Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pae_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A NE2 THR 5.A OG1 no hydrogen 3.241 N/A THR 5.A OG1 HIS 1.A NE2 no hydrogen 3.241 N/A THR 6.A OG1 ASN 8.A OD1 no hydrogen 3.232 N/A SER 10.A N ASN 8.A O no hydrogen 2.907 N/A ALA 18.A N TRP 15.A O no hydrogen 3.327 N/A LEU 21.A N LEU 19.A O no hydrogen 3.086 N/A ILE 23.A N ASN 20.A O no hydrogen 3.281 N/A LEU 24.A N LEU 21.A O no hydrogen 3.034 N/A SER 25.A N ASP 22.A O no hydrogen 3.340 N/A SER 25.A OG ASP 22.A O no hydrogen 3.247 N/A GLN 26.A NE2 HIS 168.A NE2 no hydrogen 3.342 N/A ARG 29.A N ASP 28.A OD1 no hydrogen 2.770 N/A THR 31.A OG1 ASP 28.A O no hydrogen 3.000 N/A ASN 32.A N ASP 28.A O no hydrogen 3.160 N/A TYR 40.A OH SER 136.A OG no hydrogen 3.304 N/A TYR 40.A OH ASP 139.A OD2 no hydrogen 3.052 N/A GLU 43.A N ASN 39.A O no hydrogen 3.214 N/A VAL 44.A N TYR 40.A O no hydrogen 2.761 N/A LEU 47.A N VAL 44.A O no hydrogen 2.859 N/A ALA 51.A N ASP 48.A OD1 no hydrogen 3.367 N/A LEU 52.A N ASP 48.A O no hydrogen 2.996 N/A LYS 53.A N VAL 49.A O no hydrogen 3.118 N/A LYS 53.A NZ ASP 413.A OD1 no hydrogen 3.497 N/A GLN 54.A N ALA 50.A O no hydrogen 3.175 N/A ASP 55.A N ALA 51.A O no hydrogen 3.025 N/A ASP 55.A N LEU 52.A O no hydrogen 2.960 N/A LEU 56.A N LEU 52.A O no hydrogen 2.845 N/A GLN 57.A N LYS 53.A O no hydrogen 3.172 N/A ALA 58.A N GLN 54.A O no hydrogen 3.075 N/A LEU 59.A N ASP 55.A O no hydrogen 2.913 N/A MET 60.A N LEU 56.A O no hydrogen 3.031 N/A THR 61.A N ALA 58.A O no hydrogen 3.417 N/A THR 61.A OG1 ALA 58.A O no hydrogen 3.540 N/A ASP 62.A N LEU 59.A O no hydrogen 2.666 N/A GLN 64.A N TYR 74.A OH no hydrogen 2.905 N/A GLN 64.A NE2 ASP 62.A O no hydrogen 2.715 N/A PHE 67.A N GLN 64.A O no hydrogen 2.986 N/A ALA 69.A N SER 63.A OG no hydrogen 2.764 N/A TRP 71.A N VAL 349.A O no hydrogen 3.279 N/A GLY 72.A N ALA 69.A O no hydrogen 3.047 N/A HIS 73.A N ASP 70.A O no hydrogen 2.692 N/A TYR 74.A N MET 60.A O no hydrogen 2.855 N/A TYR 74.A OH PHE 67.A O no hydrogen 2.406 N/A GLY 75.A N HIS 73.A ND1 no hydrogen 3.122 N/A MET 78.A N TYR 74.A O no hydrogen 2.955 N/A ILE 79.A N GLY 75.A O no hydrogen 3.137 N/A ARG 80.A N GLY 76.A O no hydrogen 3.214 N/A ARG 80.A NH2 ASP 113.A O no hydrogen 3.317 N/A ARG 80.A NH2 THR 115.A O no hydrogen 2.597 N/A LEU 81.A N LEU 77.A O no hydrogen 2.959 N/A THR 82.A N MET 78.A O no hydrogen 3.207 N/A THR 82.A OG1 MET 78.A O no hydrogen 3.337 N/A THR 82.A OG1 ILE 141.A O no hydrogen 2.673 N/A TRP 83.A N ILE 79.A O no hydrogen 2.692 N/A HIS 84.A N ARG 80.A O no hydrogen 2.695 N/A ALA 85.A N LEU 81.A O no hydrogen 2.644 N/A ALA 86.A N THR 82.A O no hydrogen 3.036 N/A GLY 87.A N TRP 83.A O no hydrogen 2.569 N/A THR 88.A OG1 ALA 85.A O no hydrogen 3.540 N/A TYR 89.A N ALA 86.A O no hydrogen 3.253 N/A TYR 89.A OH ASP 466.A OD2 no hydrogen 2.590 N/A ARG 90.A N ARG 95.A O no hydrogen 3.106 N/A ARG 90.A NE ASP 93.A OD1 no hydrogen 3.147 N/A ARG 90.A NE ASP 93.A OD2 no hydrogen 3.278 N/A ARG 90.A NH1 TYR 174.A O no hydrogen 3.303 N/A ARG 90.A NH2 ASP 93.A OD2 no hydrogen 3.133 N/A ARG 90.A NH2 TYR 174.A O no hydrogen 2.833 N/A ILE 91.A N ARG 236.A O no hydrogen 2.875 N/A ARG 95.A N ASP 93.A OD1 no hydrogen 2.740 N/A ARG 95.A NE ASP 172.A OD2 no hydrogen 2.578 N/A ARG 95.A NH1 ASP 93.A OD2 no hydrogen 3.036 N/A ARG 95.A NH2 ASP 582.A OD1 no hydrogen 2.789 N/A GLY 97.A N THR 88.A OG1 no hydrogen 2.863 N/A GLY 99.A N ASP 402.A OD2 no hydrogen 2.939 N/A THR 100.A OG1 GLU 170.A OE2 no hydrogen 2.980 N/A ASN 102.A ND2 GLY 97.A O no hydrogen 3.122 N/A ARG 104.A N GLY 101.A O no hydrogen 3.269 N/A ARG 104.A NH1 ILE 166.A O no hydrogen 2.908 N/A ASN 109.A N PHE 105.A O no hydrogen 3.197 N/A ASN 109.A ND2 GLU 271.A OE1 no hydrogen 3.382 N/A SER 110.A N PRO 107.A O no hydrogen 2.957 N/A SER 110.A OG ASN 109.A OD1 no hydrogen 2.614 N/A TRP 111.A N LEU 108.A O no hydrogen 3.369 N/A ASP 113.A N GLY 208.A O no hydrogen 3.135 N/A ASN 114.A N TRP 111.A O no hydrogen 2.986 N/A ASN 114.A ND2 HIS 84.A ND1 no hydrogen 3.074 N/A THR 115.A N PRO 112.A O no hydrogen 2.958 N/A THR 115.A OG1 PRO 112.A O no hydrogen 2.049 N/A ASN 116.A ND2 VAL 295.A O no hydrogen 3.319 N/A ASN 116.A ND2 THR 296.A OG1 no hydrogen 2.915 N/A LEU 117.A N ASN 114.A O no hydrogen 3.149 N/A LYS 119.A N ASN 116.A O no hydrogen 2.893 N/A LYS 119.A NZ ASN 116.A OD1 no hydrogen 2.730 N/A LYS 119.A NZ ASP 118.A OD1 no hydrogen 3.320 N/A LYS 119.A NZ ASP 118.A OD2 no hydrogen 3.337 N/A LYS 119.A NZ GLY 281.A O no hydrogen 3.046 N/A ALA 120.A N ASN 116.A O no hydrogen 3.461 N/A ARG 121.A N LEU 117.A O no hydrogen 3.006 N/A ARG 122.A N ASP 118.A O no hydrogen 3.342 N/A ARG 122.A NH1 GLN 278.A O no hydrogen 2.775 N/A ARG 122.A NH2 GLN 278.A O no hydrogen 3.353 N/A LEU 123.A N LYS 119.A O no hydrogen 2.785 N/A LEU 124.A N ALA 120.A O no hydrogen 3.126 N/A LEU 124.A N ARG 121.A O no hydrogen 3.235 N/A TRP 125.A N ARG 122.A O no hydrogen 2.917 N/A ILE 127.A N LEU 124.A O no hydrogen 2.947 N/A LYS 128.A N LEU 124.A O no hydrogen 3.367 N/A LYS 128.A NZ LEU 135.A O no hydrogen 2.838 N/A GLN 129.A N TRP 125.A O no hydrogen 2.779 N/A LYS 130.A N PRO 126.A O no hydrogen 3.043 N/A LYS 130.A NZ ASP 55.A OD2 no hydrogen 2.562 N/A TYR 131.A N ILE 127.A O no hydrogen 3.002 N/A TYR 131.A OH ASP 55.A OD2 no hydrogen 2.665 N/A GLY 132.A N LYS 128.A O no hydrogen 2.970 N/A LEU 135.A N GLY 132.A O no hydrogen 3.054 N/A SER 136.A N TYR 40.A OH no hydrogen 2.780 N/A SER 136.A OG TYR 40.A OH no hydrogen 3.304 N/A SER 136.A OG ARG 163.A O no hydrogen 2.825 N/A TRP 137.A N ASP 165.A OD2 no hydrogen 2.756 N/A ALA 138.A N ASP 165.A OD1 no hydrogen 3.017 N/A ASP 139.A N SER 136.A OG no hydrogen 3.126 N/A LEU 140.A N SER 136.A O no hydrogen 3.156 N/A ILE 141.A N TRP 137.A O no hydrogen 2.858 N/A ALA 142.A N ALA 138.A O no hydrogen 3.271 N/A TYR 143.A N ASP 139.A O no hydrogen 2.778 N/A TYR 143.A N LEU 140.A O no hydrogen 3.078 N/A ALA 144.A N LEU 140.A O no hydrogen 2.999 N/A ALA 144.A N ILE 141.A O no hydrogen 3.288 N/A GLY 145.A N THR 82.A OG1 no hydrogen 2.887 N/A THR 146.A N TYR 143.A O no hydrogen 2.684 N/A THR 146.A OG1 ALA 142.A O no hydrogen 3.441 N/A ILE 147.A N TYR 143.A O no hydrogen 2.947 N/A ALA 148.A N ALA 144.A O no hydrogen 2.990 N/A TYR 149.A N GLY 145.A O no hydrogen 3.003 N/A TYR 149.A OH GLY 250.A O no hydrogen 2.486 N/A GLU 150.A N THR 146.A O no hydrogen 3.196 N/A SER 151.A N ILE 147.A O no hydrogen 2.846 N/A SER 151.A OG ILE 147.A O no hydrogen 3.302 N/A SER 151.A OG ALA 148.A O no hydrogen 2.662 N/A MET 152.A N ALA 148.A O no hydrogen 2.968 N/A MET 152.A N TYR 149.A O no hydrogen 3.154 N/A GLY 153.A N TYR 149.A O no hydrogen 3.029 N/A GLY 153.A N GLU 150.A O no hydrogen 2.783 N/A LEU 154.A N TYR 149.A O no hydrogen 2.923 N/A LYS 155.A NZ GLU 150.A OE1 no hydrogen 2.730 N/A LYS 155.A NZ THR 156.A O no hydrogen 3.184 N/A THR 156.A N GLU 150.A OE1 no hydrogen 3.195 N/A THR 156.A OG1 GLU 150.A OE1 no hydrogen 2.717 N/A PHE 159.A N ASP 413.A O no hydrogen 3.081 N/A PHE 161.A N ILE 410.A O no hydrogen 3.051 N/A GLY 162.A N ASP 139.A OD2 no hydrogen 2.653 N/A ARG 163.A N ASP 139.A OD1 no hydrogen 3.264 N/A ARG 163.A N ASP 139.A OD2 no hydrogen 3.346 N/A ARG 163.A NH1 THR 399.A O no hydrogen 2.989 N/A ARG 163.A NH2 ASP 139.A OD1 no hydrogen 2.736 N/A ARG 163.A NH2 ALA 160.A O no hydrogen 3.225 N/A GLU 170.A N GLU 170.A OE1 no hydrogen 3.122 N/A ILE 173.A N GLU 170.A O no hydrogen 3.249 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.841 N/A LYS 179.A NZ PRO 177.A O no hydrogen 3.343 N/A VAL 182.A N MET 207.A O no hydrogen 3.195 N/A SER 185.A N ASP 218.A OD1 no hydrogen 2.667 N/A SER 185.A OG ASP 218.A OD2 no hydrogen 3.149 N/A SER 190.A OG SER 185.A O no hydrogen 2.740 N/A SER 190.A OG TYR 192.A O no hydrogen 3.290 N/A ARG 191.A NE GLU 178.A OE1 no hydrogen 3.328 N/A ARG 191.A NE GLU 178.A OE2 no hydrogen 2.990 N/A ARG 191.A NH1 ALA 204.A O no hydrogen 2.948 N/A ARG 191.A NH2 TRP 175.A O no hydrogen 3.243 N/A ARG 191.A NH2 GLU 178.A OE1 no hydrogen 2.951 N/A TYR 192.A N SER 190.A OG no hydrogen 3.062 N/A THR 193.A N GLU 197.A O no hydrogen 3.052 N/A ARG 196.A NH2 ASP 229.A OD1 no hydrogen 2.948 N/A GLU 199.A N ARG 191.A O no hydrogen 2.982 N/A LEU 202.A N GLU 199.A O no hydrogen 3.387 N/A VAL 205.A N TYR 211.A O no hydrogen 3.205 N/A THR 206.A OG1 PRO 183.A O no hydrogen 3.241 N/A ILE 210.A N ASP 113.A OD2 no hydrogen 2.511 N/A GLU 215.A N ASN 213.A OD1 no hydrogen 3.136 N/A GLY 219.A N GLY 216.A O no hydrogen 3.144 N/A ASN 220.A N VAL 217.A O no hydrogen 3.093 N/A ASP 222.A N ASP 362.A OD2 no hydrogen 2.977 N/A LEU 224.A N ASP 222.A OD1 no hydrogen 3.200 N/A LYS 225.A N ASP 222.A O no hydrogen 2.971 N/A THR 226.A N ASP 222.A O no hydrogen 3.061 N/A THR 226.A OG1 ASP 222.A O no hydrogen 3.475 N/A THR 226.A OG1 ASP 362.A OD2 no hydrogen 2.391 N/A ALA 227.A N PRO 223.A O no hydrogen 3.098 N/A ASP 229.A N LYS 225.A O no hydrogen 2.942 N/A VAL 230.A N THR 226.A O no hydrogen 2.764 N/A ARG 231.A N ALA 227.A O no hydrogen 2.930 N/A ARG 231.A NE ASP 241.A OD1 no hydrogen 3.384 N/A ARG 231.A NE ASP 241.A OD2 no hydrogen 3.509 N/A ARG 231.A NH1 ASP 370.A OD2 no hydrogen 3.286 N/A ARG 231.A NH2 ASP 241.A OD2 no hydrogen 3.055 N/A ARG 231.A NH2 ASP 370.A OD1 no hydrogen 3.429 N/A VAL 232.A N HIS 228.A O no hydrogen 3.083 N/A THR 233.A N ASP 229.A O no hydrogen 3.090 N/A THR 233.A OG1 ASP 229.A O no hydrogen 3.047 N/A THR 233.A OG1 VAL 230.A O no hydrogen 2.990 N/A PHE 234.A N VAL 230.A O no hydrogen 2.947 N/A ALA 235.A N ARG 231.A O no hydrogen 3.237 N/A ARG 236.A N VAL 232.A O no hydrogen 2.896 N/A ARG 236.A NH1 LEU 198.A O no hydrogen 3.092 N/A ARG 236.A NH1 LEU 202.A O no hydrogen 2.907 N/A ARG 236.A NH2 LEU 198.A O no hydrogen 3.069 N/A MET 237.A N THR 233.A O no hydrogen 3.035 N/A MET 237.A N PHE 234.A O no hydrogen 2.817 N/A ALA 238.A N ALA 235.A O no hydrogen 2.971 N/A MET 239.A N PHE 234.A O no hydrogen 2.882 N/A ASN 240.A N GLU 243.A OE1 no hydrogen 3.022 N/A GLU 242.A N ASN 240.A OD1 no hydrogen 2.850 N/A THR 244.A N ASN 240.A O no hydrogen 2.793 N/A THR 244.A OG1 ASN 240.A O no hydrogen 2.547 N/A VAL 245.A N ASP 241.A O no hydrogen 3.062 N/A ALA 246.A N GLU 242.A O no hydrogen 3.100 N/A LEU 247.A N GLU 243.A O no hydrogen 2.835 N/A THR 248.A N THR 244.A O no hydrogen 3.159 N/A THR 248.A N VAL 245.A O no hydrogen 2.937 N/A THR 248.A OG1 THR 244.A O no hydrogen 2.977 N/A ALA 249.A N VAL 245.A O no hydrogen 2.915 N/A GLY 250.A N ALA 246.A O no hydrogen 2.928 N/A GLY 251.A N LEU 247.A O no hydrogen 2.889 N/A HIS 252.A N THR 248.A O no hydrogen 2.993 N/A HIS 252.A ND1 ASP 364.A OD1 no hydrogen 2.959 N/A THR 253.A OG1 ALA 249.A O no hydrogen 2.489 N/A VAL 254.A N GLY 251.A O no hydrogen 3.265 N/A GLY 255.A N PRO 307.A O no hydrogen 2.846 N/A CYS 257.A N GLY 301.A O no hydrogen 2.719 N/A HIS 258.A NE2 ASP 70.A OD2 no hydrogen 2.759 N/A GLY 259.A N GLU 300.A OE1 no hydrogen 2.974 N/A ASN 260.A N ALA 294.A O no hydrogen 3.252 N/A ASN 260.A ND2 ARG 292.A O no hydrogen 2.793 N/A LEU 265.A N ASN 262.A O no hydrogen 2.906 N/A LEU 266.A N ALA 263.A O no hydrogen 2.739 N/A GLY 267.A N ILE 283.A O no hydrogen 2.702 N/A GLU 271.A N SER 110.A OG no hydrogen 3.026 N/A ALA 273.A N GLU 269.A O no hydrogen 2.851 N/A VAL 275.A N ASP 274.A OD1 no hydrogen 2.727 N/A GLU 276.A N GLU 276.A OE1 no hydrogen 3.042 N/A ASP 277.A N ASP 274.A O no hydrogen 3.036 N/A LEU 280.A N ASP 277.A O no hydrogen 3.040 N/A GLY 281.A N ASP 118.A OD2 no hydrogen 2.737 N/A TRP 282.A N PRO 268.A O no hydrogen 3.044 N/A LYS 285.A NZ ASP 277.A OD1 no hydrogen 2.860 N/A SER 288.A OG ASN 293.A OD1 no hydrogen 3.324 N/A ARG 292.A N GLU 350.A OE2 no hydrogen 2.872 N/A ARG 292.A NH1 ASP 348.A OD2 no hydrogen 2.730 N/A THR 296.A N HIS 258.A O no hydrogen 2.644 N/A GLY 298.A N HIS 258.A O no hydrogen 3.198 N/A GLU 300.A N GLN 334.A OE1 no hydrogen 2.856 N/A GLY 301.A N CYS 257.A O no hydrogen 3.279 N/A ALA 302.A N ASN 357.A O no hydrogen 3.391 N/A TRP 303.A NE1 ASP 364.A OD2 no hydrogen 2.423 N/A THR 304.A OG1 THR 253.A O no hydrogen 3.463 N/A THR 304.A OG1 HIS 306.A O no hydrogen 3.519 N/A TRP 310.A N MET 152.A O no hydrogen 2.823 N/A GLY 313.A N ASP 311.A OD1 no hydrogen 3.108 N/A TYR 314.A OH ASP 364.A OD1 no hydrogen 2.820 N/A ARG 316.A N ASN 312.A O no hydrogen 3.208 N/A MET 317.A N GLY 313.A O no hydrogen 2.826 N/A LEU 318.A N TYR 314.A O no hydrogen 2.942 N/A LEU 319.A N PHE 315.A O no hydrogen 2.815 N/A ASN 320.A N ARG 316.A O no hydrogen 3.061 N/A TYR 321.A N MET 317.A O no hydrogen 3.352 N/A TYR 321.A OH ASP 344.A OD2 no hydrogen 2.358 N/A GLU 324.A N GLU 336.A O no hydrogen 2.887 N/A LYS 326.A N GLN 334.A O no hydrogen 2.931 N/A SER 328.A N ALA 332.A O no hydrogen 3.060 N/A SER 328.A OG GLY 298.A O no hydrogen 2.670 N/A SER 328.A OG ALA 332.A O no hydrogen 3.516 N/A GLY 331.A N SER 328.A O no hydrogen 2.979 N/A TRP 333.A N GLU 215.A OE1 no hydrogen 3.167 N/A GLN 334.A N LYS 326.A O no hydrogen 3.321 N/A GLN 334.A NE2 GLU 300.A O no hydrogen 3.102 N/A GLN 334.A NE2 GLU 336.A OE2 no hydrogen 2.981 N/A TRP 335.A N MET 360.A O no hydrogen 3.108 N/A TRP 335.A NE1 ASP 362.A OD1 no hydrogen 3.209 N/A GLU 336.A N GLU 324.A O no hydrogen 3.151 N/A ILE 338.A N ASP 322.A O no hydrogen 3.002 N/A ARG 341.A N TYR 321.A OH no hydrogen 3.270 N/A ARG 341.A NH2 GLU 343.A OE2 no hydrogen 3.055 N/A GLU 343.A N GLU 343.A OE1 no hydrogen 2.804 N/A ASP 344.A N ARG 341.A O no hydrogen 3.252 N/A LEU 345.A N GLU 342.A O no hydrogen 2.964 N/A GLU 350.A N ASP 348.A OD2 no hydrogen 3.005 N/A ASP 351.A N ASP 348.A OD2 no hydrogen 2.904 N/A SER 353.A N ASP 351.A OD1 no hydrogen 3.435 N/A SER 353.A OG ASP 351.A OD1 no hydrogen 2.793 N/A SER 353.A OG ASP 351.A OD2 no hydrogen 3.337 N/A ARG 356.A N PRO 346.A O no hydrogen 2.784 N/A VAL 359.A N ALA 302.A O no hydrogen 3.360 N/A MET 360.A N TRP 335.A O no hydrogen 2.902 N/A THR 361.A N ASP 364.A OD2 no hydrogen 2.992 N/A ASP 362.A N PRO 214.A O no hydrogen 3.043 N/A ASP 364.A N THR 361.A OG1 no hydrogen 2.906 N/A MET 365.A N THR 361.A O no hydrogen 2.951 N/A ALA 366.A N ASP 362.A O no hydrogen 2.863 N/A MET 367.A N ASP 364.A O no hydrogen 2.940 N/A LYS 368.A NZ LEU 318.A O no hydrogen 2.640 N/A MET 369.A N MET 365.A O no hydrogen 2.958 N/A ASP 370.A N ALA 366.A O no hydrogen 3.250 N/A TYR 373.A N ASP 370.A OD1 no hydrogen 2.914 N/A ARG 374.A N ASP 370.A O no hydrogen 2.810 N/A ARG 374.A NE GLU 378.A OE1 no hydrogen 2.383 N/A ARG 374.A NH1 LYS 368.A O no hydrogen 3.509 N/A ARG 374.A NH2 GLU 378.A OE1 no hydrogen 3.048 N/A LYS 375.A N PRO 371.A O no hydrogen 3.440 N/A ILE 376.A N TYR 373.A O no hydrogen 2.931 N/A SER 377.A N TYR 373.A O no hydrogen 2.873 N/A SER 377.A OG MET 367.A O no hydrogen 3.244 N/A SER 377.A OG TYR 373.A O no hydrogen 3.111 N/A GLU 378.A N ARG 374.A O no hydrogen 2.990 N/A ARG 379.A NH2 ASP 383.A OD2 no hydrogen 2.773 N/A PHE 380.A N ILE 376.A O no hydrogen 3.109 N/A TYR 381.A N SER 377.A O no hydrogen 3.068 N/A TYR 381.A N GLU 378.A O no hydrogen 3.263 N/A GLN 382.A N GLU 378.A O no hydrogen 3.170 N/A TYR 386.A N ASP 383.A O no hydrogen 3.012 N/A TYR 386.A OH GLU 242.A OE1 no hydrogen 2.719 N/A PHE 387.A N ASP 383.A O no hydrogen 3.204 N/A ALA 388.A N PRO 384.A O no hydrogen 2.844 N/A ASP 389.A N ALA 385.A O no hydrogen 3.204 N/A VAL 390.A N TYR 386.A O no hydrogen 2.771 N/A PHE 391.A N PHE 387.A O no hydrogen 2.723 N/A ALA 392.A N ALA 388.A O no hydrogen 3.088 N/A ARG 393.A N ASP 389.A O no hydrogen 3.290 N/A ARG 393.A NH1 GLU 417.A OE1 no hydrogen 3.528 N/A ARG 393.A NH2 GLU 417.A OE1 no hydrogen 3.365 N/A ARG 393.A NH2 GLU 417.A OE2 no hydrogen 2.973 N/A ALA 394.A N VAL 390.A O no hydrogen 3.020 N/A TRP 395.A N PHE 391.A O no hydrogen 2.785 N/A TRP 395.A NE1 THR 146.A OG1 no hydrogen 2.987 N/A PHE 396.A N ALA 392.A O no hydrogen 3.129 N/A LYS 397.A N ARG 393.A O no hydrogen 2.576 N/A LYS 397.A NZ ALA 238.A O no hydrogen 3.346 N/A LEU 398.A N ALA 394.A O no hydrogen 2.597 N/A THR 399.A N TRP 395.A O no hydrogen 2.924 N/A THR 399.A OG1 TRP 395.A O no hydrogen 2.955 N/A THR 399.A OG1 PHE 396.A O no hydrogen 3.545 N/A HIS 400.A N LYS 397.A O no hydrogen 2.925 N/A ARG 401.A NH2 ALA 86.A O no hydrogen 2.839 N/A ARG 401.A NH2 TYR 211.A OH no hydrogen 3.018 N/A MET 403.A N HIS 400.A O no hydrogen 3.222 N/A LYS 406.A NZ PRO 415.A O no hydrogen 3.351 N/A LYS 406.A NZ GLN 416.A O no hydrogen 2.850 N/A LYS 406.A NZ GLU 417.A O no hydrogen 3.129 N/A ARG 408.A N PRO 405.A O no hydrogen 3.211 N/A ARG 408.A NH1 MET 403.A O no hydrogen 2.868 N/A TYR 409.A N LYS 406.A O no hydrogen 2.941 N/A LEU 419.A N GLN 422.A OE1 no hydrogen 3.304 N/A GLN 422.A N LEU 419.A O no hydrogen 3.136 N/A ASP 423.A N ILE 420.A O no hydrogen 3.097 N/A TYR 432.A OH ASP 512.A OD2 no hydrogen 2.942 N/A GLN 435.A NE2 GLN 435.A O no hydrogen 2.481 N/A GLN 435.A NE2 ASP 439.A OD2 no hydrogen 3.054 N/A ALA 436.A N ASP 433.A OD1 no hydrogen 3.419 N/A VAL 437.A N VAL 434.A O no hydrogen 2.720 N/A LYS 438.A N VAL 434.A O no hydrogen 2.965 N/A LYS 438.A NZ GLU 523.A OE1 no hydrogen 3.323 N/A LYS 438.A NZ GLU 523.A OE2 no hydrogen 3.275 N/A ASP 439.A N GLN 435.A O no hydrogen 2.917 N/A ARG 440.A N ALA 436.A O no hydrogen 2.863 N/A ILE 441.A N VAL 437.A O no hydrogen 2.835 N/A ALA 442.A N LYS 438.A O no hydrogen 2.933 N/A ALA 443.A N ASP 439.A O no hydrogen 3.257 N/A SER 444.A OG ILE 441.A O no hydrogen 2.179 N/A LEU 446.A N SER 444.A O no hydrogen 2.829 N/A SER 447.A N GLU 450.A OE2 no hydrogen 2.866 N/A SER 447.A OG SER 449.A OG no hydrogen 3.216 N/A SER 449.A OG SER 447.A OG no hydrogen 3.216 N/A LEU 451.A N SER 447.A O no hydrogen 2.826 N/A VAL 452.A N ILE 448.A O no hydrogen 2.830 N/A SER 453.A N SER 449.A O no hydrogen 2.822 N/A SER 453.A OG SER 449.A O no hydrogen 2.659 N/A THR 454.A OG1 GLU 450.A O no hydrogen 2.859 N/A ALA 455.A N LEU 451.A O no hydrogen 3.086 N/A TRP 456.A N VAL 452.A O no hydrogen 2.749 N/A TRP 456.A NE1 ASP 562.A OD2 no hydrogen 2.875 N/A ASP 457.A N SER 453.A O no hydrogen 2.661 N/A SER 458.A N THR 454.A O no hydrogen 2.896 N/A ALA 459.A N ALA 455.A O no hydrogen 3.424 N/A ARG 460.A NH1 ASP 562.A OD2 no hydrogen 2.560 N/A ARG 460.A NH2 GLY 486.A O no hydrogen 2.758 N/A THR 461.A OG1 SER 458.A O no hydrogen 3.518 N/A TYR 462.A N ALA 459.A O no hydrogen 3.355 N/A ARG 463.A N ARG 468.A O no hydrogen 2.879 N/A ARG 463.A NE ASP 466.A OD1 no hydrogen 2.926 N/A ARG 463.A NH1 ILE 91.A O no hydrogen 3.361 N/A ARG 463.A NH1 ALA 92.A O no hydrogen 2.891 N/A ARG 463.A NH2 ILE 91.A O no hydrogen 3.016 N/A ARG 463.A NH2 ASP 466.A OD2 no hydrogen 2.753 N/A ASN 464.A N LEU 586.A O no hydrogen 2.820 N/A ASN 464.A ND2 GLN 585.A O no hydrogen 3.503 N/A SER 465.A OG ASP 93.A O no hydrogen 2.623 N/A SER 465.A OG ASP 466.A OD1 no hydrogen 3.524 N/A LYS 467.A NZ ASN 464.A O no hydrogen 3.108 N/A ARG 468.A N ASP 466.A OD1 no hydrogen 3.389 N/A ARG 468.A NE ASP 423.A OD2 no hydrogen 2.900 N/A ARG 468.A NH1 SER 553.A O no hydrogen 3.514 N/A ARG 468.A NH2 ASP 423.A OD2 no hydrogen 3.368 N/A GLY 470.A N THR 461.A OG1 no hydrogen 2.785 N/A ASN 472.A N ASP 704.A OD2 no hydrogen 2.891 N/A GLY 473.A N GLY 542.A O no hydrogen 3.165 N/A ALA 474.A N ALA 471.A O no hydrogen 3.372 N/A ARG 475.A NE THR 549.A OG1 no hydrogen 2.858 N/A ARG 475.A NH1 ASP 423.A O no hydrogen 3.272 N/A ARG 475.A NH2 PRO 424.A O no hydrogen 2.479 N/A ARG 475.A NH2 GLN 548.A O no hydrogen 2.961 N/A ARG 477.A N ALA 474.A O no hydrogen 3.156 N/A ARG 477.A NH1 GLY 473.A O no hydrogen 3.103 N/A ARG 477.A NH1 ALA 474.A O no hydrogen 2.815 N/A GLN 481.A N LEU 478.A O no hydrogen 3.080 N/A LYS 482.A N LEU 478.A O no hydrogen 3.037 N/A ASP 483.A N PRO 480.A O no hydrogen 3.355 N/A TRP 484.A N GLN 481.A O no hydrogen 3.019 N/A ASN 487.A N TRP 484.A O no hydrogen 3.173 N/A GLU 488.A N GLU 485.A O no hydrogen 2.510 N/A ARG 491.A NE THR 454.A OG1 no hydrogen 3.007 N/A ARG 491.A NH1 ASP 457.A OD2 no hydrogen 3.385 N/A ARG 491.A NH1 GLU 488.A OE1 no hydrogen 3.179 N/A ARG 491.A NH2 THR 454.A OG1 no hydrogen 2.937 N/A LEU 492.A N GLU 488.A O no hydrogen 2.903 N/A ALA 493.A N PRO 489.A O no hydrogen 2.813 N/A LYS 494.A N ASP 490.A O no hydrogen 3.013 N/A LYS 494.A NZ GLU 450.A OE1 no hydrogen 2.867 N/A VAL 495.A N ARG 491.A O no hydrogen 3.067 N/A LEU 496.A N LEU 492.A O no hydrogen 2.968 N/A ALA 497.A N ALA 493.A O no hydrogen 2.938 N/A LEU 499.A N VAL 495.A O no hydrogen 2.905 N/A GLU 500.A N LEU 496.A O no hydrogen 2.502 N/A GLY 501.A N ALA 497.A O no hydrogen 3.491 N/A ILE 502.A N VAL 498.A O no hydrogen 3.086 N/A ALA 503.A N LEU 499.A O no hydrogen 3.059 N/A ALA 504.A N GLU 500.A O no hydrogen 2.714 N/A ALA 505.A N GLY 501.A O no hydrogen 2.581 N/A THR 506.A N ALA 503.A O no hydrogen 3.291 N/A THR 506.A OG1 ILE 502.A O no hydrogen 2.366 N/A GLY 507.A N ALA 503.A O no hydrogen 2.898 N/A SER 509.A OG ARG 541.A O no hydrogen 2.582 N/A VAL 510.A N ASP 543.A OD2 no hydrogen 2.674 N/A ALA 511.A N ASP 543.A OD1 no hydrogen 3.030 N/A ASP 512.A N SER 509.A OG no hydrogen 2.920 N/A VAL 513.A N SER 509.A O no hydrogen 2.971 N/A ILE 514.A N VAL 510.A O no hydrogen 2.623 N/A VAL 515.A N ALA 511.A O no hydrogen 2.970 N/A LEU 516.A N ASP 512.A O no hydrogen 2.888 N/A ALA 517.A N VAL 513.A O no hydrogen 2.622 N/A GLY 518.A N ILE 514.A O no hydrogen 3.459 N/A ASN 519.A N VAL 515.A O no hydrogen 2.935 N/A ASN 519.A ND2 PRO 536.A O no hydrogen 2.919 N/A VAL 520.A N LEU 516.A O no hydrogen 2.889 N/A GLY 521.A N ALA 517.A O no hydrogen 3.177 N/A VAL 522.A N GLY 518.A O no hydrogen 3.005 N/A GLU 523.A N ASN 519.A O no hydrogen 3.058 N/A GLN 524.A N VAL 520.A O no hydrogen 2.808 N/A ALA 525.A N GLY 521.A O no hydrogen 3.062 N/A ALA 526.A N VAL 522.A O no hydrogen 2.729 N/A ARG 527.A N GLU 523.A O no hydrogen 2.861 N/A ALA 528.A N GLN 524.A O no hydrogen 3.148 N/A ALA 529.A N ALA 525.A O no hydrogen 3.278 N/A ALA 529.A N ALA 526.A O no hydrogen 2.910 N/A GLY 530.A N ALA 526.A O no hydrogen 3.059 N/A LEU 535.A N GLU 523.A OE1 no hydrogen 2.769 N/A GLY 540.A N ASP 512.A OD2 no hydrogen 2.933 N/A ARG 541.A N ASP 512.A OD1 no hydrogen 3.083 N/A ARG 541.A NH1 ASP 512.A OD1 no hydrogen 3.290 N/A ARG 541.A NH2 MET 701.A O no hydrogen 3.477 N/A ALA 544.A N GLY 473.A O no hydrogen 3.136 N/A THR 545.A N GLN 548.A OE1 no hydrogen 3.072 N/A THR 545.A OG1 GLU 547.A OE2 no hydrogen 2.681 N/A GLU 547.A N THR 545.A OG1 no hydrogen 3.054 N/A GLU 547.A N GLU 547.A OE2 no hydrogen 2.943 N/A GLN 548.A N THR 545.A OG1 no hydrogen 3.232 N/A THR 549.A OG1 THR 545.A O no hydrogen 2.780 N/A SER 553.A N ASP 550.A OD1 no hydrogen 3.510 N/A SER 553.A OG ASP 550.A O no hydrogen 2.761 N/A PHE 554.A N ASP 550.A O no hydrogen 3.298 N/A ALA 555.A N GLU 552.A O no hydrogen 3.254 N/A VAL 556.A N SER 553.A O no hydrogen 3.414 N/A LEU 557.A N PHE 554.A O no hydrogen 3.176 N/A GLU 558.A N ALA 555.A O no hydrogen 2.806 N/A ASP 562.A N TRP 567.A O no hydrogen 2.847 N/A TYR 564.A N ASP 562.A OD1 no hydrogen 3.118 N/A TYR 564.A OH THR 584.A OG1 no hydrogen 2.449 N/A ARG 565.A N ASP 562.A O no hydrogen 3.095 N/A ARG 565.A NE THR 606.A O no hydrogen 3.107 N/A ARG 565.A NH1 ASP 457.A OD1 no hydrogen 2.668 N/A ARG 565.A NH1 GLY 486.A O no hydrogen 3.369 N/A ASN 566.A N GLY 563.A O no hydrogen 2.705 N/A ASN 566.A ND2 ASP 664.A OD1 no hydrogen 2.791 N/A ASN 566.A ND2 ASP 664.A OD2 no hydrogen 3.079 N/A TRP 567.A N ASP 562.A O no hydrogen 2.806 N/A TRP 567.A NE1 PRO 559.A O no hydrogen 2.950 N/A LYS 569.A N ILE 560.A O no hydrogen 3.117 N/A LYS 569.A NZ GLU 558.A OE1 no hydrogen 3.395 N/A GLU 577.A N GLU 577.A OE1 no hydrogen 2.986 N/A LEU 579.A N THR 575.A O no hydrogen 2.848 N/A LEU 580.A N PRO 576.A O no hydrogen 3.287 N/A LEU 581.A N GLU 577.A O no hydrogen 2.883 N/A ASP 582.A N GLU 578.A O no hydrogen 3.203 N/A ARG 583.A N LEU 579.A O no hydrogen 3.148 N/A ARG 583.A NE HIS 561.A O no hydrogen 2.937 N/A THR 584.A N LEU 580.A O no hydrogen 2.800 N/A THR 584.A OG1 TYR 564.A OH no hydrogen 2.449 N/A THR 584.A OG1 LEU 580.A O no hydrogen 3.104 N/A GLN 585.A N LEU 581.A O no hydrogen 2.977 N/A GLN 585.A N ASP 582.A O no hydrogen 3.005 N/A LEU 586.A N ASP 582.A O no hydrogen 3.058 N/A LEU 587.A N ARG 583.A O no hydrogen 3.043 N/A GLY 588.A N THR 584.A O no hydrogen 3.291 N/A GLY 588.A N GLN 585.A O no hydrogen 2.831 N/A LEU 589.A N THR 584.A O no hydrogen 3.079 N/A THR 590.A N GLU 593.A OE2 no hydrogen 3.271 N/A GLU 593.A N THR 590.A OG1 no hydrogen 3.290 N/A MET 594.A N THR 590.A O no hydrogen 2.984 N/A THR 595.A N ALA 591.A O no hydrogen 2.940 N/A THR 595.A OG1 ALA 591.A O no hydrogen 2.726 N/A VAL 596.A N PRO 592.A O no hydrogen 2.937 N/A LEU 597.A N GLU 593.A O no hydrogen 2.983 N/A ILE 598.A N MET 594.A O no hydrogen 3.350 N/A GLY 599.A N THR 595.A O no hydrogen 3.277 N/A GLY 600.A N VAL 596.A O no hydrogen 2.873 N/A LEU 601.A N LEU 597.A O no hydrogen 3.055 N/A ARG 602.A N ILE 598.A O no hydrogen 2.985 N/A ARG 602.A NE ASP 664.A OD1 no hydrogen 2.624 N/A ARG 602.A NH1 TYR 564.A O no hydrogen 2.878 N/A ARG 602.A NH2 GLY 563.A O no hydrogen 2.487 N/A ARG 602.A NH2 ASP 664.A OD1 no hydrogen 3.214 N/A LEU 604.A N GLY 600.A O no hydrogen 3.008 N/A GLY 605.A N ARG 602.A O no hydrogen 2.918 N/A THR 606.A N LEU 601.A O no hydrogen 3.327 N/A THR 606.A OG1 LEU 601.A O no hydrogen 2.522 N/A ASN 607.A ND2 THR 611.A O no hydrogen 3.461 N/A ASN 607.A ND2 HIS 613.A O no hydrogen 2.762 N/A HIS 608.A N ARG 565.A O no hydrogen 2.757 N/A GLY 609.A N GLU 488.A OE2 no hydrogen 2.708 N/A GLY 610.A N ASN 607.A O no hydrogen 3.262 N/A LYS 612.A NZ GLU 620.A OE2 no hydrogen 3.290 N/A HIS 613.A ND1 THR 659.A OG1 no hydrogen 2.700 N/A GLY 614.A N THR 659.A O no hydrogen 2.785 N/A THR 617.A N VAL 615.A O no hydrogen 2.994 N/A ARG 619.A NH2 THR 624.A OG1 no hydrogen 2.987 N/A GLY 621.A N VAL 603.A O no hydrogen 2.765 N/A LEU 623.A N ALA 525.A O no hydrogen 3.379 N/A THR 624.A OG1 VAL 622.A O no hydrogen 3.292 N/A ASN 625.A ND2 TYR 680.A O no hydrogen 3.074 N/A VAL 629.A N ASN 625.A O no hydrogen 3.020 N/A VAL 629.A N ASP 626.A O no hydrogen 3.130 N/A ASN 630.A N ASP 626.A O no hydrogen 3.013 N/A ASN 630.A ND2 PHE 616.A O no hydrogen 3.122 N/A LEU 631.A N PHE 627.A O no hydrogen 2.816 N/A THR 632.A N PHE 628.A O no hydrogen 3.402 N/A THR 632.A OG1 PHE 628.A O no hydrogen 2.876 N/A THR 632.A OG1 VAL 629.A O no hydrogen 3.143 N/A ASP 633.A N ASN 630.A O no hydrogen 3.213 N/A ASN 635.A N ASP 633.A OD1 no hydrogen 3.004 N/A ASN 635.A ND2 ASP 633.A OD1 no hydrogen 3.357 N/A TYR 636.A N ASP 633.A O no hydrogen 3.338 N/A LEU 637.A N CYS 649.A O no hydrogen 2.876 N/A LYS 639.A N GLU 647.A O no hydrogen 2.965 N/A ALA 641.A N LEU 645.A O no hydrogen 2.958 N/A LEU 645.A N GLY 642.A O no hydrogen 2.947 N/A TYR 646.A N ALA 660.A O no hydrogen 2.702 N/A GLU 647.A N LYS 639.A O no hydrogen 2.640 N/A ILE 648.A N TRP 658.A O no hydrogen 2.794 N/A CYS 649.A N LEU 637.A O no hydrogen 2.896 N/A CYS 649.A SG GLU 647.A O no hydrogen 3.440 N/A ASP 650.A N GLN 655.A O no hydrogen 3.009 N/A ARG 651.A N ASN 635.A O no hydrogen 3.076 N/A ARG 651.A NE MET 634.A O no hydrogen 3.136 N/A LYS 652.A N ASP 650.A OD1 no hydrogen 3.170 N/A LYS 652.A NZ ASN 635.A OD1 no hydrogen 2.586 N/A LYS 652.A NZ ASP 650.A OD1 no hydrogen 3.276 N/A THR 653.A N ASP 650.A OD1 no hydrogen 3.252 N/A ASN 654.A N ASP 650.A O no hydrogen 2.786 N/A GLN 655.A N THR 653.A OG1 no hydrogen 3.245 N/A LYS 657.A N ILE 648.A O no hydrogen 2.660 N/A THR 659.A OG1 HIS 613.A ND1 no hydrogen 2.700 N/A ALA 660.A N TYR 646.A O no hydrogen 2.954 N/A THR 661.A N ASP 664.A OD2 no hydrogen 2.836 N/A THR 661.A OG1 ASN 566.A OD1 no hydrogen 2.442 N/A THR 661.A OG1 ASP 664.A OD2 no hydrogen 3.156 N/A ARG 662.A NE GLU 577.A OE1 no hydrogen 2.917 N/A ARG 662.A NH1 TYR 646.A OH no hydrogen 3.541 N/A ARG 662.A NH2 GLU 577.A OE1 no hydrogen 3.469 N/A ARG 662.A NH2 GLU 577.A OE2 no hydrogen 2.653 N/A LEU 665.A N THR 661.A O no hydrogen 2.979 N/A VAL 666.A N ARG 662.A O no hydrogen 2.802 N/A PHE 667.A N ASP 664.A O no hydrogen 3.461 N/A GLY 668.A N LEU 665.A O no hydrogen 3.060 N/A SER 669.A N VAL 666.A O no hydrogen 3.344 N/A ASN 670.A N VAL 666.A O no hydrogen 3.078 N/A ILE 672.A N ASN 670.A OD1 no hydrogen 3.053 N/A LEU 673.A N ASN 670.A OD1 no hydrogen 3.401 N/A ARG 674.A N ASN 670.A O no hydrogen 2.754 N/A ARG 674.A NE GLU 678.A OE2 no hydrogen 3.213 N/A ARG 674.A NH1 GLY 668.A O no hydrogen 2.940 N/A ARG 674.A NH2 THR 632.A O no hydrogen 3.185 N/A ALA 675.A N SER 671.A O no hydrogen 3.138 N/A SER 677.A N LEU 673.A O no hydrogen 2.910 N/A SER 677.A OG PHE 667.A O no hydrogen 3.294 N/A GLU 678.A N ARG 674.A O no hydrogen 2.898 N/A LEU 679.A N ALA 675.A O no hydrogen 3.182 N/A TYR 680.A N TYR 676.A O no hydrogen 3.201 N/A TYR 680.A OH ASP 692.A OD2 no hydrogen 2.900 N/A ALA 681.A N GLU 678.A O no hydrogen 3.083 N/A GLN 682.A N LEU 679.A O no hydrogen 3.248 N/A ASN 685.A N GLN 682.A O no hydrogen 3.406 N/A ASN 685.A ND2 LEU 679.A O no hydrogen 3.196 N/A LYS 688.A NZ ASP 692.A OD2 no hydrogen 2.806 N/A PHE 689.A N ASN 685.A O no hydrogen 2.801 N/A VAL 690.A N LYS 686.A O no hydrogen 3.166 N/A ARG 691.A N GLU 687.A O no hydrogen 2.658 N/A ASP 692.A N LYS 688.A O no hydrogen 2.665 N/A PHE 693.A N PHE 689.A O no hydrogen 2.661 N/A VAL 694.A N VAL 690.A O no hydrogen 3.307 N/A VAL 694.A N ARG 691.A O no hydrogen 3.175 N/A ALA 695.A N ARG 691.A O no hydrogen 3.085 N/A ALA 696.A N ASP 692.A O no hydrogen 3.207 N/A TRP 697.A N PHE 693.A O no hydrogen 2.883 N/A THR 698.A N VAL 694.A O no hydrogen 2.893 N/A THR 698.A OG1 VAL 694.A O no hydrogen 2.711 N/A LYS 699.A N ALA 695.A O no hydrogen 2.960 N/A LYS 699.A NZ GLY 588.A O no hydrogen 3.211 N/A LYS 699.A NZ GLU 593.A OE1 no hydrogen 2.820 N/A LYS 699.A NZ GLU 593.A OE2 no hydrogen 3.038 N/A VAL 700.A N ALA 696.A O no hydrogen 3.100 N/A MET 701.A N TRP 697.A O no hydrogen 3.193 N/A MET 701.A N THR 698.A O no hydrogen 3.173 N/A ASN 702.A N THR 698.A O no hydrogen 3.003 N/A ARG 705.A NH1 ALA 538.A O no hydrogen 3.021 N/A ARG 705.A NH2 ASP 707.A OD2 no hydrogen 2.989 N/A