALA 227.A O no hydrogen 2.847 N/A LEU 232.A N HIS 228.A O no hydrogen 2.897 N/A GLU 233.A N LEU 229.A O no hydrogen 2.754 N/A GLU 234.A N GLN 230.A O no hydrogen 2.748 N/A ARG 235.A N MET 231.A O no hydrogen 3.035 N/A LYS 236.A N LEU 232.A O no hydrogen 3.133 N/A LYS 236.A NZ GLU 233.A OE2 no hydrogen 3.430 N/A GLU 237.A N GLU 233.A O no hydrogen 3.275 N/A ARG 238.A N GLU 234.A O no hydrogen 3.397 N/A ARG 238.A N ARG 235.A O no hydrogen 3.140 N/A ASP 239.A N LYS 236.A O no hydrogen 2.871 N/A HIS 240.A ND1 GLU 530.A OE2 no hydrogen 3.081 N/A ARG 241.A N ASP 239.A OD1 no hydrogen 2.911 N/A ARG 241.A NH2 ASP 239.A OD2 no hydrogen 2.890 N/A LYS 242.A N ASP 239.A O no hydrogen 2.659 N/A LYS 242.A NZ GLU 246.A OE1 no hydrogen 3.139 N/A LYS 242.A NZ GLU 246.A OE2 no hydrogen 3.432 N/A ILE 243.A N ASP 239.A O no hydrogen 3.031 N/A GLY 244.A N HIS 240.A O no hydrogen 2.786 N/A LYS 245.A N LYS 242.A O no hydrogen 3.053 N/A GLU 246.A N LYS 242.A O no hydrogen 2.946 N/A LEU 247.A N ILE 243.A O no hydrogen 2.720 N/A GLU 248.A N LYS 245.A O no hydrogen 3.301 N/A LEU 249.A N GLY 244.A O no hydrogen 2.777 N/A THR 251.A N LEU 262.A O no hydrogen 2.998 N/A VAL 256.A N SER 253.A O no hydrogen 2.818 N/A GLY 257.A N SER 253.A O no hydrogen 3.164 N/A LEU 262.A N THR 251.A O no hydrogen 2.744 N/A LEU 264.A N LEU 249.A O no hydrogen 3.064 N/A ASN 266.A ND2 LEU 247.A O no hydrogen 2.822 N/A ALA 268.A N LEU 264.A O no hydrogen 2.798 N/A THR 269.A N PRO 265.A O no hydrogen 2.983 N/A THR 269.A OG1 PRO 265.A O no hydrogen 3.446 N/A ARG 271.A N GLY 267.A O no hydrogen 3.196 N/A ARG 271.A NE GLU 275.A OE2 no hydrogen 2.796 N/A ARG 271.A NH2 GLU 275.A OE2 no hydrogen 3.346 N/A ARG 272.A N ALA 268.A O no hydrogen 2.898 N/A ARG 272.A NH2 THR 269.A OG1 no hydrogen 3.380 N/A GLU 273.A N THR 269.A O no hydrogen 3.043 N/A ILE 274.A N ILE 270.A O no hydrogen 2.931 N/A GLU 275.A N ARG 271.A O no hydrogen 2.679 N/A ARG 276.A N ARG 272.A O no hydrogen 2.771 N/A TYR 277.A N GLU 273.A O no hydrogen 3.162 N/A TYR 277.A OH ASP 409.A OD2 no hydrogen 2.457 N/A ILE 278.A N ILE 274.A O no hydrogen 3.130 N/A VAL 279.A N GLU 275.A O no hydrogen 2.958 N/A ASP 280.A N ARG 276.A O no hydrogen 2.928 N/A LYS 281.A N TYR 277.A O no hydrogen 2.995 N/A GLU 282.A N ILE 278.A O no hydrogen 2.832 N/A VAL 283.A N VAL 279.A O no hydrogen 3.058 N/A SER 284.A N ASP 280.A O no hydrogen 3.043 N/A SER 284.A N LYS 281.A O no hydrogen 3.133 N/A SER 284.A OG LYS 281.A O no hydrogen 2.749 N/A MET 285.A N GLU 282.A O no hydrogen 2.899 N/A TYR 287.A N GLU 282.A O no hydrogen 3.035 N/A ASP 288.A N ARG 353.A O no hydrogen 2.714 N/A HIS 289.A NE2 GLU 282.A OE1 no hydrogen 2.612 N/A VAL 290.A N ALA 355.A O no hydrogen 2.916 N/A THR 292.A N GLU 356.A OE2 no hydrogen 2.730 N/A THR 292.A OG1 GLU 356.A OE1 no hydrogen 2.533 N/A THR 292.A OG1 GLU 356.A OE2 no hydrogen 3.088 N/A ALA 296.A N VAL 327.A O no hydrogen 3.266 N/A VAL 298.A N SER 325.A O no hydrogen 2.644 N/A ASP 299.A N ASN 297.A OD1 no hydrogen 3.090 N/A LEU 300.A N ASN 297.A O no hydrogen 2.783 N/A TYR 301.A N VAL 298.A O no hydrogen 2.907 N/A LYS 302.A N VAL 298.A O no hydrogen 3.008 N/A THR 303.A N ASP 299.A O no hydrogen 2.986 N/A THR 303.A OG1 ASP 299.A O no hydrogen 2.744 N/A SER 304.A N LEU 300.A O no hydrogen 3.016 N/A SER 304.A OG LEU 300.A O no hydrogen 2.942 N/A SER 304.A OG TYR 301.A O no hydrogen 3.170 N/A SER 304.A OG HIS 306.A ND1 no hydrogen 2.895 N/A GLY 305.A N TYR 301.A O no hydrogen 2.967 N/A HIS 306.A ND1 SER 304.A OG no hydrogen 2.895 N/A TRP 307.A N TYR 301.A O no hydrogen 2.882 N/A HIS 309.A N GLY 305.A O no hydrogen 2.755 N/A TYR 310.A N HIS 306.A O no hydrogen 2.513 N/A ASP 313.A N TYR 310.A O no hydrogen 2.996 N/A MET 314.A N GLN 311.A O no hydrogen 3.237 N/A THR 323.A N LEU 320.A O no hydrogen 3.125 N/A THR 323.A N ASP 321.A O no hydrogen 2.374 N/A THR 323.A OG1 ASP 321.A O no hydrogen 3.126 N/A GLU 324.A N LEU 320.A O no hydrogen 3.373 N/A MET 326.A N MET 318.A O no hydrogen 3.285 N/A VAL 327.A N ALA 296.A O no hydrogen 3.144 N/A ARG 329.A N VAL 294.A O no hydrogen 2.930 N/A ARG 329.A NE THR 359.A O no hydrogen 2.860 N/A ARG 329.A NH1 THR 292.A OG1 no hydrogen 2.696 N/A ARG 329.A NH2 GLU 356.A OE2 no hydrogen 3.150 N/A ASN 332.A ND2 ASP 382.A OD1 no hydrogen 2.879 N/A HIS 335.A NE2 LEU 295.A O no hydrogen 3.015 N/A HIS 336.A N ASN 332.A O no hydrogen 3.003 N/A HIS 336.A ND1 HIS 384.A ND1 no hydrogen 2.819 N/A HIS 336.A NE2 GLU 356.A OE1 no hydrogen 2.768 N/A MET 337.A N CYS 333.A O no hydrogen 2.804 N/A MET 338.A N PRO 334.A O no hydrogen 3.379 N/A ILE 339.A N HIS 336.A O no hydrogen 3.354 N/A TYR 340.A N HIS 336.A O no hydrogen 3.405 N/A TYR 340.A OH THR 499.A O no hydrogen 2.809 N/A ALA 341.A N MET 337.A O no hydrogen 2.883 N/A ASN 342.A N ILE 339.A O no hydrogen 3.110 N/A HIS 345.A ND1 GLU 349.A OE1 no hydrogen 2.926 N/A SER 346.A N GLU 349.A OE2 no hydrogen 3.019 N/A TYR 347.A N ILE 501.A O no hydrogen 2.889 N/A ARG 348.A N SER 346.A OG no hydrogen 2.979 N/A GLU 349.A N SER 346.A O no hydrogen 2.759 N/A LEU 350.A N TYR 347.A O no hydrogen 3.031 N/A ILE 352.A N PHE 386.A O no hydrogen 3.146 N/A ARG 353.A NE GLU 395.A OE2 no hydrogen 2.895 N/A ARG 353.A NH1 GLY 286.A O no hydrogen 3.455 N/A ARG 353.A NH2 GLU 395.A OE1 no hydrogen 3.014 N/A ARG 353.A NH2 GLU 395.A OE2 no hydrogen 3.367 N/A ILE 354.A N HIS 384.A O no hydrogen 2.990 N/A ALA 355.A N ASP 288.A O no hydrogen 2.987 N/A GLU 356.A N ASP 382.A O no hydrogen 2.930 N/A THR 359.A OG1 THR 379.A OG1 no hydrogen 2.667 N/A MET 360.A N MET 378.A O no hydrogen 2.732 N/A HIS 361.A N ARG 329.A O no hydrogen 2.863 N/A ARG 362.A N ARG 376.A O no hydrogen 2.802 N/A ARG 362.A NE PRO 330.A O no hydrogen 2.924 N/A ARG 362.A NH2 PRO 330.A O no hydrogen 3.351 N/A TYR 363.A N ASP 313.A O no hydrogen 2.795 N/A GLU 364.A N ARG 362.A O no hydrogen 2.544 N/A ALA 368.A N ALA 365.A O no hydrogen 2.629 N/A SER 370.A N ARG 374.A O no hydrogen 3.284 N/A LEU 372.A N HIS 240.A NE2 no hydrogen 3.018 N/A ARG 374.A N SER 370.A O no hydrogen 2.967 N/A ARG 374.A NE GLU 364.A OE1 no hydrogen 3.138 N/A ARG 374.A NH1 GLU 481.A OE2 no hydrogen 3.535 N/A ARG 374.A NH2 GLU 364.A OE1 no hydrogen 3.320 N/A ARG 376.A N GLY 259.A O no hydrogen 2.743 N/A ARG 376.A NE GLU 364.A O no hydrogen 2.964 N/A ARG 376.A NH2 GLU 364.A O no hydrogen 2.580 N/A GLY 377.A N GLY 259.A O no hydrogen 3.166 N/A MET 378.A N MET 360.A O no hydrogen 2.830 N/A THR 379.A N GLU 522.A OE2 no hydrogen 3.142 N/A THR 379.A OG1 THR 359.A OG1 no hydrogen 2.667 N/A LEU 380.A N GLY 358.A O no hydrogen 2.664 N/A ASN 381.A N SER 519.A O no hydrogen 2.773 N/A ASP 382.A N GLU 356.A O no hydrogen 2.869 N/A SER 383.A N ARG 515.A O no hydrogen 3.194 N/A SER 383.A OG ILE 354.A O no hydrogen 2.873 N/A HIS 384.A N ILE 354.A O no hydrogen 2.878 N/A HIS 384.A ND1 HIS 336.A ND1 no hydrogen 2.819 N/A ILE 385.A N ILE 513.A O no hydrogen 3.035 N/A PHE 386.A N ILE 352.A O no hydrogen 2.883 N/A VAL 387.A N VAL 511.A O no hydrogen 2.657 N/A ARG 388.A N GLN 391.A OE1 no hydrogen 2.951 N/A ARG 388.A NE TYR 347.A O no hydrogen 3.376 N/A ARG 388.A NH1 ASP 390.A OD1 no hydrogen 2.714 N/A GLN 391.A N ARG 388.A O no hydrogen 3.457 N/A ILE 392.A N PRO 389.A O no hydrogen 3.510 N/A LYS 393.A NZ GLU 446.A OE2 no hydrogen 2.783 N/A LYS 393.A NZ GLU 450.A OE2 no hydrogen 2.781 N/A GLU 395.A N GLN 391.A O no hydrogen 2.949 N/A PHE 396.A N ILE 392.A O no hydrogen 2.860 N/A LYS 397.A N LYS 393.A O no hydrogen 2.882 N/A LYS 397.A NZ GLU 450.A OE1 no hydrogen 2.450 N/A ARG 398.A N GLU 394.A O no hydrogen 3.181 N/A ARG 398.A NE GLU 395.A OE1 no hydrogen 2.841 N/A ARG 398.A NH2 GLU 395.A OE1 no hydrogen 2.416 N/A VAL 399.A N GLU 395.A O no hydrogen 3.025 N/A VAL 400.A N PHE 396.A O no hydrogen 2.976 N/A ASN 401.A N LYS 397.A O no hydrogen 2.856 N/A MET 402.A N ARG 398.A O no hydrogen 3.109 N/A MET 402.A N VAL 399.A O no hydrogen 2.945 N/A ILE 403.A N VAL 399.A O no hydrogen 2.961 N/A ILE 404.A N VAL 400.A O no hydrogen 2.966 N/A ASP 405.A N ASN 401.A O no hydrogen 3.101 N/A VAL 406.A N MET 402.A O no hydrogen 2.732 N/A TYR 407.A N ILE 403.A O no hydrogen 3.156 N/A TYR 407.A OH SER 484.A OG no hydrogen 2.557 N/A LYS 408.A N ILE 404.A O no hydrogen 3.124 N/A LYS 408.A NZ ASP 405.A OD1 no hydrogen 2.483 N/A ASP 409.A N ASP 405.A O no hydrogen 3.113 N/A PHE 410.A N VAL 406.A O no hydrogen 3.250 N/A GLY 411.A N LYS 408.A O no hydrogen 2.653 N/A PHE 412.A N TYR 407.A O no hydrogen 2.865 N/A SER 416.A N GLN 472.A O no hydrogen 2.831 N/A SER 416.A OG GLU 480.A OE2 no hydrogen 3.494 N/A ARG 418.A N ASP 470.A O no hydrogen 2.697 N/A ARG 418.A NE SER 420.A OG no hydrogen 3.221 N/A ARG 418.A NH2 ASP 470.A OD2 no hydrogen 3.231 N/A SER 420.A N LYS 468.A O no hydrogen 2.864 N/A SER 420.A OG ARG 418.A O no hydrogen 3.505 N/A SER 420.A OG ASP 470.A OD2 no hydrogen 3.012 N/A TYR 421.A N ALA 458.A O no hydrogen 2.711 N/A TYR 421.A OH GLU 457.A OE2 no hydrogen 2.617 N/A ARG 422.A N GLU 441.A OE2 no hydrogen 2.860 N/A LYS 427.A N ASP 426.A OD1 no hydrogen 2.518 N/A LYS 427.A NZ ASP 433.A OD2 no hydrogen 3.191 N/A TRP 437.A N ASP 433.A O no hydrogen 3.133 N/A ASN 438.A N ASP 434.A O no hydrogen 2.836 N/A ASN 438.A ND2 ASP 434.A O no hydrogen 3.345 N/A LYS 439.A N ASP 435.A O no hydrogen 2.452 N/A ALA 440.A N MET 436.A O no hydrogen 2.590 N/A GLU 441.A N TRP 437.A O no hydrogen 2.816 N/A ASN 442.A N ASN 438.A O no hydrogen 2.783 N/A MET 443.A N LYS 439.A O no hydrogen 2.984 N/A LEU 444.A N ALA 440.A O no hydrogen 2.765 N/A LYS 445.A N GLU 441.A O no hydrogen 2.953 N/A GLU 446.A N ASN 442.A O no hydrogen 2.850 N/A ALA 447.A N MET 443.A O no hydrogen 2.939 N/A ALA 448.A N LEU 444.A O no hydrogen 2.937 N/A ASP 449.A N LYS 445.A O no hydrogen 2.971 N/A GLU 450.A N GLU 446.A O no hydrogen 2.671 N/A LEU 451.A N ALA 447.A O no hydrogen 3.209 N/A LEU 451.A N ALA 448.A O no hydrogen 3.056 N/A GLY 452.A N ASP 449.A O no hydrogen 2.996 N/A TYR 455.A OH ASP 449.A OD1 no hydrogen 2.406 N/A TYR 455.A OH ASP 449.A OD2 no hydrogen 2.935 N/A ALA 458.A N LEU 419.A O no hydrogen 2.999 N/A GLY 460.A N TYR 421.A O no hydrogen 2.750 N/A GLU 461.A N TYR 421.A O no hydrogen 3.131 N/A ALA 462.A N TYR 421.A O no hydrogen 3.239 N/A ALA 463.A N GLY 466.A O no hydrogen 2.763 N/A GLY 466.A N ALA 463.A O no hydrogen 2.937 N/A LYS 468.A N SER 420.A O no hydrogen 3.196 N/A LEU 469.A N ALA 486.A O no hydrogen 2.898 N/A ASP 470.A N ARG 418.A O no hydrogen 2.785 N/A VAL 471.A N SER 484.A O no hydrogen 2.880 N/A GLN 472.A N SER 416.A O no hydrogen 2.565 N/A GLN 472.A NE2 THR 482.A OG1 no hydrogen 2.725 N/A VAL 473.A N GLU 481.A O no hydrogen 2.898 N/A THR 475.A OG1 LYS 479.A O no hydrogen 3.125 N/A GLY 478.A N THR 475.A O no hydrogen 2.984 N/A LYS 479.A N MET 477.A O no hydrogen 2.801 N/A GLU 481.A N VAL 473.A O no hydrogen 3.025 N/A LEU 483.A N VAL 471.A O no hydrogen 2.607 N/A SER 484.A OG TYR 407.A OH no hydrogen 2.557 N/A SER 484.A OG VAL 517.A O no hydrogen 2.695 N/A THR 485.A N GLY 516.A O no hydrogen 3.130 N/A THR 485.A OG1 ASP 470.A OD1 no hydrogen 2.931 N/A THR 485.A OG1 GLN 487.A OE1 no hydrogen 3.143 N/A ALA 486.A N LEU 469.A O no hydrogen 3.142 N/A GLN 487.A N HIS 514.A O no hydrogen 2.585 N/A GLN 487.A NE2 TYR 465.A OH no hydrogen 2.594 N/A LEU 488.A N PRO 467.A O no hydrogen 3.384 N/A ASP 489.A N VAL 512.A O no hydrogen 2.679 N/A LEU 491.A N ASP 489.A OD1 no hydrogen 3.032 N/A GLU 494.A N LEU 491.A O no hydrogen 2.669 N/A ARG 495.A N LEU 491.A O no hydrogen 3.379 N/A ARG 495.A NE THR 303.A O no hydrogen 2.716 N/A ARG 495.A NH1 LYS 427.A O no hydrogen 3.374 N/A ARG 495.A NH2 LYS 302.A O no hydrogen 3.066 N/A ARG 495.A NH2 THR 303.A O no hydrogen 3.163 N/A ARG 495.A NH2 ASP 308.A OD2 no hydrogen 3.544 N/A PHE 496.A N LEU 492.A O no hydrogen 2.903 N/A ASP 497.A N GLU 494.A O no hydrogen 2.835 N/A LEU 498.A N PRO 493.A O no hydrogen 2.897 N/A TYR 500.A N HIS 508.A O no hydrogen 3.046 N/A ILE 501.A N HIS 345.A O no hydrogen 2.755 N/A GLY 502.A N GLU 506.A O no hydrogen 2.953 N/A ASP 504.A N GLU 506.A OE2 no hydrogen 2.742 N/A GLY 505.A N GLY 502.A O no hydrogen 3.230 N/A HIS 508.A N TYR 500.A O no hydrogen 3.063 N/A HIS 508.A NE2 GLU 506.A OE1 no hydrogen 2.553 N/A ARG 509.A NH2 ASP 497.A OD1 no hydrogen 2.306 N/A VAL 511.A N VAL 387.A O no hydrogen 2.810 N/A VAL 512.A N ASP 489.A O no hydrogen 2.979 N/A ILE 513.A N ILE 385.A O no hydrogen 2.820 N/A HIS 514.A N GLN 487.A O no hydrogen 2.859 N/A HIS 514.A NE2 ASP 489.A OD2 no hydrogen 3.098 N/A ARG 515.A N SER 383.A O no hydrogen 3.120 N/A ARG 515.A NE TYR 287.A OH no hydrogen 3.232 N/A ARG 515.A NH1 GLU 282.A OE2 no hydrogen 3.085 N/A ARG 515.A NH1 ARG 515.A O no hydrogen 3.466 N/A ARG 515.A NH2 GLU 282.A OE2 no hydrogen 2.544 N/A ARG 515.A NH2 TYR 287.A OH no hydrogen 3.305 N/A GLY 516.A N THR 485.A O no hydrogen 2.773 N/A THR 520.A N SER 519.A OG no hydrogen 2.454 N/A MET 521.A N THR 379.A O no hydrogen 2.903 N/A ARG 523.A NE THR 482.A O no hydrogen 3.159 N/A ARG 523.A NH1 GLN 373.A O no hydrogen 2.705 N/A ARG 523.A NH2 THR 482.A O no hydrogen 3.210 N/A PHE 524.A N THR 520.A O no hydrogen 2.879 N/A VAL 525.A N MET 521.A O no hydrogen 3.001 N/A ALA 526.A N GLU 522.A O no hydrogen 2.869 N/A ALA 526.A N ARG 523.A O no hydrogen 2.917 N/A PHE 527.A N ARG 523.A O no hydrogen 2.842 N/A LEU 528.A N PHE 524.A O no hydrogen 2.908 N/A THR 529.A N VAL 525.A O no hydrogen 3.021 N/A THR 529.A OG1 VAL 525.A O no hydrogen 2.570 N/A GLU 530.A N ALA 526.A O no hydrogen 3.163 N/A GLU 531.A N PHE 527.A O no hydrogen 2.703 N/A THR 532.A N LEU 528.A O no hydrogen 2.976 N/A THR 532.A OG1 ALA 535.A O no hydrogen 2.741 N/A LYS 533.A N THR 529.A O no hydrogen 2.532 N/A LYS 533.A NZ GLU 530.A O no hydrogen 3.432 N/A GLY 534.A N THR 529.A O no hydrogen 3.325 N/A ALA 535.A N THR 532.A O no hydrogen 3.114 N/A THR 538.A OG1 GLU 635.A OE1 no hydrogen 2.482 N/A LEU 540.A N PRO 537.A O no hydrogen 2.737 N/A ALA 541.A N THR 538.A O no hydrogen 3.277 N/A LYS 543.A NZ SER 574.A OG no hydrogen 2.592 N/A GLN 544.A N ARG 572.A O no hydrogen 2.861 N/A GLN 544.A NE2 THR 538.A O no hydrogen 2.474 N/A VAL 545.A N ARG 572.A O no hydrogen 3.335 N/A GLN 546.A N TYR 596.A O no hydrogen 2.813 N/A ILE 547.A N SER 574.A O no hydrogen 3.132 N/A ILE 548.A N ILE 598.A O no hydrogen 2.640 N/A VAL 550.A N VAL 600.A O no hydrogen 2.785 N/A ASN 551.A N HIS 555.A ND1 no hydrogen 3.210 N/A HIS 555.A N ASN 551.A O no hydrogen 2.882 N/A HIS 555.A NE2 ASP 602.A OD1 no hydrogen 2.873 N/A TYR 558.A N ASP 557.A OD2 no hydrogen 3.180 N/A TYR 558.A OH GLN 609.A O no hydrogen 2.461 N/A ALA 559.A N HIS 555.A O no hydrogen 3.156 N/A ARG 560.A N TYR 556.A O no hydrogen 2.560 N/A ARG 560.A NE ASP 564.A OD2 no hydrogen 3.113 N/A ARG 560.A NH1 TYR 556.A OH no hydrogen 2.455 N/A GLN 561.A N ASP 557.A O no hydrogen 3.206 N/A LEU 562.A N TYR 558.A O no hydrogen 3.104 N/A GLN 563.A N ALA 559.A O no hydrogen 2.890 N/A ASP 564.A N ARG 560.A O no hydrogen 3.088 N/A GLU 565.A N GLN 561.A O no hydrogen 2.923 N/A LEU 566.A N LEU 562.A O no hydrogen 2.938 N/A LYS 567.A N GLN 563.A O no hydrogen 2.560 N/A LYS 567.A NZ VAL 573.A O no hydrogen 3.223 N/A SER 568.A N ASP 564.A O no hydrogen 2.830 N/A SER 568.A N GLU 565.A O no hydrogen 3.073 N/A SER 568.A OG GLU 565.A O no hydrogen 2.775 N/A GLN 569.A N LEU 566.A O no hydrogen 2.928 N/A GLY 570.A N LYS 567.A O no hydrogen 3.130 N/A VAL 571.A N LEU 566.A O no hydrogen 3.142 N/A ARG 572.A N GLN 544.A OE1 no hydrogen 2.901 N/A ARG 572.A NH1 TRP 539.A O no hydrogen 3.556 N/A ARG 572.A NH2 TRP 539.A O no hydrogen 3.119 N/A SER 574.A N VAL 545.A O no hydrogen 3.411 N/A SER 574.A OG GLN 546.A OE1 no hydrogen 2.978 N/A ASP 576.A N ILE 547.A O no hydrogen 2.997 N/A ARG 578.A N ASP 576.A OD2 no hydrogen 3.378 N/A ARG 578.A NE ASP 576.A OD2 no hydrogen 2.802 N/A ARG 578.A NH1 GLU 588.A OE1 no hydrogen 3.154 N/A ARG 578.A NH2 ASP 576.A OD1 no hydrogen 2.973 N/A LYS 585.A N LYS 581.A O no hydrogen 3.167 N/A LYS 585.A NZ ASP 576.A O no hydrogen 2.776 N/A LYS 585.A NZ ARG 578.A O no hydrogen 2.787 N/A ILE 586.A N MET 582.A O no hydrogen 2.814 N/A ARG 587.A N GLY 583.A O no hydrogen 2.803 N/A GLU 588.A N TYR 584.A O no hydrogen 2.849 N/A ALA 589.A N LYS 585.A O no hydrogen 3.140 N/A GLN 590.A N ILE 586.A O no hydrogen 2.757 N/A MET 591.A N ARG 587.A O no hydrogen 2.968 N/A GLN 592.A N GLU 588.A O no hydrogen 3.162 N/A GLN 592.A NE2 GLU 588.A OE2 no hydrogen 3.539 N/A LYS 593.A N GLN 590.A O no hydrogen 3.067 N/A LYS 593.A NZ LYS 533.A O no hydrogen 2.713 N/A ILE 594.A N ALA 589.A O no hydrogen 3.403 N/A TYR 596.A N GLN 544.A O no hydrogen 2.919 N/A TYR 596.A OH GLU 635.A OE2 no hydrogen 2.734 N/A GLN 597.A N ARG 613.A O no hydrogen 3.358 N/A ILE 598.A N GLN 546.A O no hydrogen 2.629 N/A VAL 599.A N ASN 611.A O no hydrogen 2.999 N/A VAL 600.A N ILE 548.A O no hydrogen 3.076 N/A GLY 601.A N GLU 604.A OE1 no hydrogen 2.712 N/A VAL 605.A N GLY 601.A O no hydrogen 2.889 N/A GLU 606.A N LYS 603.A O no hydrogen 2.699 N/A ASN 607.A N LYS 603.A O no hydrogen 2.873 N/A GLN 609.A N GLU 604.A O no hydrogen 2.937 N/A GLN 609.A NE2 ASN 607.A O no hydrogen 2.848 N/A VAL 610.A N VAL 623.A O no hydrogen 3.099 N/A ASN 611.A N VAL 599.A O no hydrogen 3.211 N/A VAL 612.A N GLU 621.A O no hydrogen 3.463 N/A ARG 613.A N GLN 597.A O no hydrogen 3.034 N/A ARG 613.A NH2 GLY 616.A O no hydrogen 3.008 N/A TYR 615.A N PRO 595.A O no hydrogen 2.989 N/A GLN 620.A N VAL 612.A O no hydrogen 2.663 N/A GLN 620.A NE2 SER 617.A OG no hydrogen 2.653 N/A GLN 620.A NE2 GLN 618.A O no hydrogen 2.606 N/A GLU 621.A N ASP 619.A O no hydrogen 2.181 N/A THR 622.A OG1 GLN 609.A OE1 no hydrogen 3.567 N/A VAL 623.A N VAL 610.A O no hydrogen 3.035 N/A LYS 625.A N ASN 608.A O no hydrogen 2.998 N/A LYS 625.A NZ GLU 565.A OE1 no hydrogen 2.945 N/A PHE 628.A N GLU 624.A O no hydrogen 3.129 N/A ILE 629.A N LYS 625.A O no hydrogen 2.990 N/A TRP 630.A N ASP 626.A O no hydrogen 2.697 N/A ASN 631.A N GLU 627.A O no hydrogen 2.642 N/A LEU 632.A N PHE 628.A O no hydrogen 2.820 N/A VAL 633.A N ILE 629.A O no hydrogen 3.143 N/A ASP 634.A N TRP 630.A O no hydrogen 3.014 N/A GLU 635.A N ASN 631.A O no hydrogen 2.913 N/A ILE 636.A N LEU 632.A O no hydrogen 2.949 N/A ARG 637.A N VAL 633.A O no hydrogen 2.859 N/A ARG 637.A NH2 ASP 634.A OD2 no hydrogen 2.496 N/A LEU 638.A N ASP 634.A O no hydrogen 2.783 N/A LYS 639.A N ILE 636.A O no hydrogen 2.801 N/A LYS 640.A N GLU 635.A O no hydrogen 3.154 N/A HIS 641.A NE2 ASP 409.A O no hydrogen 3.300 N/A