Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fex_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 19.A NZ ASP 22.A OD2 no hydrogen 3.339 N/A GLU 25.A N ASP 22.A OD1 no hydrogen 3.002 N/A THR 26.A N ALA 23.A O no hydrogen 2.985 N/A THR 26.A OG1 ASP 22.A O no hydrogen 2.738 N/A GLU 27.A N ALA 23.A O no hydrogen 2.694 N/A HIS 29.A N THR 26.A O no hydrogen 2.788 N/A LEU 30.A N THR 26.A O no hydrogen 2.823 N/A SER 32.A N ASP 28.A O no hydrogen 3.131 N/A LEU 33.A N HIS 29.A O no hydrogen 3.215 N/A ILE 34.A N LEU 30.A O no hydrogen 2.947 N/A CYS 35.A N SER 32.A O no hydrogen 3.181 N/A CYS 35.A SG GLU 31.A O no hydrogen 3.126 N/A LYS 36.A N SER 32.A O no hydrogen 2.654 N/A VAL 37.A N LEU 33.A O no hydrogen 3.200 N/A LEU 46.A N LEU 42.A O no hydrogen 2.875 N/A GLY 48.A N SER 44.A O no hydrogen 3.116 N/A LEU 49.A N ASN 45.A O no hydrogen 2.731 N/A ALA 50.A N LEU 46.A O no hydrogen 2.867 N/A VAL 52.A N GLY 48.A O no hydrogen 3.180 N/A LEU 53.A N LEU 49.A O no hydrogen 3.059 N/A ALA 55.A N GLY 51.A O no hydrogen 2.856 N/A ASP 56.A N LEU 53.A O no hydrogen 2.987 N/A LEU 57.A N GLU 54.A O no hydrogen 3.019 N/A TYR 60.A N ASP 56.A O no hydrogen 3.035 N/A ILE 64.A N TYR 60.A O no hydrogen 2.887 N/A ARG 66.A N LYS 63.A O no hydrogen 2.850 N/A LEU 67.A N LYS 63.A O no hydrogen 3.326 N/A LEU 68.A N ILE 64.A O no hydrogen 3.193 N/A CYS 69.A N LEU 65.A O no hydrogen 3.040 N/A CYS 69.A SG LEU 65.A O no hydrogen 3.475 N/A THR 70.A N ARG 66.A O no hydrogen 3.040 N/A THR 70.A OG1 ARG 66.A O no hydrogen 2.935 N/A VAL 71.A N LEU 67.A O no hydrogen 2.681 N/A ALA 72.A N LEU 68.A O no hydrogen 2.926 N/A ALA 72.A N CYS 69.A O no hydrogen 3.149 N/A ARG 73.A N CYS 69.A O no hydrogen 3.180 N/A ARG 73.A N THR 70.A O no hydrogen 2.901 N/A ARG 73.A NH1 GLU 119.A OE1 no hydrogen 3.349 N/A LEU 74.A N THR 70.A O no hydrogen 2.920 N/A LEU 75.A N VAL 71.A O no hydrogen 3.148 N/A GLU 77.A N GLU 77.A OE1 no hydrogen 2.705 N/A LYS 78.A N LEU 75.A O no hydrogen 3.225 N/A LYS 78.A NZ CYS 35.A O no hydrogen 3.407 N/A LYS 78.A NZ VAL 37.A O no hydrogen 3.538 N/A LEU 79.A N PRO 76.A O no hydrogen 3.194 N/A THR 80.A OG1 LEU 244.A O no hydrogen 2.960 N/A TYR 82.A N LEU 79.A O no hydrogen 2.950 N/A TYR 82.A OH ILE 34.A O no hydrogen 3.028 N/A TYR 82.A OH CYS 35.A O no hydrogen 3.183 N/A THR 83.A N LEU 79.A O no hydrogen 2.910 N/A THR 83.A OG1 THR 80.A O no hydrogen 2.633 N/A THR 83.A OG1 ASP 129.A OD2 no hydrogen 2.971 N/A THR 84.A N THR 80.A O no hydrogen 3.016 N/A THR 84.A OG1 THR 80.A O no hydrogen 3.455 N/A VAL 86.A N TYR 82.A O no hydrogen 3.041 N/A GLY 87.A N THR 83.A O no hydrogen 3.206 N/A LEU 88.A N THR 84.A O no hydrogen 2.842 N/A LEU 89.A N LEU 85.A O no hydrogen 3.413 N/A ALA 91.A N LEU 88.A O no hydrogen 2.858 N/A ARG 92.A N LEU 88.A O no hydrogen 3.004 N/A ASN 93.A N LEU 89.A O no hydrogen 3.154 N/A TYR 94.A OH GLN 259.A O no hydrogen 2.687 N/A PHE 96.A N ASN 93.A OD1 no hydrogen 3.212 N/A GLY 98.A N TYR 94.A O no hydrogen 3.301 N/A GLU 99.A N ASN 95.A O no hydrogen 3.195 N/A PHE 100.A N GLY 97.A O no hydrogen 3.204 N/A VAL 101.A N GLY 97.A O no hydrogen 2.982 N/A GLU 102.A N GLY 98.A O no hydrogen 3.165 N/A MET 104.A N PHE 100.A O no hydrogen 2.727 N/A ILE 105.A N VAL 101.A O no hydrogen 3.038 N/A ARG 106.A N GLU 102.A O no hydrogen 3.403 N/A GLN 107.A N ALA 103.A O no hydrogen 2.785 N/A LEU 108.A N MET 104.A O no hydrogen 2.691 N/A LYS 109.A N ILE 105.A O no hydrogen 3.103 N/A GLU 110.A N ARG 106.A O no hydrogen 3.298 N/A GLU 110.A N GLN 107.A O no hydrogen 3.242 N/A SER 111.A N GLN 107.A O no hydrogen 3.323 N/A LEU 112.A N LEU 108.A O no hydrogen 2.999 N/A ASN 115.A ND2 ASP 273.A O no hydrogen 2.876 N/A ASN 116.A N SER 111.A O no hydrogen 2.841 N/A ALA 120.A N ASN 116.A O no hydrogen 3.015 N/A LEU 123.A N GLU 119.A O no hydrogen 3.328 N/A VAL 124.A N ALA 120.A O no hydrogen 3.081 N/A ARG 125.A N VAL 121.A O no hydrogen 2.836 N/A ARG 125.A NH2 GLU 310.A OE2 no hydrogen 2.784 N/A PHE 126.A N LEU 123.A O no hydrogen 2.976 N/A LEU 127.A N LEU 123.A O no hydrogen 3.022 N/A SER 128.A N VAL 124.A O no hydrogen 3.285 N/A SER 128.A OG VAL 124.A O no hydrogen 3.007 N/A ASP 129.A N ARG 125.A O no hydrogen 3.396 N/A LEU 130.A N PHE 126.A O no hydrogen 3.080 N/A LEU 130.A N LEU 127.A O no hydrogen 3.279 N/A VAL 131.A N SER 128.A O no hydrogen 2.848 N/A ASN 132.A N ASP 129.A O no hydrogen 3.038 N/A ASN 132.A ND2 ASP 129.A OD1 no hydrogen 2.834 N/A ASN 132.A ND2 TRP 173.A O no hydrogen 2.978 N/A CYS 133.A N LEU 130.A O no hydrogen 3.316 N/A CYS 133.A SG THR 83.A O no hydrogen 3.086 N/A CYS 133.A SG ASP 129.A O no hydrogen 3.629 N/A HIS 134.A N VAL 131.A O no hydrogen 3.330 N/A VAL 135.A N LEU 130.A O no hydrogen 3.108 N/A ALA 137.A N HIS 260.A O no hydrogen 2.733 N/A SER 140.A OG ALA 137.A O no hydrogen 2.959 N/A SER 140.A OG ASN 261.A OD1 no hydrogen 3.295 N/A MET 141.A N ALA 137.A O no hydrogen 3.268 N/A MET 141.A N ALA 138.A O no hydrogen 3.194 N/A VAL 142.A N ALA 138.A O no hydrogen 3.112 N/A ALA 143.A N PRO 139.A O no hydrogen 2.756 N/A PHE 145.A N MET 141.A O no hydrogen 3.123 N/A GLU 146.A N ALA 143.A O no hydrogen 3.311 N/A VAL 151.A N PHE 148.A O no hydrogen 3.376 N/A THR 152.A N VAL 149.A O no hydrogen 3.090 N/A THR 152.A OG1 VAL 149.A O no hydrogen 2.901 N/A THR 152.A OG1 GLN 153.A OE1 no hydrogen 2.732 N/A GLN 153.A N SER 150.A O no hydrogen 2.973 N/A GLU 154.A N VAL 151.A O no hydrogen 2.854 N/A GLN 157.A NE2 GLN 201.A O no hydrogen 3.304 N/A ARG 159.A NE GLU 154.A OE1 no hydrogen 3.012 N/A ARG 159.A NH1 PRO 268.A O no hydrogen 3.312 N/A ARG 159.A NH1 TYR 276.A OH no hydrogen 2.670 N/A ARG 159.A NH2 GLU 154.A OE2 no hydrogen 3.256 N/A ARG 159.A NH2 PRO 268.A O no hydrogen 3.203 N/A ARG 160.A NH1 THR 152.A O no hydrogen 3.486 N/A ARG 160.A NH1 GLU 154.A O no hydrogen 3.489 N/A ASP 161.A N GLN 157.A O no hydrogen 2.844 N/A TRP 162.A N VAL 158.A O no hydrogen 3.179 N/A TRP 162.A N ARG 159.A O no hydrogen 3.140 N/A TRP 162.A NE1 TYR 117.A O no hydrogen 2.812 N/A VAL 164.A N ARG 160.A O no hydrogen 3.197 N/A TYR 165.A N ASP 161.A O no hydrogen 3.018 N/A ALA 166.A N TRP 162.A O no hydrogen 2.600 N/A PHE 167.A N TYR 163.A O no hydrogen 3.036 N/A LEU 168.A N VAL 164.A O no hydrogen 3.068 N/A SER 169.A N TYR 165.A O no hydrogen 2.661 N/A SER 169.A OG TYR 165.A O no hydrogen 2.652 N/A SER 170.A N PHE 167.A O no hydrogen 3.072 N/A SER 170.A OG ALA 166.A O no hydrogen 3.028 N/A TRP 173.A N SER 170.A O no hydrogen 2.759 N/A VAL 174.A N SER 170.A O no hydrogen 3.073 N/A LEU 178.A N VAL 174.A O no hydrogen 3.168 N/A TYR 179.A N GLY 175.A O no hydrogen 3.062 N/A TYR 179.A OH ASP 187.A OD1 no hydrogen 3.006 N/A LYS 182.A N LEU 178.A O no hydrogen 3.299 N/A LYS 182.A NZ LYS 181.A O no hydrogen 3.194 N/A MET 186.A N LYS 182.A O no hydrogen 3.015 N/A ILE 189.A N GLU 185.A O no hydrogen 2.774 N/A PHE 190.A N MET 186.A O no hydrogen 2.835 N/A ALA 191.A N ASP 187.A O no hydrogen 2.835 N/A ASN 192.A N ILE 189.A O no hydrogen 2.849 N/A THR 193.A N ILE 189.A O no hydrogen 3.008 N/A GLU 194.A N PHE 190.A O no hydrogen 2.736 N/A SER 195.A OG ASN 192.A O no hydrogen 2.756 N/A TYR 196.A N ASN 192.A O no hydrogen 3.242 N/A TYR 196.A OH ASP 161.A OD1 no hydrogen 2.543 N/A LEU 197.A N THR 193.A O no hydrogen 3.178 N/A ARG 199.A N SER 195.A O no hydrogen 2.873 N/A ARG 199.A NH1 GLN 153.A OE1 no hydrogen 3.394 N/A ARG 200.A N TYR 196.A O no hydrogen 2.793 N/A ARG 200.A NE ASP 161.A OD1 no hydrogen 2.916 N/A ARG 200.A NH2 ASP 161.A OD2 no hydrogen 2.963 N/A ARG 200.A NH2 GLU 221.A OE2 no hydrogen 3.127 N/A GLN 201.A N GLN 157.A OE1 no hydrogen 3.506 N/A LYS 202.A NZ ASP 224.A OD1 no hydrogen 3.510 N/A LYS 202.A NZ ASP 224.A OD2 no hydrogen 2.791 N/A MET 207.A N HIS 204.A O no hydrogen 3.140 N/A LEU 208.A N HIS 204.A O no hydrogen 3.135 N/A LEU 208.A N VAL 205.A O no hydrogen 3.027 N/A GLN 209.A N VAL 205.A O no hydrogen 2.888 N/A GLN 209.A NE2 GLN 219.A O no hydrogen 3.180 N/A THR 212.A N THR 398.A O no hydrogen 3.048 N/A THR 212.A OG1 THR 398.A O no hydrogen 3.370 N/A HIS 217.A NE2 ASP 287.A OD1 no hydrogen 2.922 N/A GLN 219.A NE2 ARG 284.A O no hydrogen 3.070 N/A TYR 222.A N ARG 280.A O no hydrogen 3.124 N/A LEU 223.A N GLU 221.A OE1 no hydrogen 2.708 N/A CYS 225.A N GLU 221.A O no hydrogen 3.094 N/A TRP 227.A N LEU 223.A O no hydrogen 2.741 N/A ALA 228.A N ASP 224.A O no hydrogen 3.424 N/A GLN 229.A N CYS 225.A O no hydrogen 3.159 N/A GLN 229.A NE2 SER 300.A O no hydrogen 3.164 N/A ILE 230.A N LEU 226.A O no hydrogen 2.951 N/A GLN 231.A N TRP 227.A O no hydrogen 2.957 N/A LYS 232.A N ALA 228.A O no hydrogen 2.996 N/A LEU 233.A N GLN 229.A O no hydrogen 3.043 N/A LYS 234.A N ILE 230.A O no hydrogen 2.878 N/A LYS 234.A NZ ASP 187.A OD2 no hydrogen 3.041 N/A LYS 235.A N GLN 231.A O no hydrogen 2.941 N/A ASP 236.A N LYS 232.A O no hydrogen 3.167 N/A ARG 237.A N LYS 234.A O no hydrogen 3.408 N/A TRP 238.A N LEU 233.A O no hydrogen 2.980 N/A ARG 241.A N GLU 304.A OE2 no hydrogen 3.206 N/A HIS 242.A NE2 TYR 333.A OH no hydrogen 3.119 N/A ILE 243.A N GLU 240.A OE1 no hydrogen 2.921 N/A ARG 245.A NH1 TRP 173.A O no hydrogen 3.424 N/A ARG 245.A NH1 TYR 247.A OH no hydrogen 2.813 N/A ARG 245.A NH2 PRO 172.A O no hydrogen 3.225 N/A TYR 247.A OH ASP 129.A OD1 no hydrogen 2.877 N/A LEU 248.A N ARG 245.A O no hydrogen 3.357 N/A ALA 249.A N PRO 246.A O no hydrogen 2.894 N/A PHE 250.A N TYR 247.A O no hydrogen 3.109 N/A LEU 254.A N PHE 250.A O no hydrogen 3.096 N/A CYS 255.A N ASP 251.A O no hydrogen 3.224 N/A CYS 255.A SG ASP 251.A O no hydrogen 3.233 N/A CYS 255.A SG ASP 251.A OD1 no hydrogen 3.340 N/A HIS 260.A N VAL 135.A O no hydrogen 2.952 N/A LEU 262.A N SER 140.A OG no hydrogen 3.146 N/A HIS 270.A ND1 SER 274.A OG no hydrogen 3.083 N/A HIS 270.A ND1 TYR 276.A OH no hydrogen 2.877 N/A ASP 273.A N THR 271.A OG1 no hydrogen 3.274 N/A SER 274.A N THR 271.A O no hydrogen 3.361 N/A SER 274.A OG HIS 270.A ND1 no hydrogen 3.083 N/A SER 274.A OG THR 271.A O no hydrogen 2.782 N/A SER 274.A OG TYR 276.A OH no hydrogen 3.025 N/A TYR 276.A OH HIS 270.A ND1 no hydrogen 2.877 N/A TYR 276.A OH SER 274.A OG no hydrogen 3.025 N/A ARG 284.A N GLN 219.A OE1 no hydrogen 2.938 N/A ARG 284.A NH1 GLU 309.A OE2 no hydrogen 2.736 N/A ARG 284.A NH1 GLU 347.A OE2 no hydrogen 2.928 N/A ARG 284.A NH2 GLU 309.A OE2 no hydrogen 3.330 N/A MET 285.A N GLU 347.A OE2 no hydrogen 2.867 N/A PHE 286.A N GLU 347.A OE2 no hydrogen 3.300 N/A ASP 287.A N ASP 290.A OD2 no hydrogen 3.302 N/A THR 289.A N ASP 287.A OD2 no hydrogen 2.770 N/A THR 289.A OG1 ASP 287.A OD2 no hydrogen 2.527 N/A ASP 290.A N ASP 287.A O no hydrogen 3.060 N/A ASP 290.A N ASP 287.A OD2 no hydrogen 3.387 N/A ASP 291.A N TYR 288.A O no hydrogen 3.115 N/A GLY 294.A N ASP 291.A OD1 no hydrogen 2.998 N/A SER 302.A N GLY 299.A O no hydrogen 2.976 N/A SER 302.A OG GLY 299.A O no hydrogen 2.571 N/A ARG 305.A N SER 302.A O no hydrogen 2.833 N/A ARG 305.A N SER 302.A OG no hydrogen 3.313 N/A ARG 305.A NH1 PRO 298.A O no hydrogen 2.787 N/A ARG 305.A NH2 PHE 286.A O no hydrogen 3.265 N/A ARG 305.A NH2 GLU 347.A OE1 no hydrogen 2.756 N/A VAL 307.A N GLU 304.A O no hydrogen 2.977 N/A ILE 308.A N GLU 304.A O no hydrogen 2.922 N/A GLU 309.A N ARG 305.A O no hydrogen 3.424 N/A ASN 311.A N VAL 307.A O no hydrogen 2.803 N/A ASN 311.A ND2 TYR 333.A OH no hydrogen 2.967 N/A LEU 312.A N ILE 308.A O no hydrogen 3.010 N/A HIS 313.A N GLU 309.A O no hydrogen 2.710 N/A HIS 313.A ND1 GLU 309.A O no hydrogen 2.834 N/A CYS 314.A N GLU 310.A O no hydrogen 3.012 N/A CYS 314.A SG TYR 122.A OH no hydrogen 3.313 N/A CYS 314.A SG GLU 310.A O no hydrogen 3.383 N/A ILE 315.A N ASN 311.A O no hydrogen 2.851 N/A ILE 316.A N LEU 312.A O no hydrogen 3.171 N/A LYS 317.A N HIS 313.A O no hydrogen 3.120 N/A LYS 317.A NZ LEU 74.A O no hydrogen 3.555 N/A SER 318.A N CYS 314.A O no hydrogen 2.898 N/A SER 318.A OG LEU 74.A O no hydrogen 3.484 N/A SER 318.A OG GLU 77.A OE2 no hydrogen 2.917 N/A SER 318.A OG CYS 314.A O no hydrogen 3.076 N/A HIS 319.A N ILE 316.A O no hydrogen 3.188 N/A HIS 319.A ND1 ILE 315.A O no hydrogen 3.170 N/A GLU 322.A N HIS 319.A O no hydrogen 3.232 N/A LYS 324.A NZ GLU 372.A OE2 no hydrogen 3.123 N/A THR 325.A N GLU 322.A O no hydrogen 3.211 N/A CYS 326.A N GLU 322.A O no hydrogen 2.781 N/A ALA 327.A N ARG 323.A O no hydrogen 3.057 N/A GLN 329.A N THR 325.A O no hydrogen 3.142 N/A LEU 330.A N CYS 326.A O no hydrogen 2.893 N/A VAL 331.A N ALA 327.A O no hydrogen 2.936 N/A SER 332.A N ALA 328.A O no hydrogen 3.124 N/A SER 332.A OG ALA 328.A O no hydrogen 2.983 N/A TYR 333.A OH HIS 242.A NE2 no hydrogen 3.119 N/A LYS 336.A NZ GLU 240.A O no hydrogen 2.907 N/A LYS 336.A NZ GLU 240.A OE2 no hydrogen 2.927 N/A TYR 343.A OH ASP 290.A O no hydrogen 3.362 N/A TYR 343.A OH GLN 387.A OE1 no hydrogen 2.876 N/A HIS 344.A N PRO 340.A O no hydrogen 3.288 N/A HIS 344.A N LEU 341.A O no hydrogen 3.214 N/A HIS 344.A ND1 PRO 340.A O no hydrogen 2.791 N/A ILE 345.A N LEU 341.A O no hydrogen 2.659 N/A VAL 346.A N ASN 342.A O no hydrogen 3.061 N/A GLU 347.A N TYR 343.A O no hydrogen 3.411 N/A VAL 348.A N HIS 344.A O no hydrogen 2.758 N/A ILE 349.A N ILE 345.A O no hydrogen 3.343 N/A PHE 350.A N VAL 346.A O no hydrogen 3.034 N/A ALA 351.A N GLU 347.A O no hydrogen 3.187 N/A GLU 352.A N VAL 348.A O no hydrogen 3.186 N/A LEU 353.A N ILE 349.A O no hydrogen 3.032 N/A PHE 354.A N PHE 350.A O no hydrogen 2.905 N/A GLN 355.A N GLU 352.A O no hydrogen 2.995 N/A MET 365.A N ILE 362.A O no hydrogen 3.018 N/A TYR 366.A N ASP 363.A O no hydrogen 3.403 N/A TYR 366.A OH GLU 352.A OE1 no hydrogen 3.017 N/A THR 368.A OG1 MET 365.A O no hydrogen 2.993 N/A LEU 369.A N MET 365.A O no hydrogen 3.288 N/A LEU 370.A N TYR 366.A O no hydrogen 3.114 N/A GLU 372.A N THR 368.A O no hydrogen 2.753 N/A LEU 373.A N LEU 369.A O no hydrogen 3.021 N/A CYS 374.A SG LEU 370.A O no hydrogen 3.143 N/A LYS 375.A N GLU 372.A O no hydrogen 3.220 N/A LEU 376.A N GLU 372.A O no hydrogen 3.109 N/A GLN 377.A N LEU 373.A O no hydrogen 2.789 N/A GLN 377.A NE2 SER 380.A OG no hydrogen 2.775 N/A LEU 381.A N GLN 377.A O no hydrogen 3.185 N/A GLN 383.A N GLN 383.A OE1 no hydrogen 2.570 N/A LEU 385.A N LEU 381.A O no hydrogen 2.995 N/A ALA 386.A N PRO 382.A O no hydrogen 2.817 N/A GLN 387.A N GLN 383.A O no hydrogen 3.023 N/A GLN 387.A NE2 ASP 290.A O no hydrogen 3.343 N/A ALA 388.A N VAL 384.A O no hydrogen 2.855 N/A THR 389.A N LEU 385.A O no hydrogen 3.028 N/A THR 389.A OG1 LEU 385.A O no hydrogen 2.872 N/A GLU 390.A N ALA 386.A O no hydrogen 2.955 N/A MET 391.A N GLN 387.A O no hydrogen 2.802 N/A LEU 392.A N ALA 388.A O no hydrogen 3.117 N/A TYR 393.A N THR 389.A O no hydrogen 2.901 N/A TYR 393.A OH ASP 429.A OD2 no hydrogen 2.925 N/A MET 394.A N GLU 390.A O no hydrogen 3.178 N/A ARG 395.A N LEU 392.A O no hydrogen 3.028 N/A ARG 395.A NH1 MET 285.A O no hydrogen 3.373 N/A LEU 396.A N TYR 393.A O no hydrogen 2.987 N/A MET 399.A N LEU 396.A O no hydrogen 3.242 N/A ASN 400.A ND2 GLN 714.A OE1 no hydrogen 3.508 N/A THR 401.A N GLU 711.A OE1 no hydrogen 3.070 N/A THR 401.A OG1 ASN 708.A OD1 no hydrogen 3.108 N/A THR 401.A OG1 GLU 711.A OE1 no hydrogen 2.633 N/A THR 402.A N ASN 400.A OD1 no hydrogen 3.071 N/A THR 402.A OG1 ASN 400.A OD1 no hydrogen 3.410 N/A CYS 403.A SG PHE 354.A O no hydrogen 3.320 N/A VAL 404.A N ASN 400.A O no hydrogen 2.707 N/A ASP 405.A N THR 401.A O no hydrogen 3.014 N/A ASP 405.A N THR 402.A O no hydrogen 3.123 N/A PHE 407.A N CYS 403.A O no hydrogen 3.087 N/A ILE 408.A N VAL 404.A O no hydrogen 2.952 N/A ASN 409.A N ASP 405.A O no hydrogen 2.819 N/A TRP 410.A N ARG 406.A O no hydrogen 2.893 N/A PHE 411.A N PHE 407.A O no hydrogen 3.080 N/A SER 412.A N ILE 408.A O no hydrogen 3.246 N/A SER 412.A OG ILE 408.A O no hydrogen 2.955 N/A SER 412.A OG ASN 409.A O no hydrogen 2.859 N/A HIS 413.A N ASN 409.A O no hydrogen 2.982 N/A HIS 414.A N PHE 411.A O no hydrogen 3.102 N/A LEU 415.A N PHE 411.A O no hydrogen 2.918 N/A SER 416.A N SER 412.A O no hydrogen 3.044 N/A SER 416.A OG SER 412.A O no hydrogen 3.401 N/A SER 416.A OG HIS 413.A O no hydrogen 2.736 N/A ASN 417.A N HIS 414.A O no hydrogen 3.002 N/A PHE 420.A N LEU 415.A O no hydrogen 2.768 N/A ARG 421.A N PHE 418.A O no hydrogen 2.982 N/A ASP 426.A N SER 423.A O no hydrogen 3.382 N/A TRP 427.A N TRP 424.A O no hydrogen 2.805 N/A SER 428.A OG GLU 425.A O no hydrogen 2.767 N/A CYS 430.A SG TRP 427.A O no hydrogen 3.073 N/A LEU 431.A N SER 428.A O no hydrogen 2.960 N/A GLN 433.A NE2 ASP 429.A O no hydrogen 2.961 N/A GLU 436.A N ASP 434.A OD1 no hydrogen 3.404 N/A SER 437.A N ASP 434.A O no hydrogen 2.869 N/A SER 437.A OG ASP 434.A O no hydrogen 2.511 N/A LYS 439.A NZ ASP 429.A OD1 no hydrogen 2.853 N/A LYS 441.A N SER 437.A O no hydrogen 3.237 N/A LYS 441.A NZ GLU 445.A OE2 no hydrogen 3.534 N/A LYS 441.A NZ THR 614.A O no hydrogen 2.867 N/A PHE 442.A N PRO 438.A O no hydrogen 2.733 N/A VAL 443.A N LYS 439.A O no hydrogen 3.059 N/A ARG 444.A N PRO 440.A O no hydrogen 3.292 N/A ARG 444.A NH1 PRO 435.A O no hydrogen 2.741 N/A GLU 445.A N LYS 441.A O no hydrogen 2.908 N/A VAL 446.A N PHE 442.A O no hydrogen 2.810 N/A LEU 447.A N VAL 443.A O no hydrogen 2.900 N/A GLU 448.A N ARG 444.A O no hydrogen 2.763 N/A LYS 449.A N GLU 445.A O no hydrogen 3.192 N/A LYS 449.A NZ GLU 620.A OE1 no hydrogen 3.192 N/A LYS 449.A NZ GLU 620.A OE2 no hydrogen 3.108 N/A CYS 450.A N VAL 446.A O no hydrogen 2.967 N/A CYS 450.A SG VAL 446.A O no hydrogen 3.609 N/A MET 451.A N LEU 447.A O no hydrogen 3.370 N/A ARG 452.A N GLU 448.A O no hydrogen 3.232 N/A LEU 453.A N LYS 449.A O no hydrogen 2.964 N/A SER 454.A N CYS 450.A O no hydrogen 2.953 N/A SER 454.A OG CYS 450.A O no hydrogen 2.643 N/A SER 454.A OG TYR 455.A O no hydrogen 3.544 N/A ILE 459.A N HIS 456.A O no hydrogen 2.880 N/A LEU 460.A N HIS 456.A O no hydrogen 3.176 N/A ASP 461.A N GLN 457.A O no hydrogen 3.323 N/A VAL 463.A N ILE 459.A O no hydrogen 3.344 N/A PHE 467.A N PRO 464.A O no hydrogen 2.736 N/A SER 468.A OG PRO 464.A O no hydrogen 3.552 N/A LEU 470.A N PHE 467.A O no hydrogen 2.846 N/A CYS 471.A SG PHE 467.A O no hydrogen 3.705 N/A THR 476.A N ASN 474.A O no hydrogen 2.716 N/A ILE 478.A N VAL 574.A O no hydrogen 3.022 N/A TYR 479.A OH THR 531.A OG1 no hydrogen 3.000 N/A LYS 480.A N GLN 530.A OE1 no hydrogen 3.100 N/A LYS 480.A NZ GLU 526.A OE2 no hydrogen 2.789 N/A GLY 482.A N TYR 479.A O no hydrogen 2.883 N/A LEU 489.A N SER 486.A O no hydrogen 2.943 N/A ALA 495.A N GLY 491.A O no hydrogen 3.328 N/A LEU 496.A N HIS 492.A O no hydrogen 3.279 N/A LEU 496.A N SER 493.A O no hydrogen 3.061 N/A CYS 497.A N SER 493.A O no hydrogen 3.084 N/A CYS 497.A SG SER 493.A O no hydrogen 3.125 N/A LEU 498.A N VAL 494.A O no hydrogen 2.993 N/A ALA 499.A N ALA 495.A O no hydrogen 3.145 N/A VAL 500.A N CYS 497.A O no hydrogen 3.149 N/A ALA 501.A N CYS 497.A O no hydrogen 3.130 N/A PHE 502.A N LEU 498.A O no hydrogen 2.999 N/A LYS 503.A N ALA 499.A O no hydrogen 3.212 N/A SER 504.A OG VAL 500.A O no hydrogen 2.790 N/A SER 504.A OG ALA 501.A O no hydrogen 3.447 N/A LYS 505.A N PHE 502.A O no hydrogen 3.127 N/A ASN 508.A ND2 LYS 549.A O no hydrogen 3.530 N/A GLU 510.A N THR 507.A O no hydrogen 3.140 N/A ILE 511.A N THR 507.A O no hydrogen 3.127 N/A PHE 512.A N ASN 508.A O no hydrogen 3.305 N/A SER 513.A OG ASP 509.A O no hydrogen 3.248 N/A ILE 514.A N GLU 510.A O no hydrogen 3.257 N/A LEU 515.A N ILE 511.A O no hydrogen 3.170 N/A LYS 516.A N SER 513.A O no hydrogen 3.235 N/A ASN 521.A ND2 VAL 518.A O no hydrogen 3.294 N/A ILE 525.A N PRO 522.A O no hydrogen 2.976 N/A GLU 526.A N PRO 522.A O no hydrogen 2.923 N/A PHE 528.A N LYS 524.A O no hydrogen 3.455 N/A VAL 529.A N ILE 525.A O no hydrogen 3.071 N/A THR 531.A N VAL 527.A O no hydrogen 2.798 N/A THR 531.A OG1 TYR 479.A OH no hydrogen 3.000 N/A THR 531.A OG1 VAL 527.A O no hydrogen 2.654 N/A LEU 532.A N PHE 528.A O no hydrogen 2.869 N/A LEU 533.A N VAL 529.A O no hydrogen 3.191 N/A LEU 535.A N THR 531.A O no hydrogen 3.137 N/A ALA 536.A N LEU 532.A O no hydrogen 3.023 N/A SER 539.A OG SER 541.A OG no hydrogen 3.054 N/A SER 539.A OG HIS 542.A ND1 no hydrogen 2.759 N/A SER 541.A OG SER 539.A OG no hydrogen 3.054 N/A HIS 542.A ND1 SER 539.A OG no hydrogen 2.759 N/A SER 543.A OG ALA 536.A O no hydrogen 2.840 N/A SER 543.A OG SER 539.A O no hydrogen 3.206 N/A PHE 544.A N PHE 540.A O no hydrogen 2.921 N/A SER 545.A N SER 541.A O no hydrogen 2.806 N/A SER 545.A OG SER 541.A O no hydrogen 2.803 N/A ALA 546.A N HIS 542.A O no hydrogen 2.949 N/A LEU 547.A N SER 543.A O no hydrogen 3.006 N/A ALA 548.A N PHE 544.A O no hydrogen 3.135 N/A LYS 549.A N SER 545.A O no hydrogen 2.840 N/A PHE 550.A N ALA 546.A O no hydrogen 3.218 N/A HIS 551.A N ALA 548.A O no hydrogen 2.880 N/A HIS 551.A NE2 THR 592.A O no hydrogen 2.801 N/A PHE 554.A N PHE 550.A O no hydrogen 3.321 N/A LYS 555.A N HIS 551.A O no hydrogen 2.922 N/A LYS 555.A NZ GLN 593.A O no hydrogen 2.862 N/A THR 556.A N GLU 552.A O no hydrogen 3.050 N/A THR 556.A OG1 GLU 552.A O no hydrogen 2.718 N/A LEU 557.A N VAL 553.A O no hydrogen 3.234 N/A ALA 558.A N PHE 554.A O no hydrogen 2.684 N/A GLY 563.A N SER 560.A OG no hydrogen 3.351 N/A LYS 564.A N SER 560.A O no hydrogen 2.724 N/A LYS 564.A NZ ALA 558.A O no hydrogen 2.764 N/A LYS 564.A NZ GLU 559.A O no hydrogen 2.739 N/A LEU 565.A N ASP 561.A O no hydrogen 3.085 N/A HIS 566.A N GLU 562.A O no hydrogen 3.311 N/A VAL 567.A N GLY 563.A O no hydrogen 3.220 N/A LEU 568.A N LYS 564.A O no hydrogen 3.462 N/A ARG 569.A N LEU 565.A O no hydrogen 2.843 N/A ARG 569.A NH2 HIS 566.A ND1 no hydrogen 2.990 N/A VAL 570.A N HIS 566.A O no hydrogen 2.989 N/A MET 571.A N VAL 567.A O no hydrogen 2.840 N/A PHE 572.A N LEU 568.A O no hydrogen 2.791 N/A GLU 573.A N ARG 569.A O no hydrogen 3.136 N/A VAL 574.A N VAL 570.A O no hydrogen 3.213 N/A ASN 577.A ND2 ASN 474.A O no hydrogen 3.548 N/A HIS 578.A N TRP 575.A O no hydrogen 3.192 N/A MET 581.A N HIS 578.A O no hydrogen 2.904 N/A ILE 582.A N PRO 579.A O no hydrogen 3.077 N/A ALA 583.A N PRO 579.A O no hydrogen 3.147 N/A VAL 584.A N GLN 580.A O no hydrogen 3.378 N/A LEU 585.A N MET 581.A O no hydrogen 3.311 N/A VAL 586.A N ILE 582.A O no hydrogen 2.801 N/A LYS 588.A N VAL 584.A O no hydrogen 2.812 N/A MET 589.A N LEU 585.A O no hydrogen 3.027 N/A ILE 590.A N ASP 587.A O no hydrogen 3.037 N/A ARG 591.A N ASP 587.A O no hydrogen 3.155 N/A THR 592.A OG1 LYS 588.A O no hydrogen 2.638 N/A GLN 593.A N ILE 590.A O no hydrogen 3.331 N/A VAL 595.A N MET 589.A O no hydrogen 2.682 N/A CYS 597.A SG THR 625.A O no hydrogen 3.697 N/A VAL 600.A N ASP 596.A O no hydrogen 3.126 N/A ALA 601.A N CYS 597.A O no hydrogen 2.894 N/A TRP 603.A N ALA 599.A O no hydrogen 3.146 N/A ILE 604.A N VAL 600.A O no hydrogen 2.961 N/A ILE 604.A N ALA 601.A O no hydrogen 3.208 N/A PHE 605.A N ALA 601.A O no hydrogen 3.379 N/A SER 606.A OG TRP 603.A O no hydrogen 2.579 N/A SER 607.A OG GLU 608.A OE1 no hydrogen 3.508 N/A LEU 609.A N SER 606.A O no hydrogen 3.171 N/A SER 610.A N SER 607.A O no hydrogen 3.300 N/A SER 610.A OG SER 606.A O no hydrogen 3.056 N/A ARG 615.A N ASP 612.A O no hydrogen 2.838 N/A ARG 615.A NH1 ASP 612.A OD2 no hydrogen 3.281 N/A TRP 619.A N LEU 616.A O no hydrogen 2.832 N/A GLU 620.A N LEU 616.A O no hydrogen 3.125 N/A LEU 622.A N TRP 619.A O no hydrogen 2.992 N/A HIS 623.A N TRP 619.A O no hydrogen 2.796 N/A HIS 623.A ND1 HIS 720.A NE2 no hydrogen 2.874 N/A THR 625.A N ILE 621.A O no hydrogen 3.222 N/A THR 625.A N LEU 622.A O no hydrogen 3.183 N/A THR 625.A OG1 ILE 621.A O no hydrogen 2.658 N/A ILE 626.A N LEU 622.A O no hydrogen 3.144 N/A ARG 627.A NH2 SER 624.A OG no hydrogen 3.296 N/A LYS 628.A N SER 624.A O no hydrogen 3.471 N/A LYS 628.A NZ ASP 587.A OD2 no hydrogen 3.177 N/A LYS 628.A NZ SER 624.A O no hydrogen 3.296 N/A MET 629.A N THR 625.A O no hydrogen 3.377 N/A ASN 630.A N ILE 626.A O no hydrogen 2.900 N/A LYS 631.A N ARG 627.A O no hydrogen 2.769 N/A VAL 633.A N MET 629.A O no hydrogen 2.973 N/A LEU 634.A N ASN 630.A O no hydrogen 2.799 N/A LYS 635.A N LYS 631.A O no hydrogen 3.296 N/A ILE 636.A N HIS 632.A O no hydrogen 3.378 N/A GLN 637.A N VAL 633.A O no hydrogen 3.183 N/A LYS 638.A N LEU 634.A O no hydrogen 2.799 N/A GLU 639.A N LYS 635.A O no hydrogen 2.948 N/A LEU 640.A N ILE 636.A O no hydrogen 2.691 N/A LEU 640.A N GLN 637.A O no hydrogen 3.201 N/A GLU 641.A N GLN 637.A O no hydrogen 2.893 N/A ALA 643.A N LEU 640.A O no hydrogen 3.110 N/A LYS 644.A N LEU 640.A O no hydrogen 3.015 N/A LEU 647.A N LYS 644.A O no hydrogen 3.053 N/A VAL 653.A N ARG 649.A O no hydrogen 3.226 N/A LEU 654.A N LYS 650.A O no hydrogen 2.832 N/A LEU 654.A N ASP 651.A O no hydrogen 3.036 N/A GLU 655.A N ASP 651.A O no hydrogen 2.666 N/A GLU 656.A N GLY 652.A O no hydrogen 2.781 N/A ILE 658.A N LEU 654.A O no hydrogen 3.021 N/A GLU 659.A N GLU 655.A O no hydrogen 3.285 N/A ARG 660.A N GLU 656.A O no hydrogen 3.141 N/A LEU 661.A N GLN 657.A O no hydrogen 2.817 N/A LEU 661.A N ILE 658.A O no hydrogen 3.156 N/A GLN 662.A N ILE 658.A O no hydrogen 2.988 N/A GLN 662.A N GLU 659.A O no hydrogen 2.962 N/A GLU 663.A N GLU 659.A O no hydrogen 3.069 N/A LYS 664.A N ARG 660.A O no hydrogen 3.257 N/A VAL 665.A N LEU 661.A O no hydrogen 3.125 N/A GLU 666.A N GLN 662.A O no hydrogen 3.052 N/A SER 667.A N GLU 663.A O no hydrogen 3.179 N/A SER 667.A OG GLU 663.A O no hydrogen 2.778 N/A ALA 668.A N LYS 664.A O no hydrogen 2.961 N/A GLN 669.A N VAL 665.A O no hydrogen 2.794 N/A GLU 671.A N SER 667.A O no hydrogen 3.030 N/A GLN 672.A N ALA 668.A O no hydrogen 3.066 N/A GLN 672.A NE2 ASN 630.A OD1 no hydrogen 3.108 N/A LYS 673.A N GLN 669.A O no hydrogen 3.163 N/A LYS 673.A NZ THR 730.A OG1 no hydrogen 2.876 N/A ASN 674.A N SER 670.A O no hydrogen 2.868 N/A LEU 675.A N GLU 671.A O no hydrogen 2.922 N/A PHE 676.A N GLN 672.A O no hydrogen 3.186 N/A LEU 677.A N LYS 673.A O no hydrogen 2.864 N/A VAL 678.A N ASN 674.A O no hydrogen 2.730 N/A ILE 679.A N LEU 675.A O no hydrogen 2.962 N/A PHE 680.A N PHE 676.A O no hydrogen 3.304 N/A GLN 681.A N LEU 677.A O no hydrogen 3.114 N/A ARG 682.A N VAL 678.A O no hydrogen 3.011 N/A PHE 683.A N ILE 679.A O no hydrogen 2.934 N/A ILE 684.A N PHE 680.A O no hydrogen 2.691 N/A MET 685.A N GLN 681.A O no hydrogen 3.101 N/A ILE 686.A N ARG 682.A O no hydrogen 3.015 N/A LEU 687.A N PHE 683.A O no hydrogen 2.862 N/A THR 688.A N ILE 684.A O no hydrogen 3.052 N/A THR 688.A OG1 ILE 684.A O no hydrogen 2.859 N/A GLU 689.A N MET 685.A O no hydrogen 2.961 N/A HIS 690.A N ILE 686.A O no hydrogen 3.266 N/A HIS 690.A NE2 VAL 701.A O no hydrogen 3.263 N/A LEU 691.A N LEU 687.A O no hydrogen 3.022 N/A LEU 691.A N THR 688.A O no hydrogen 3.251 N/A VAL 692.A N THR 688.A O no hydrogen 2.843 N/A ARG 693.A N GLU 689.A O no hydrogen 3.034 N/A ARG 693.A NH1 HIS 690.A ND1 no hydrogen 3.091 N/A CYS 694.A N HIS 690.A O no hydrogen 3.459 N/A CYS 694.A SG HIS 690.A O no hydrogen 3.510 N/A CYS 694.A SG THR 699.A OG1 no hydrogen 3.510 N/A CYS 694.A SG SER 700.A O no hydrogen 3.674 N/A GLU 695.A N LEU 691.A O no hydrogen 2.890 N/A THR 696.A N ARG 693.A O no hydrogen 2.909 N/A THR 696.A OG1 VAL 692.A O no hydrogen 2.769 N/A ASP 697.A N ARG 693.A O no hydrogen 2.759 N/A THR 699.A N CYS 694.A O no hydrogen 3.062 N/A THR 699.A OG1 CYS 694.A O no hydrogen 3.447 N/A THR 703.A OG1 HIS 690.A NE2 no hydrogen 3.063 N/A THR 703.A OG1 VAL 701.A O no hydrogen 3.549 N/A TYR 706.A N THR 703.A OG1 no hydrogen 2.933 N/A LYS 707.A N THR 703.A O no hydrogen 2.909 N/A LYS 707.A NZ GLU 711.A OE1 no hydrogen 3.379 N/A ASN 708.A N PRO 704.A O no hydrogen 3.131 N/A ILE 710.A N TYR 706.A O no hydrogen 2.894 N/A GLU 711.A N LYS 707.A O no hydrogen 3.301 N/A ARG 712.A NH1 ASP 405.A OD2 no hydrogen 2.807 N/A ARG 712.A NH1 GLN 715.A OE1 no hydrogen 2.845 N/A LEU 713.A N CYS 709.A O no hydrogen 2.971 N/A GLN 714.A N ILE 710.A O no hydrogen 3.050 N/A GLN 715.A N GLU 711.A O no hydrogen 2.621 N/A ILE 716.A N LEU 713.A O no hydrogen 3.239 N/A LEU 718.A N GLN 714.A O no hydrogen 3.056 N/A GLN 719.A N GLN 715.A O no hydrogen 2.947 N/A HIS 720.A NE2 HIS 623.A ND1 no hydrogen 2.874 N/A HIS 721.A ND1 LEU 718.A O no hydrogen 2.730 N/A ILE 724.A N HIS 720.A O no hydrogen 3.237 N/A GLN 725.A N HIS 721.A O no hydrogen 2.928 N/A GLN 725.A NE2 GLN 755.A OE1 no hydrogen 3.350 N/A GLN 726.A N ILE 723.A O no hydrogen 2.914 N/A TYR 727.A N ILE 724.A O no hydrogen 3.224 N/A LEU 731.A N TYR 727.A O no hydrogen 2.827 N/A GLU 732.A N MET 728.A O no hydrogen 2.858 N/A ASN 733.A N VAL 729.A O no hydrogen 3.054 N/A ASN 733.A N THR 730.A O no hydrogen 3.140 N/A LEU 734.A N THR 730.A O no hydrogen 2.882 N/A LEU 734.A N LEU 731.A O no hydrogen 3.355 N/A PHE 736.A N LEU 731.A O no hydrogen 2.891 N/A THR 737.A OG1 GLU 739.A OE1 no hydrogen 3.091 N/A LEU 740.A N THR 737.A O no hydrogen 2.946 N/A HIS 743.A N ASP 741.A OD1 no hydrogen 2.903 N/A ILE 744.A N ASP 741.A O no hydrogen 2.798 N/A LEU 745.A N ASP 741.A O no hydrogen 2.805 N/A ALA 746.A N PRO 742.A O no hydrogen 2.831 N/A PHE 748.A N LEU 745.A O no hydrogen 3.233 N/A GLN 749.A N LEU 745.A O no hydrogen 3.073 N/A GLN 750.A N ALA 746.A O no hydrogen 2.846 N/A PHE 751.A N PHE 748.A O no hydrogen 2.980 N/A CYS 752.A N PHE 748.A O no hydrogen 3.182 N/A CYS 752.A SG PHE 748.A O no hydrogen 3.614 N/A LEU 754.A N PHE 751.A O no hydrogen 3.101 N/A ALA 756.A N ALA 753.A O no hydrogen 3.484 N/A