Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1x9w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 49.A OE2 no hydrogen 3.151 N/A ILE 2.A N LEU 55.A O no hydrogen 2.933 N/A VAL 3.A N TYR 24.A O no hydrogen 2.838 N/A SER 4.A N VAL 57.A O no hydrogen 2.781 N/A SER 4.A OG VAL 22.A O no hydrogen 2.593 N/A SER 4.A OG TYR 42.A OH no hydrogen 2.741 N/A ASP 5.A N VAL 22.A O no hydrogen 3.358 N/A ILE 6.A N ASP 65.A OD2 no hydrogen 3.290 N/A GLU 7.A N CYS 20.A O no hydrogen 2.845 N/A ASN 9.A N LYS 17.A O no hydrogen 3.028 N/A ASN 9.A ND2 THR 16.A OG1 no hydrogen 2.755 N/A SER 14.A N LEU 11.A O no hydrogen 3.034 N/A VAL 15.A N LEU 12.A O no hydrogen 3.404 N/A THR 16.A N ASN 9.A OD1 no hydrogen 2.856 N/A LYS 17.A N ASN 9.A OD1 no hydrogen 3.063 N/A PHE 18.A N GLN 76.A OE1 no hydrogen 3.034 N/A HIS 19.A N GLU 7.A O no hydrogen 2.753 N/A HIS 19.A NE2 TRP 154.A O no hydrogen 2.866 N/A CYS 20.A N GLU 7.A O no hydrogen 3.159 N/A CYS 20.A SG ASN 165.A OD1 no hydrogen 3.465 N/A GLY 21.A N TYR 34.A O no hydrogen 2.927 N/A VAL 22.A N ASP 5.A O no hydrogen 3.090 N/A ILE 23.A N VAL 32.A O no hydrogen 2.942 N/A TYR 24.A N VAL 3.A O no hydrogen 2.857 N/A ASP 25.A N GLU 30.A O no hydrogen 3.006 N/A TYR 26.A N MET 1.A O no hydrogen 3.055 N/A TYR 26.A OH GLU 177.A OE2 no hydrogen 2.990 N/A SER 27.A N ASP 25.A OD1 no hydrogen 2.892 N/A SER 27.A OG ASP 25.A OD1 no hydrogen 2.786 N/A SER 27.A OG ASP 25.A OD2 no hydrogen 3.364 N/A THR 28.A N ASP 25.A O no hydrogen 3.186 N/A THR 28.A OG1 ASP 25.A O no hydrogen 3.355 N/A ALA 29.A N ASP 25.A O no hydrogen 2.598 N/A GLU 30.A N THR 28.A OG1 no hydrogen 3.238 N/A VAL 32.A N ILE 23.A O no hydrogen 2.876 N/A TYR 34.A N GLY 21.A O no hydrogen 2.736 N/A ARG 35.A N ASP 38.A OD2 no hydrogen 2.820 N/A ARG 35.A NE GLU 159.A OE2 no hydrogen 3.338 N/A ARG 35.A NH2 GLU 159.A OE1 no hydrogen 3.474 N/A ASP 38.A N ARG 35.A O no hydrogen 2.739 N/A PHE 39.A N PRO 36.A O no hydrogen 3.494 N/A TYR 42.A N ASP 38.A O no hydrogen 2.839 N/A TYR 42.A OH SER 4.A OG no hydrogen 2.741 N/A LEU 43.A N PHE 39.A O no hydrogen 2.995 N/A ASP 44.A N GLY 40.A O no hydrogen 2.997 N/A ALA 45.A N ALA 41.A O no hydrogen 3.012 N/A LEU 46.A N TYR 42.A O no hydrogen 3.282 N/A GLU 47.A N LEU 43.A O no hydrogen 3.017 N/A ALA 48.A N ASP 44.A O no hydrogen 2.900 N/A GLU 49.A N ALA 45.A O no hydrogen 3.290 N/A VAL 50.A N LEU 46.A O no hydrogen 3.156 N/A ALA 51.A N GLU 47.A O no hydrogen 2.869 N/A ARG 52.A N ALA 48.A O no hydrogen 3.176 N/A ARG 52.A NH1 GLU 49.A OE1 no hydrogen 2.410 N/A GLY 53.A N VAL 50.A O no hydrogen 2.898 N/A GLY 54.A N GLU 49.A O no hydrogen 2.824 N/A LEU 55.A N GLU 49.A OE2 no hydrogen 3.092 N/A ILE 56.A N ASN 87.A O no hydrogen 2.713 N/A VAL 57.A N ILE 2.A O no hydrogen 2.733 N/A PHE 58.A N ILE 89.A O no hydrogen 2.918 N/A HIS 59.A ND1 THR 91.A OG1 no hydrogen 2.776 N/A ASN 60.A N ASP 90.A OD1 no hydrogen 2.680 N/A HIS 62.A N ASP 90.A OD2 no hydrogen 3.161 N/A LYS 63.A NZ GLU 222.A OE1 no hydrogen 3.343 N/A LYS 63.A NZ GLU 222.A OE2 no hydrogen 2.669 N/A LYS 63.A NZ SER 399.A OG no hydrogen 3.215 N/A LYS 63.A NZ VAL 400.A O no hydrogen 3.469 N/A TYR 64.A N ASN 60.A O no hydrogen 3.139 N/A TYR 64.A OH ALA 10.A O no hydrogen 2.803 N/A VAL 66.A N GLY 61.A O no hydrogen 2.914 N/A ALA 68.A N TYR 64.A O no hydrogen 2.817 N/A LEU 69.A N ASP 65.A O no hydrogen 3.000 N/A THR 70.A N VAL 66.A O no hydrogen 3.301 N/A THR 70.A OG1 VAL 66.A O no hydrogen 3.451 N/A THR 70.A OG1 PHE 81.A O no hydrogen 2.702 N/A LYS 71.A N PRO 67.A O no hydrogen 3.026 N/A LYS 71.A NZ LEU 12.A O no hydrogen 2.921 N/A LEU 72.A N ALA 68.A O no hydrogen 2.704 N/A ALA 73.A N LEU 69.A O no hydrogen 2.750 N/A LYS 74.A N THR 70.A O no hydrogen 3.190 N/A LYS 74.A NZ GLU 80.A OE2 no hydrogen 3.338 N/A LEU 75.A N LYS 71.A O no hydrogen 3.006 N/A GLN 76.A N LEU 72.A O no hydrogen 2.828 N/A LEU 77.A N ALA 73.A O no hydrogen 2.992 N/A ASN 78.A N LYS 74.A O no hydrogen 2.994 N/A ARG 79.A N ALA 73.A O no hydrogen 3.011 N/A ARG 79.A NH1 ASP 44.A OD1 no hydrogen 3.020 N/A ARG 79.A NH2 GLY 40.A O no hydrogen 3.233 N/A ARG 79.A NH2 ASP 44.A OD1 no hydrogen 3.026 N/A HIS 82.A NE2 GLU 80.A OE1 no hydrogen 3.085 N/A GLU 86.A N GLU 86.A OE1 no hydrogen 2.782 N/A ASN 87.A N PRO 84.A O no hydrogen 3.096 N/A ASN 87.A ND2 GLY 54.A O no hydrogen 2.998 N/A CYS 88.A N ARG 85.A O no hydrogen 3.097 N/A CYS 88.A SG PRO 84.A O no hydrogen 3.430 N/A ILE 89.A N ILE 56.A O no hydrogen 2.862 N/A ASP 90.A N HIS 212.A NE2 no hydrogen 2.988 N/A THR 91.A N PHE 58.A O no hydrogen 2.994 N/A THR 91.A OG1 HIS 59.A ND1 no hydrogen 2.776 N/A LEU 92.A N ASP 90.A OD1 no hydrogen 2.789 N/A VAL 93.A N ASP 90.A OD1 no hydrogen 3.322 N/A LEU 94.A N ASP 90.A O no hydrogen 2.896 N/A SER 95.A N THR 91.A O no hydrogen 2.753 N/A SER 95.A OG THR 91.A O no hydrogen 2.624 N/A ARG 96.A N LEU 92.A O no hydrogen 2.907 N/A ARG 96.A NE ASP 104.A OD2 no hydrogen 2.723 N/A ARG 96.A NH2 ASP 104.A OD1 no hydrogen 3.001 N/A ARG 96.A NH2 ASP 104.A OD2 no hydrogen 3.416 N/A ARG 96.A NH2 ASP 106.A OD1 no hydrogen 2.948 N/A LEU 97.A N VAL 93.A O no hydrogen 3.262 N/A LEU 97.A N LEU 94.A O no hydrogen 3.239 N/A ILE 98.A N LEU 94.A O no hydrogen 2.991 N/A HIS 99.A N SER 95.A O no hydrogen 2.828 N/A SER 100.A OG LEU 97.A O no hydrogen 3.495 N/A LEU 102.A N HIS 99.A O no hydrogen 2.994 N/A ASP 106.A N ASP 104.A OD1 no hydrogen 2.634 N/A GLY 108.A N THR 105.A OG1 no hydrogen 3.078 N/A LEU 110.A N THR 105.A O no hydrogen 2.939 N/A LYS 114.A N ARG 111.A O no hydrogen 3.292 N/A LEU 115.A N SER 112.A O no hydrogen 3.111 N/A TRP 122.A N GLU 120.A OE2 no hydrogen 2.981 N/A GLY 123.A N GLU 120.A OE1 no hydrogen 2.734 N/A TYR 124.A N GLU 120.A O no hydrogen 2.987 N/A ARG 125.A N ALA 121.A O no hydrogen 3.015 N/A LEU 126.A N TRP 122.A O no hydrogen 2.971 N/A GLY 127.A N GLY 123.A O no hydrogen 3.058 N/A GLU 128.A N TYR 124.A O no hydrogen 3.085 N/A GLU 128.A N ARG 125.A O no hydrogen 3.312 N/A MET 129.A N LEU 126.A O no hydrogen 3.401 N/A GLU 132.A N GLU 128.A O no hydrogen 2.936 N/A TYR 133.A N MET 129.A O no hydrogen 2.877 N/A TYR 133.A OH GLU 153.A O no hydrogen 2.504 N/A LYS 134.A N LYS 130.A O no hydrogen 2.980 N/A ASP 135.A N GLY 131.A O no hydrogen 2.934 N/A ASP 136.A N GLU 132.A O no hydrogen 3.089 N/A PHE 137.A N TYR 133.A O no hydrogen 2.951 N/A LYS 138.A N LYS 134.A O no hydrogen 2.881 N/A ARG 139.A N ASP 135.A O no hydrogen 3.015 N/A MET 140.A N ASP 136.A O no hydrogen 2.791 N/A LEU 141.A N PHE 137.A O no hydrogen 2.893 N/A GLU 142.A N LYS 138.A O no hydrogen 3.013 N/A GLU 143.A N ARG 139.A O no hydrogen 3.262 N/A GLN 144.A N LEU 141.A O no hydrogen 2.619 N/A GLY 145.A N GLU 142.A O no hydrogen 2.974 N/A GLU 146.A N LEU 141.A O no hydrogen 3.460 N/A TYR 148.A OH ASP 150.A O no hydrogen 2.554 N/A TYR 148.A OH GLU 153.A OE1 no hydrogen 2.609 N/A MET 152.A N VAL 149.A O no hydrogen 3.056 N/A GLU 153.A N GLU 153.A OE1 no hydrogen 2.659 N/A TRP 154.A N GLY 151.A O no hydrogen 3.060 N/A TRP 155.A N MET 152.A O no hydrogen 3.140 N/A ASN 158.A ND2 TYR 133.A OH no hydrogen 2.791 N/A ASN 158.A ND2 ASN 156.A O no hydrogen 3.675 N/A MET 161.A N ASN 158.A OD1 no hydrogen 2.818 N/A MET 162.A N ASN 158.A O no hydrogen 3.223 N/A ASP 163.A N GLU 159.A O no hydrogen 2.967 N/A TYR 164.A N GLU 160.A O no hydrogen 3.073 N/A TYR 164.A OH ASP 136.A OD2 no hydrogen 3.155 N/A ASN 165.A N MET 161.A O no hydrogen 2.942 N/A ASN 165.A ND2 ASP 5.A O no hydrogen 3.029 N/A VAL 166.A N MET 162.A O no hydrogen 3.003 N/A GLN 167.A N ASP 163.A O no hydrogen 3.057 N/A ASP 168.A N TYR 164.A O no hydrogen 2.937 N/A VAL 169.A N ASN 165.A O no hydrogen 3.385 N/A VAL 170.A N VAL 166.A O no hydrogen 3.087 N/A VAL 171.A N GLN 167.A O no hydrogen 2.934 N/A THR 172.A N ASP 168.A O no hydrogen 2.668 N/A THR 172.A OG1 ASP 168.A O no hydrogen 2.593 N/A LYS 173.A N VAL 169.A O no hydrogen 2.968 N/A LYS 173.A NZ GLU 177.A OE2 no hydrogen 2.725 N/A ALA 174.A N VAL 170.A O no hydrogen 3.064 N/A LEU 175.A N VAL 171.A O no hydrogen 2.736 N/A LEU 176.A N THR 172.A O no hydrogen 2.762 N/A GLU 177.A N LYS 173.A O no hydrogen 3.023 N/A LYS 178.A N ALA 174.A O no hydrogen 3.095 N/A LYS 178.A NZ GLU 120.A OE2 no hydrogen 3.010 N/A LEU 179.A N LEU 175.A O no hydrogen 2.965 N/A LEU 180.A N LEU 176.A O no hydrogen 2.809 N/A SER 181.A N LYS 178.A O no hydrogen 3.229 N/A SER 181.A OG GLU 177.A O no hydrogen 3.447 N/A SER 181.A OG LYS 178.A O no hydrogen 2.546 N/A ASP 182.A N LEU 179.A O no hydrogen 3.166 N/A HIS 184.A N ASP 182.A OD1 no hydrogen 2.967 N/A HIS 184.A NE2 GLY 567.A O no hydrogen 2.644 N/A TYR 185.A N ASP 182.A O no hydrogen 3.007 N/A PHE 186.A N ASP 182.A O no hydrogen 2.851 N/A ILE 190.A N PRO 187.A O no hydrogen 3.211 N/A THR 193.A N ASP 191.A OD1 no hydrogen 3.054 N/A THR 193.A OG1 ASP 191.A OD1 no hydrogen 2.662 N/A ASP 194.A N ASP 191.A O no hydrogen 3.119 N/A TYR 197.A N GLY 53.A O no hydrogen 3.077 N/A PHE 200.A N GLY 196.A O no hydrogen 3.055 N/A TRP 201.A N TYR 197.A O no hydrogen 3.107 N/A TRP 201.A NE1 GLU 86.A O no hydrogen 2.784 N/A SER 202.A N THR 198.A O no hydrogen 3.172 N/A SER 202.A OG THR 198.A O no hydrogen 3.120 N/A SER 202.A OG THR 199.A O no hydrogen 3.539 N/A GLU 203.A N THR 199.A O no hydrogen 2.906 N/A SER 204.A OG PHE 200.A O no hydrogen 2.654 N/A SER 204.A OG TRP 201.A O no hydrogen 3.551 N/A LEU 205.A N TYR 185.A O no hydrogen 2.959 N/A VAL 208.A N LEU 205.A O no hydrogen 2.846 N/A ILE 210.A N GLU 206.A O no hydrogen 3.000 N/A GLU 211.A N ALA 207.A O no hydrogen 2.961 N/A HIS 212.A N VAL 208.A O no hydrogen 3.299 N/A HIS 212.A ND1 VAL 208.A O no hydrogen 2.965 N/A ARG 213.A N ASP 209.A O no hydrogen 3.121 N/A ARG 213.A NE ASP 209.A OD1 no hydrogen 3.276 N/A ARG 213.A NE ASP 209.A OD2 no hydrogen 3.349 N/A ARG 213.A NH1 GLU 600.A OE2 no hydrogen 3.345 N/A ALA 214.A N ILE 210.A O no hydrogen 2.959 N/A ALA 215.A N GLU 211.A O no hydrogen 2.904 N/A TRP 216.A N HIS 212.A O no hydrogen 2.962 N/A LEU 217.A N ARG 213.A O no hydrogen 2.923 N/A LEU 218.A N ALA 214.A O no hydrogen 2.907 N/A ALA 219.A N ALA 215.A O no hydrogen 3.031 N/A LYS 220.A N TRP 216.A O no hydrogen 3.374 N/A LYS 220.A NZ HIS 609.A O no hydrogen 2.626 N/A GLN 221.A N LEU 217.A O no hydrogen 2.993 N/A GLU 222.A N LEU 218.A O no hydrogen 2.929 N/A ARG 223.A N ALA 219.A O no hydrogen 3.037 N/A ASN 224.A N LYS 220.A O no hydrogen 2.767 N/A ASN 224.A ND2 HIS 609.A NE2 no hydrogen 3.144 N/A ASN 224.A ND2 TYR 617.A O no hydrogen 3.113 N/A GLY 225.A N GLN 221.A O no hydrogen 3.029 N/A PHE 226.A N ILE 396.A O no hydrogen 2.855 N/A PHE 228.A N GLY 394.A O no hydrogen 2.897 N/A ASP 229.A N ALA 434.A O no hydrogen 2.868 N/A THR 230.A N PHE 228.A O no hydrogen 3.247 N/A ALA 232.A N ASP 229.A OD1 no hydrogen 3.267 N/A ILE 233.A N ASP 229.A O no hydrogen 3.249 N/A ILE 233.A N THR 230.A O no hydrogen 2.946 N/A GLU 234.A N THR 230.A O no hydrogen 2.833 N/A GLU 235.A N LYS 231.A O no hydrogen 3.072 N/A LEU 236.A N ALA 232.A O no hydrogen 3.134 N/A TYR 237.A N ILE 233.A O no hydrogen 2.879 N/A TYR 237.A OH GLU 381.A OE2 no hydrogen 2.635 N/A VAL 238.A N GLU 234.A O no hydrogen 3.181 N/A GLU 239.A N GLU 235.A O no hydrogen 3.075 N/A LEU 240.A N LEU 236.A O no hydrogen 2.813 N/A ALA 241.A N TYR 237.A O no hydrogen 2.875 N/A ALA 242.A N VAL 238.A O no hydrogen 3.103 N/A ARG 243.A N GLU 239.A O no hydrogen 3.237 N/A ARG 243.A NE GLU 368.A OE2 no hydrogen 2.483 N/A ARG 243.A NH2 GLU 368.A OE1 no hydrogen 2.748 N/A ARG 243.A NH2 GLU 368.A OE2 no hydrogen 2.880 N/A ARG 244.A N LEU 240.A O no hydrogen 2.877 N/A ARG 244.A NH1 GLN 373.A OE1 no hydrogen 2.562 N/A ARG 244.A NH1 GLU 381.A OE1 no hydrogen 2.975 N/A ARG 244.A NH1 GLU 381.A OE2 no hydrogen 3.212 N/A ARG 244.A NH2 GLU 381.A OE2 no hydrogen 2.787 N/A SER 245.A N ALA 241.A O no hydrogen 3.109 N/A SER 245.A OG ALA 241.A O no hydrogen 3.215 N/A GLU 246.A N ALA 242.A O no hydrogen 3.055 N/A LEU 247.A N ARG 243.A O no hydrogen 2.963 N/A LEU 248.A N ARG 244.A O no hydrogen 2.878 N/A ARG 249.A N SER 245.A O no hydrogen 2.825 N/A ARG 249.A NE GLU 246.A OE1 no hydrogen 3.227 N/A ARG 249.A NE GLU 246.A OE2 no hydrogen 3.046 N/A ARG 249.A NH2 GLU 246.A OE2 no hydrogen 2.595 N/A LYS 250.A N GLU 246.A O no hydrogen 3.041 N/A LEU 251.A N LEU 247.A O no hydrogen 3.019 N/A THR 252.A N LEU 248.A O no hydrogen 2.842 N/A THR 252.A OG1 LEU 248.A O no hydrogen 2.853 N/A THR 252.A OG1 ARG 249.A O no hydrogen 3.259 N/A THR 254.A N LYS 250.A O no hydrogen 3.363 N/A THR 254.A OG1 LYS 250.A O no hydrogen 3.034 N/A THR 254.A OG1 GLU 358.A OE2 no hydrogen 2.644 N/A PHE 255.A N LEU 251.A O no hydrogen 2.770 N/A SER 257.A OG HIS 311.A NE2 no hydrogen 2.475 N/A TRP 258.A N VAL 312.A O no hydrogen 3.142 N/A TRP 258.A NE1 GLN 260.A OE1 no hydrogen 2.927 N/A GLN 260.A N GLU 310.A O no hydrogen 3.111 N/A LYS 262.A N PRO 308.A O no hydrogen 2.753 N/A THR 265.A N ILE 283.A O no hydrogen 3.230 N/A GLU 266.A N ILE 283.A O no hydrogen 3.076 N/A CYS 269.A SG MET 267.A O no hydrogen 3.698 N/A HIS 270.A N LYS 275.A O no hydrogen 2.836 N/A LEU 277.A N PHE 268.A O no hydrogen 2.732 N/A TYR 280.A N LEU 277.A O no hydrogen 2.964 N/A ILE 283.A N GLU 266.A O no hydrogen 2.904 N/A LYS 284.A N TYR 306.A O no hydrogen 2.940 N/A THR 285.A N GLU 266.A OE1 no hydrogen 2.870 N/A THR 285.A OG1 GLU 266.A OE1 no hydrogen 3.322 N/A THR 285.A OG1 GLU 266.A OE2 no hydrogen 2.589 N/A GLY 290.A N ASP 296.A OD1 no hydrogen 3.242 N/A ASP 296.A N ILE 291.A O no hydrogen 2.878 N/A ARG 298.A N ASP 296.A OD2 no hydrogen 2.820 N/A ALA 302.A N GLY 289.A O no hydrogen 3.375 N/A ALA 304.A N VAL 301.A O no hydrogen 2.920 N/A TYR 306.A N LYS 284.A O no hydrogen 3.263 N/A GLU 310.A N GLN 260.A O no hydrogen 2.888 N/A HIS 311.A NE2 SER 257.A OG no hydrogen 2.475 N/A VAL 312.A N TRP 258.A O no hydrogen 2.949 N/A ASN 315.A N HIS 321.A ND1 no hydrogen 2.850 N/A SER 317.A N ASN 315.A OD1 no hydrogen 3.118 N/A SER 318.A N ASN 315.A O no hydrogen 2.881 N/A ARG 319.A NH1 VAL 344.A O no hydrogen 2.882 N/A HIS 321.A N SER 318.A OG no hydrogen 2.900 N/A ILE 322.A N SER 318.A O no hydrogen 2.929 N/A GLN 323.A N ARG 319.A O no hydrogen 2.837 N/A LYS 324.A N ASP 320.A O no hydrogen 2.948 N/A LYS 324.A NZ GLU 328.A OE2 no hydrogen 2.867 N/A LYS 325.A N HIS 321.A O no hydrogen 3.086 N/A LYS 325.A NZ GLY 256.A O no hydrogen 2.585 N/A LEU 326.A N ILE 322.A O no hydrogen 3.128 N/A GLN 327.A N GLN 323.A O no hydrogen 3.414 N/A GLN 327.A NE2 GLN 323.A O no hydrogen 3.408 N/A GLU 328.A N LYS 324.A O no hydrogen 3.166 N/A ALA 329.A N LEU 326.A O no hydrogen 3.170 N/A GLY 330.A N GLN 327.A O no hydrogen 2.735 N/A TRP 331.A N LEU 326.A O no hydrogen 2.866 N/A TYR 336.A OH PRO 333.A O no hydrogen 3.404 N/A THR 337.A N ALA 341.A O no hydrogen 2.690 N/A THR 337.A OG1 ALA 341.A O no hydrogen 2.855 N/A LYS 339.A N THR 337.A O no hydrogen 2.853 N/A GLY 340.A N THR 337.A O no hydrogen 3.324 N/A VAL 343.A N LYS 335.A O no hydrogen 2.885 N/A VAL 348.A N ASP 345.A OD1 no hydrogen 3.124 N/A LEU 349.A N ASP 345.A O no hydrogen 2.884 N/A GLU 350.A N ASP 346.A O no hydrogen 3.014 N/A GLY 351.A N VAL 348.A O no hydrogen 2.694 N/A VAL 352.A N LEU 349.A O no hydrogen 3.363 N/A ARG 353.A NH1 GLU 350.A O no hydrogen 2.918 N/A ARG 353.A NH1 VAL 352.A O no hydrogen 2.676 N/A VAL 354.A N GLN 360.A OE1 no hydrogen 2.680 N/A GLU 358.A N ASP 356.A OD1 no hydrogen 2.729 N/A LYS 359.A N ASP 356.A OD1 no hydrogen 3.423 N/A GLN 360.A N ASP 356.A O no hydrogen 2.939 N/A GLN 360.A NE2 VAL 352.A O no hydrogen 3.339 N/A GLN 360.A NE2 GLN 360.A O no hydrogen 3.573 N/A ALA 361.A N PRO 357.A O no hydrogen 2.919 N/A ALA 362.A N GLU 358.A O no hydrogen 2.891 N/A ILE 363.A N GLN 360.A O no hydrogen 3.340 N/A ASP 364.A N ALA 361.A O no hydrogen 3.249 N/A ILE 366.A N ALA 362.A O no hydrogen 2.979 N/A LYS 367.A N ILE 363.A O no hydrogen 2.914 N/A LYS 367.A NZ ASP 346.A OD2 no hydrogen 3.456 N/A LYS 367.A NZ GLU 350.A OE1 no hydrogen 2.823 N/A GLU 368.A N ASP 364.A O no hydrogen 2.865 N/A TYR 369.A N LEU 365.A O no hydrogen 2.808 N/A LEU 370.A N ILE 366.A O no hydrogen 2.956 N/A MET 371.A N LYS 367.A O no hydrogen 3.129 N/A ILE 372.A N GLU 368.A O no hydrogen 2.909 N/A GLN 373.A N TYR 369.A O no hydrogen 3.050 N/A GLN 373.A NE2 GLN 373.A O no hydrogen 3.053 N/A LYS 374.A N LEU 370.A O no hydrogen 3.003 N/A ARG 375.A N MET 371.A O no hydrogen 3.127 N/A ARG 375.A NE PRO 426.A O no hydrogen 2.870 N/A ARG 375.A NH2 PRO 426.A O no hydrogen 3.179 N/A ILE 376.A N ILE 372.A O no hydrogen 2.838 N/A GLY 377.A N GLN 373.A O no hydrogen 2.773 N/A GLN 378.A N LYS 374.A O no hydrogen 3.100 N/A GLN 378.A NE2 GLN 419.A O no hydrogen 2.883 N/A SER 379.A N ARG 375.A O no hydrogen 2.975 N/A SER 379.A OG ARG 375.A O no hydrogen 2.644 N/A ALA 380.A N ILE 376.A O no hydrogen 2.808 N/A GLU 381.A N ILE 376.A O no hydrogen 2.785 N/A ALA 385.A N GLY 382.A O no hydrogen 3.108 N/A TRP 386.A N GLN 378.A O no hydrogen 3.211 N/A LEU 387.A N SER 379.A O no hydrogen 3.094 N/A ARG 388.A N ALA 385.A O no hydrogen 3.164 N/A ARG 388.A NE GLY 382.A O no hydrogen 2.521 N/A ARG 388.A NH2 GLU 381.A O no hydrogen 2.681 N/A TYR 389.A N TRP 386.A O no hydrogen 3.043 N/A VAL 390.A N TRP 386.A O no hydrogen 3.115 N/A ALA 391.A N LYS 395.A O no hydrogen 2.935 N/A GLY 394.A N ALA 391.A O no hydrogen 3.222 N/A LYS 395.A N ASP 393.A OD1 no hydrogen 2.923 N/A LYS 395.A NZ ASP 393.A O no hydrogen 3.070 N/A LYS 395.A NZ HIS 440.A ND1 no hydrogen 2.790 N/A ILE 396.A N PHE 226.A O no hydrogen 2.978 N/A HIS 397.A ND1 GLU 222.A O no hydrogen 2.775 N/A HIS 397.A NE2 ASP 393.A OD1 no hydrogen 3.329 N/A HIS 397.A NE2 ASP 393.A OD2 no hydrogen 2.852 N/A SER 399.A N ALA 413.A O no hydrogen 2.795 N/A VAL 400.A N GLU 222.A OE2 no hydrogen 2.971 N/A ASN 401.A N THR 411.A O no hydrogen 2.793 N/A ASN 403.A N ASN 401.A OD1 no hydrogen 3.220 N/A ASN 403.A ND2 ARG 96.A O no hydrogen 2.882 N/A GLY 404.A N ASN 401.A O no hydrogen 3.080 N/A ALA 405.A N ARG 409.A O no hydrogen 2.977 N/A THR 407.A OG1 GLN 584.A OE1 no hydrogen 2.940 N/A GLY 408.A N ALA 405.A O no hydrogen 3.015 N/A THR 411.A N ASN 401.A O no hydrogen 2.915 N/A HIS 412.A NE2 TRP 620.A O no hydrogen 2.697 N/A ALA 413.A N SER 399.A O no hydrogen 3.035 N/A ALA 418.A N ASN 416.A OD1 no hydrogen 2.605 N/A GLN 419.A N ASN 416.A O no hydrogen 3.436 N/A SER 425.A N GLY 422.A O no hydrogen 2.992 N/A SER 425.A OG GLY 422.A O no hydrogen 3.060 N/A GLY 428.A N SER 425.A O no hydrogen 2.819 N/A CYS 431.A N TYR 427.A O no hydrogen 3.028 N/A CYS 431.A SG TYR 427.A O no hydrogen 3.329 N/A ARG 432.A N GLY 428.A O no hydrogen 2.802 N/A ARG 432.A NH1 PRO 421.A O no hydrogen 3.173 N/A ALA 433.A N GLU 429.A O no hydrogen 2.796 N/A ALA 434.A N CYS 431.A O no hydrogen 3.174 N/A PHE 435.A N ARG 432.A O no hydrogen 3.139 N/A GLY 436.A N PRO 227.A O no hydrogen 3.119 N/A ALA 437.A N GLN 451.A OE1 no hydrogen 3.087 N/A GLU 438.A N PRO 667.A O no hydrogen 2.954 N/A HIS 439.A N GLY 436.A O no hydrogen 3.014 N/A HIS 439.A NE2 ALA 433.A O no hydrogen 2.827 N/A HIS 440.A N ALA 437.A O no hydrogen 2.972 N/A ASP 442.A N LYS 447.A O no hydrogen 2.823 N/A ILE 444.A N ASP 442.A OD2 no hydrogen 2.843 N/A THR 445.A N ASP 442.A OD2 no hydrogen 2.813 N/A THR 445.A OG1 ASP 442.A OD2 no hydrogen 3.354 N/A GLY 446.A N ASP 442.A O no hydrogen 2.787 N/A LYS 447.A N THR 445.A OG1 no hydrogen 3.184 N/A TRP 449.A N HIS 440.A O no hydrogen 3.026 N/A TRP 449.A NE1 ASP 442.A OD1 no hydrogen 3.161 N/A VAL 450.A N CYS 629.A O no hydrogen 2.746 N/A GLN 451.A N GLY 666.A O no hydrogen 2.637 N/A GLN 451.A NE2 GLN 626.A OE1 no hydrogen 2.707 N/A ALA 452.A N VAL 627.A O no hydrogen 2.782 N/A GLY 453.A N LYS 664.A O no hydrogen 2.819 N/A ILE 454.A N ILE 625.A O no hydrogen 2.972 N/A ASP 455.A N GLU 662.A O no hydrogen 3.135 N/A ALA 456.A N ASP 623.A O no hydrogen 2.809 N/A SER 457.A N ASP 660.A O no hydrogen 2.920 N/A ARG 462.A N GLY 458.A O no hydrogen 3.129 N/A ARG 462.A NH1 LEU 658.A O no hydrogen 2.663 N/A ARG 462.A NH1 ASP 660.A OD2 no hydrogen 3.061 N/A CYS 463.A N LEU 459.A O no hydrogen 2.971 N/A CYS 463.A SG LEU 459.A O no hydrogen 3.352 N/A LEU 464.A N GLU 460.A O no hydrogen 3.179 N/A ALA 465.A N LEU 461.A O no hydrogen 2.883 N/A HIS 466.A N ARG 462.A O no hydrogen 2.886 N/A PHE 467.A N CYS 463.A O no hydrogen 3.195 N/A MET 468.A N LEU 464.A O no hydrogen 3.053 N/A ALA 469.A N HIS 466.A O no hydrogen 3.207 N/A PHE 471.A N MET 468.A O no hydrogen 2.809 N/A ASP 472.A N MET 468.A O no hydrogen 2.785 N/A GLY 474.A N ASP 472.A OD1 no hydrogen 3.306 N/A GLU 475.A N ASP 472.A O no hydrogen 3.179 N/A TYR 476.A N ASP 472.A OD2 no hydrogen 2.421 N/A TYR 476.A OH ASN 489.A OD1 no hydrogen 2.763 N/A HIS 478.A N GLY 474.A O no hydrogen 2.719 N/A GLU 479.A N GLU 475.A O no hydrogen 3.022 N/A ILE 480.A N TYR 476.A O no hydrogen 3.158 N/A LEU 481.A N ALA 477.A O no hydrogen 3.405 N/A ASN 482.A ND2 HIS 478.A O no hydrogen 3.074 N/A GLY 483.A N GLU 479.A O no hydrogen 2.861 N/A ASP 484.A N GLU 479.A OE1 no hydrogen 3.131 N/A THR 487.A N ASP 484.A O no hydrogen 3.080 N/A THR 487.A OG1 ASP 484.A O no hydrogen 2.759 N/A LYS 488.A N ASP 484.A O no hydrogen 3.059 N/A ASN 489.A N ILE 485.A O no hydrogen 2.703 N/A GLN 490.A N HIS 486.A O no hydrogen 3.136 N/A ILE 491.A N THR 487.A O no hydrogen 2.979 N/A ALA 492.A N LYS 488.A O no hydrogen 3.348 N/A ALA 493.A N ASN 489.A O no hydrogen 2.793 N/A ALA 493.A N GLN 490.A O no hydrogen 3.114 N/A GLU 494.A N ILE 491.A O no hydrogen 2.992 N/A LEU 495.A N GLN 490.A O no hydrogen 3.088 N/A THR 497.A N ASN 500.A OD1 no hydrogen 3.479 N/A LYS 502.A N ARG 498.A O no hydrogen 3.410 N/A THR 503.A N ASP 499.A O no hydrogen 3.323 N/A PHE 504.A N ASN 500.A O no hydrogen 2.803 N/A ILE 505.A N ALA 501.A O no hydrogen 2.693 N/A TYR 506.A N LYS 502.A O no hydrogen 3.244 N/A GLY 507.A N THR 503.A O no hydrogen 3.050 N/A PHE 508.A N PHE 504.A O no hydrogen 2.627 N/A LEU 509.A N ILE 505.A O no hydrogen 2.950 N/A TYR 510.A N GLY 507.A O no hydrogen 2.944 N/A ILE 517.A N GLY 513.A O no hydrogen 2.807 N/A GLY 518.A N ASP 514.A O no hydrogen 2.650 N/A GLN 519.A N GLU 515.A O no hydrogen 2.783 N/A GLY 522.A N ILE 520.A O no hydrogen 2.466 N/A LYS 533.A N GLU 530.A O no hydrogen 3.209 N/A LYS 534.A N GLU 530.A O no hydrogen 2.879 N/A PHE 535.A N LEU 531.A O no hydrogen 3.214 N/A GLU 537.A N LYS 533.A O no hydrogen 3.058 N/A ASN 538.A N LYS 534.A O no hydrogen 3.222 N/A ASN 538.A ND2 ALA 492.A O no hydrogen 2.718 N/A THR 539.A OG1 PHE 535.A O no hydrogen 3.007 N/A ILE 542.A N THR 539.A O no hydrogen 3.143 N/A ALA 544.A N PRO 540.A O no hydrogen 2.852 N/A LEU 545.A N ALA 541.A O no hydrogen 2.846 N/A ARG 546.A N ILE 542.A O no hydrogen 2.972 N/A GLU 547.A N ALA 543.A O no hydrogen 3.050 N/A SER 548.A N ALA 544.A O no hydrogen 3.067 N/A SER 548.A OG ALA 544.A O no hydrogen 3.450 N/A SER 548.A OG LEU 545.A O no hydrogen 2.708 N/A ILE 549.A N LEU 545.A O no hydrogen 3.023 N/A GLN 550.A N ARG 546.A O no hydrogen 3.106 N/A GLN 550.A NE2 PRO 575.A O no hydrogen 2.918 N/A GLN 551.A N GLU 547.A O no hydrogen 3.045 N/A THR 552.A N ILE 549.A O no hydrogen 3.352 N/A THR 552.A OG1 SER 548.A O no hydrogen 3.140 N/A LEU 553.A N GLN 550.A O no hydrogen 2.851 N/A VAL 554.A N GLN 550.A O no hydrogen 2.794 N/A LYS 558.A N LEU 553.A O no hydrogen 2.867 N/A LYS 558.A NZ GLN 551.A O no hydrogen 2.963 N/A LYS 558.A NZ VAL 554.A O no hydrogen 3.004 N/A ARG 559.A N LEU 553.A O no hydrogen 3.392 N/A ARG 559.A NH1 TRP 561.A O no hydrogen 3.506 N/A ARG 560.A NH2 ARG 573.A O no hydrogen 3.075 N/A ILE 562.A N VAL 570.A O no hydrogen 2.869 N/A GLY 564.A N ARG 568.A O no hydrogen 2.838 N/A GLY 567.A N GLY 564.A O no hydrogen 2.821 N/A ARG 568.A N ASP 566.A OD1 no hydrogen 3.123 N/A ARG 568.A NH1 GLU 211.A OE2 no hydrogen 2.938 N/A ARG 568.A NH1 ASP 566.A OD2 no hydrogen 2.767 N/A ARG 568.A NH2 GLU 211.A OE2 no hydrogen 2.722 N/A LYS 569.A N TYR 185.A OH no hydrogen 3.191 N/A VAL 570.A N ILE 562.A O no hydrogen 2.673 N/A VAL 572.A N ARG 560.A O no hydrogen 3.030 N/A HIS 576.A N SER 574.A OG no hydrogen 3.148 N/A ALA 577.A N SER 574.A O no hydrogen 2.847 N/A ASN 580.A ND2 LEU 509.A O no hydrogen 2.980 N/A THR 581.A N ALA 577.A O no hydrogen 2.758 N/A THR 581.A OG1 ALA 577.A O no hydrogen 3.007 N/A LEU 582.A N ALA 578.A O no hydrogen 2.821 N/A LEU 583.A N LEU 579.A O no hydrogen 2.878 N/A GLN 584.A N ASN 580.A O no hydrogen 2.795 N/A SER 585.A N THR 581.A O no hydrogen 2.967 N/A SER 585.A OG THR 407.A O no hydrogen 2.893 N/A ALA 586.A N LEU 582.A O no hydrogen 3.136 N/A GLY 587.A N LEU 583.A O no hydrogen 2.975 N/A ALA 588.A N GLN 584.A O no hydrogen 2.883 N/A LEU 589.A N SER 585.A O no hydrogen 2.956 N/A ILE 590.A N ALA 586.A O no hydrogen 2.945 N/A CYS 591.A N GLY 587.A O no hydrogen 2.947 N/A CYS 591.A SG GLY 587.A O no hydrogen 3.412 N/A LYS 592.A N ALA 588.A O no hydrogen 2.882 N/A LYS 592.A NZ GLU 211.A OE1 no hydrogen 3.498 N/A LYS 592.A NZ GLU 211.A OE2 no hydrogen 2.847 N/A LYS 592.A NZ PRO 402.A O no hydrogen 2.728 N/A LYS 592.A NZ GLY 408.A O no hydrogen 2.776 N/A LEU 593.A N LEU 589.A O no hydrogen 3.012 N/A TRP 594.A N ILE 590.A O no hydrogen 2.829 N/A TRP 594.A NE1 ALA 642.A O no hydrogen 2.811 N/A ILE 595.A N CYS 591.A O no hydrogen 3.076 N/A ILE 596.A N LYS 592.A O no hydrogen 3.211 N/A LYS 597.A N LEU 593.A O no hydrogen 2.829 N/A THR 598.A N TRP 594.A O no hydrogen 2.930 N/A THR 598.A OG1 TRP 594.A O no hydrogen 2.699 N/A GLU 599.A N ILE 595.A O no hydrogen 3.276 N/A GLU 600.A N ILE 596.A O no hydrogen 3.024 N/A MET 601.A N LYS 597.A O no hydrogen 2.826 N/A LEU 602.A N THR 598.A O no hydrogen 3.047 N/A VAL 603.A N GLU 599.A O no hydrogen 3.017 N/A GLU 604.A N GLU 600.A O no hydrogen 2.923 N/A LYS 605.A N LEU 602.A O no hydrogen 3.020 N/A LYS 605.A NZ THR 641.A OG1 no hydrogen 2.809 N/A LYS 605.A NZ GLU 644.A OE2 no hydrogen 3.251 N/A GLY 606.A N VAL 603.A O no hydrogen 3.170 N/A LEU 607.A N LEU 602.A O no hydrogen 3.127 N/A LYS 608.A N ASP 614.A OD2 no hydrogen 2.671 N/A HIS 609.A ND1 GLU 599.A OE2 no hydrogen 2.739 N/A GLY 610.A N PHE 615.A O no hydrogen 2.705 N/A TRP 611.A NE1 ASN 224.A O no hydrogen 2.710 N/A GLY 613.A N GLY 610.A O no hydrogen 2.855 N/A ASP 614.A N LYS 608.A O no hydrogen 2.794 N/A PHE 615.A N LYS 608.A O no hydrogen 3.218 N/A ALA 616.A N GLY 628.A O no hydrogen 2.760 N/A TYR 617.A N HIS 609.A NE2 no hydrogen 3.138 N/A TYR 617.A OH ILE 595.A O no hydrogen 2.807 N/A MET 618.A N GLN 626.A O no hydrogen 2.959 N/A ALA 619.A N GLN 626.A O no hydrogen 3.353 N/A TRP 620.A NE1 HIS 622.A O no hydrogen 2.910 N/A VAL 621.A N GLU 624.A O no hydrogen 2.948 N/A ILE 625.A N ILE 454.A O no hydrogen 2.822 N/A GLN 626.A N ALA 619.A O no hydrogen 3.013 N/A GLN 626.A NE2 GLU 624.A OE1 no hydrogen 2.934 N/A GLN 626.A NE2 CYS 672.A O no hydrogen 3.665 N/A VAL 627.A N ALA 452.A O no hydrogen 2.954 N/A GLY 628.A N ALA 616.A O no hydrogen 2.752 N/A CYS 629.A N VAL 450.A O no hydrogen 2.620 N/A CYS 629.A SG VAL 627.A O no hydrogen 3.865 N/A ARG 630.A N ASP 614.A O no hydrogen 2.914 N/A ARG 630.A NE GLY 613.A O no hydrogen 3.094 N/A ARG 630.A NH2 ASP 614.A OD1 no hydrogen 2.855 N/A ILE 634.A N THR 631.A OG1 no hydrogen 3.160 N/A ALA 635.A N THR 631.A O no hydrogen 3.009 N/A GLN 636.A N GLU 632.A O no hydrogen 2.997 N/A VAL 637.A N GLU 633.A O no hydrogen 3.221 N/A VAL 638.A N ILE 634.A O no hydrogen 3.009 N/A ILE 639.A N ALA 635.A O no hydrogen 3.076 N/A GLU 640.A N GLN 636.A O no hydrogen 3.007 N/A THR 641.A N VAL 637.A O no hydrogen 2.887 N/A THR 641.A OG1 VAL 637.A O no hydrogen 2.402 N/A ALA 642.A N VAL 638.A O no hydrogen 2.859 N/A GLN 643.A N GLU 640.A O no hydrogen 3.268 N/A GLN 643.A NE2 ASP 660.A OD1 no hydrogen 2.811 N/A GLU 644.A N GLU 640.A O no hydrogen 3.216 N/A ALA 645.A N THR 641.A O no hydrogen 2.951 N/A MET 646.A N ALA 642.A O no hydrogen 3.030 N/A ARG 647.A N GLN 643.A O no hydrogen 3.020 N/A ARG 647.A NH1 ASP 660.A OD1 no hydrogen 2.541 N/A TRP 648.A N GLU 644.A O no hydrogen 2.842 N/A VAL 649.A N ALA 645.A O no hydrogen 2.900 N/A GLY 650.A N MET 646.A O no hydrogen 3.027 N/A ASP 651.A N ARG 647.A O no hydrogen 3.127 N/A HIS 652.A N TRP 648.A O no hydrogen 2.745 N/A HIS 652.A NE2 GLU 206.A OE2 no hydrogen 2.626 N/A TRP 653.A N VAL 649.A O no hydrogen 3.091 N/A TRP 653.A NE1 GLU 206.A OE1 no hydrogen 3.089 N/A ASN 654.A N ASP 651.A O no hydrogen 3.082 N/A PHE 655.A N GLY 650.A O no hydrogen 2.784 N/A ARG 656.A N HIS 466.A ND1 no hydrogen 2.768 N/A CYS 657.A SG LEU 658.A O no hydrogen 3.803 N/A THR 661.A N GLN 643.A OE1 no hydrogen 2.791 N/A THR 661.A OG1 GLN 643.A OE1 no hydrogen 2.574 N/A GLU 662.A N ASP 455.A O no hydrogen 3.021 N/A LYS 664.A N GLY 453.A O no hydrogen 2.770 N/A GLY 666.A N GLN 451.A O no hydrogen 2.935 N/A ASN 668.A ND2 GLU 438.A OE2 no hydrogen 2.569 N/A TRP 669.A N PHE 435.A O no hydrogen 2.796 N/A TRP 669.A NE1 GLU 624.A OE1 no hydrogen 3.235 N/A ILE 671.A N ASN 668.A O no hydrogen 3.256 N/A ILE 671.A N ASN 668.A OD1 no hydrogen 3.282 N/A CYS 672.A N ASN 668.A O no hydrogen 3.166 N/A CYS 672.A SG GLN 451.A O no hydrogen 3.754 N/A CYS 672.A SG LYS 664.A O no hydrogen 3.732 N/A CYS 672.A SG ASN 668.A O no hydrogen 3.304 N/A