Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w2w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N VAL 91.A O no hydrogen 2.848 N/A THR 5.A OG1 ASP 3.A O no hydrogen 3.182 N/A LEU 6.A N VAL 158.A O no hydrogen 2.924 N/A LEU 7.A N ALA 89.A O no hydrogen 2.745 N/A ARG 8.A N THR 156.A O no hydrogen 2.958 N/A ARG 8.A NH2 ASP 210.A OD1 no hydrogen 3.455 N/A ARG 8.A NH2 GLU 214.A OE1 no hydrogen 2.705 N/A ILE 9.A N ALA 87.A O no hydrogen 2.916 N/A LYS 10.A N SER 154.A O no hydrogen 2.895 N/A LYS 10.A NZ GLU 214.A OE1 no hydrogen 2.618 N/A ILE 11.A N ASN 85.A O no hydrogen 2.898 N/A VAL 12.A N THR 152.A O no hydrogen 3.011 N/A PHE 17.A N VAL 14.A O no hydrogen 3.037 N/A ILE 18.A N VAL 14.A O no hydrogen 3.034 N/A ALA 19.A N GLN 15.A O no hydrogen 2.911 N/A SER 21.A N ALA 19.A O no hydrogen 2.716 N/A SER 21.A OG ILE 18.A O no hydrogen 2.641 N/A ARG 22.A N ASP 26.A OD2 no hydrogen 3.122 N/A ARG 22.A NE GLU 260.A OE1 no hydrogen 3.274 N/A ARG 22.A NE GLU 260.A OE2 no hydrogen 3.115 N/A ARG 22.A NH2 GLU 260.A OE2 no hydrogen 2.672 N/A LYS 23.A N ASP 26.A OD2 no hydrogen 3.181 N/A GLN 24.A NE2 PHE 286.A O no hydrogen 3.203 N/A ASP 26.A N LYS 23.A O no hydrogen 2.806 N/A LEU 27.A N LYS 23.A O no hydrogen 3.143 N/A TRP 28.A N GLN 24.A O no hydrogen 2.854 N/A TRP 28.A NE1 LEU 79.A O no hydrogen 2.724 N/A ALA 29.A N LEU 25.A O no hydrogen 2.904 N/A SER 30.A N ASP 26.A O no hydrogen 2.830 N/A SER 30.A OG PHE 17.A O no hydrogen 3.475 N/A SER 30.A OG ASP 26.A O no hydrogen 3.018 N/A SER 31.A N LEU 27.A O no hydrogen 3.251 N/A HIS 32.A N TRP 28.A O no hydrogen 2.883 N/A HIS 32.A ND1 TYR 272.A OH no hydrogen 2.489 N/A HIS 32.A NE2 ILE 78.A O no hydrogen 2.928 N/A LEU 33.A N ALA 29.A O no hydrogen 2.875 N/A LEU 34.A N SER 30.A O no hydrogen 3.007 N/A SER 35.A N SER 31.A O no hydrogen 3.149 N/A SER 35.A OG SER 31.A O no hydrogen 3.534 N/A SER 35.A OG LEU 83.A O no hydrogen 3.132 N/A MET 36.A N HIS 32.A O no hydrogen 2.865 N/A LEU 37.A N LEU 33.A O no hydrogen 2.866 N/A MET 38.A N LEU 34.A O no hydrogen 3.183 N/A TYR 39.A N SER 35.A O no hydrogen 2.928 N/A LYS 40.A N MET 36.A O no hydrogen 2.989 N/A ALA 41.A N LEU 37.A O no hydrogen 3.043 N/A LEU 42.A N MET 38.A O no hydrogen 2.816 N/A GLU 43.A N TYR 39.A O no hydrogen 2.853 N/A VAL 44.A N ALA 41.A O no hydrogen 3.247 N/A VAL 46.A N LEU 42.A O no hydrogen 2.827 N/A ASP 47.A N GLU 43.A O no hydrogen 2.918 N/A PHE 49.A N ILE 45.A O no hydrogen 2.936 N/A PHE 49.A N VAL 46.A O no hydrogen 3.247 N/A GLY 50.A N VAL 46.A O no hydrogen 2.557 N/A GLU 52.A N GLU 52.A OE1 no hydrogen 2.691 N/A HIS 53.A N GLY 50.A O no hydrogen 3.232 N/A VAL 54.A N PRO 51.A O no hydrogen 2.700 N/A TYR 56.A N LEU 88.A O no hydrogen 3.118 N/A SER 58.A OG GLN 399.A OE1 no hydrogen 2.657 N/A GLN 62.A N LEU 59.A O no hydrogen 2.682 N/A GLN 62.A NE2 SER 58.A O no hydrogen 3.183 N/A LEU 66.A N GLN 62.A O no hydrogen 2.997 N/A LYS 67.A N PRO 63.A O no hydrogen 2.945 N/A LYS 67.A NZ LYS 279.A O no hydrogen 3.251 N/A PHE 68.A N PHE 64.A O no hydrogen 2.925 N/A TYR 69.A N PHE 65.A O no hydrogen 3.026 N/A TYR 69.A OH ASP 47.A OD1 no hydrogen 2.688 N/A LEU 70.A N PHE 65.A O no hydrogen 3.268 N/A GLY 75.A N GLU 77.A OE1 no hydrogen 2.818 N/A GLU 77.A N GLU 77.A OE2 no hydrogen 2.524 N/A ILE 78.A N GLY 75.A O no hydrogen 3.124 N/A LEU 79.A N ASP 76.A O no hydrogen 2.606 N/A VAL 80.A N GLU 77.A O no hydrogen 3.347 N/A ALA 81.A N ILE 420.A O no hydrogen 2.923 N/A ASN 82.A ND2 ALA 422.A O no hydrogen 2.899 N/A ASN 85.A ND2 ILE 11.A O no hydrogen 3.011 N/A LYS 86.A NZ ASP 210.A OD1 no hydrogen 2.961 N/A LYS 86.A NZ ASP 210.A OD2 no hydrogen 2.656 N/A ALA 87.A N ILE 9.A O no hydrogen 2.911 N/A LEU 88.A N TYR 56.A O no hydrogen 2.745 N/A ALA 89.A N LEU 7.A O no hydrogen 2.868 N/A ILE 90.A N HIS 53.A O no hydrogen 2.904 N/A VAL 91.A N THR 5.A O no hydrogen 2.985 N/A GLY 93.A N ASP 3.A O no hydrogen 3.005 N/A GLU 95.A N SER 92.A O no hydrogen 3.010 N/A ALA 96.A N SER 92.A O no hydrogen 3.076 N/A ALA 96.A N GLY 93.A O no hydrogen 3.351 N/A ILE 99.A N GLU 95.A O no hydrogen 2.923 N/A GLU 100.A N ALA 96.A O no hydrogen 2.901 N/A GLU 101.A N GLU 97.A O no hydrogen 3.300 N/A GLU 102.A N LYS 98.A O no hydrogen 2.700 N/A ILE 103.A N ILE 99.A O no hydrogen 2.814 N/A LYS 104.A N GLU 100.A O no hydrogen 3.128 N/A LYS 104.A NZ VAL 153.A O no hydrogen 2.852 N/A LYS 104.A NZ GLU 220.A OE2 no hydrogen 3.134 N/A LYS 105.A N GLU 101.A O no hydrogen 3.130 N/A LYS 105.A NZ ASP 109.A OD2 no hydrogen 2.830 N/A ARG 106.A N GLU 102.A O no hydrogen 3.132 N/A ARG 106.A NE GLU 102.A OE1 no hydrogen 2.784 N/A ARG 106.A NH1 ASP 47.A OD2 no hydrogen 3.441 N/A ARG 106.A NH1 GLU 102.A OE1 no hydrogen 3.454 N/A ARG 106.A NH2 ASP 47.A OD2 no hydrogen 3.289 N/A ILE 107.A N ILE 103.A O no hydrogen 3.256 N/A ARG 108.A N LYS 104.A O no hydrogen 3.046 N/A ASP 109.A N LYS 105.A O no hydrogen 2.808 N/A PHE 110.A N ARG 106.A O no hydrogen 3.090 N/A LEU 111.A N ILE 107.A O no hydrogen 3.149 N/A LEU 112.A N ARG 108.A O no hydrogen 3.057 N/A GLN 113.A N ASP 109.A O no hydrogen 2.846 N/A LEU 114.A N PHE 110.A O no hydrogen 2.880 N/A TYR 115.A N LEU 111.A O no hydrogen 2.843 N/A TYR 115.A OH MET 138.A O no hydrogen 2.709 N/A ARG 116.A N LEU 112.A O no hydrogen 2.869 N/A GLU 117.A N GLN 113.A O no hydrogen 3.003 N/A ALA 118.A N LEU 114.A O no hydrogen 2.723 N/A VAL 119.A N TYR 115.A O no hydrogen 2.788 N/A ASP 120.A N ARG 116.A O no hydrogen 3.015 N/A TRP 121.A N GLU 117.A O no hydrogen 2.966 N/A ALA 122.A N ALA 118.A O no hydrogen 2.764 N/A VAL 123.A N VAL 119.A O no hydrogen 3.085 N/A GLU 124.A N ASP 120.A O no hydrogen 3.007 N/A ASN 125.A N ALA 122.A O no hydrogen 3.429 N/A ASN 125.A ND2 TRP 121.A O no hydrogen 2.767 N/A VAL 128.A N ALA 122.A O no hydrogen 3.379 N/A LYS 129.A N LEU 255.A O no hydrogen 2.687 N/A ASP 131.A N GLU 134.A OE1 no hydrogen 3.307 N/A SER 133.A OG ASP 131.A OD1 no hydrogen 2.738 N/A LYS 135.A NZ ASP 120.A OD2 no hydrogen 2.864 N/A ASP 136.A N SER 133.A O no hydrogen 2.719 N/A SER 137.A N GLU 134.A O no hydrogen 3.217 N/A SER 137.A OG GLU 134.A O no hydrogen 2.536 N/A LEU 139.A N ASP 136.A O no hydrogen 3.163 N/A LYS 140.A N SER 137.A O no hydrogen 3.111 N/A LYS 140.A NZ ASP 245.A OD2 no hydrogen 2.945 N/A TYR 143.A N LYS 140.A O no hydrogen 3.061 N/A LEU 144.A N LYS 140.A O no hydrogen 3.137 N/A LYS 145.A N GLU 141.A O no hydrogen 2.686 N/A ARG 148.A N LEU 144.A O no hydrogen 3.011 N/A ARG 148.A NH1 GLU 141.A OE1 no hydrogen 3.214 N/A ARG 148.A NH2 GLU 141.A OE1 no hydrogen 3.041 N/A ARG 148.A NH2 GLU 141.A OE2 no hydrogen 2.693 N/A GLU 149.A N LYS 145.A O no hydrogen 2.925 N/A THR 152.A N VAL 12.A O no hydrogen 2.733 N/A SER 154.A N LYS 10.A O no hydrogen 2.838 N/A SER 154.A OG GLU 220.A OE1 no hydrogen 2.791 N/A THR 156.A N ARG 8.A O no hydrogen 3.255 N/A VAL 158.A N LEU 6.A O no hydrogen 2.990 N/A LEU 160.A N PRO 4.A O no hydrogen 2.995 N/A SER 161.A N SER 159.A OG no hydrogen 3.251 N/A SER 161.A OG ASP 3.A OD1 no hydrogen 2.858 N/A SER 161.A OG SER 159.A OG no hydrogen 3.288 N/A GLU 162.A N SER 159.A OG no hydrogen 3.248 N/A GLU 164.A N LEU 196.A O no hydrogen 2.727 N/A ILE 166.A N ARG 194.A O no hydrogen 2.945 N/A TYR 167.A OH GLU 188.A OE2 no hydrogen 3.009 N/A GLN 168.A N ASP 165.A OD1 no hydrogen 3.177 N/A VAL 169.A N ASP 165.A O no hydrogen 2.992 N/A THR 170.A N ILE 166.A O no hydrogen 3.222 N/A THR 170.A OG1 ILE 166.A O no hydrogen 3.445 N/A THR 170.A OG1 TYR 167.A O no hydrogen 3.046 N/A GLU 171.A N TYR 167.A O no hydrogen 2.995 N/A ASN 172.A N GLN 168.A O no hydrogen 2.955 N/A ALA 173.A N VAL 169.A O no hydrogen 3.273 N/A GLY 174.A N GLU 171.A O no hydrogen 2.991 N/A LEU 175.A N THR 170.A O no hydrogen 2.773 N/A SER 176.A OG GLU 171.A OE2 no hydrogen 2.790 N/A LYS 181.A N ASP 177.A O no hydrogen 3.141 N/A LYS 182.A N GLU 178.A O no hydrogen 2.782 N/A TRP 183.A N ASP 179.A O no hydrogen 3.129 N/A LEU 184.A N VAL 180.A O no hydrogen 2.857 N/A LYS 185.A N LYS 181.A O no hydrogen 2.918 N/A PHE 186.A N LYS 182.A O no hydrogen 3.126 N/A ALA 187.A N TRP 183.A O no hydrogen 3.064 N/A GLU 188.A N LEU 184.A O no hydrogen 2.916 N/A LYS 189.A N LYS 185.A O no hydrogen 2.927 N/A LYS 189.A N PHE 186.A O no hydrogen 3.191 N/A LYS 190.A N PHE 186.A O no hydrogen 3.167 N/A GLU 191.A N ALA 187.A O no hydrogen 3.436 N/A SER 193.A N GLU 191.A O no hydrogen 2.401 N/A VAL 195.A N SER 193.A OG no hydrogen 3.300 N/A LEU 196.A N GLU 164.A O no hydrogen 3.119 N/A ARG 198.A N GLU 162.A O no hydrogen 2.919 N/A ARG 198.A NE GLU 164.A OE1 no hydrogen 2.463 N/A ARG 198.A NH1 SER 159.A O no hydrogen 2.983 N/A ARG 198.A NH1 GLU 162.A OE1 no hydrogen 2.985 N/A ARG 198.A NH2 GLU 162.A OE1 no hydrogen 3.346 N/A ARG 198.A NH2 GLU 164.A OE1 no hydrogen 2.845 N/A ILE 199.A N LEU 160.A O no hydrogen 3.046 N/A ALA 200.A N GLU 197.A O no hydrogen 2.608 N/A ILE 201.A N ARG 198.A O no hydrogen 3.040 N/A TYR 202.A OH HIS 394.A ND1 no hydrogen 2.658 N/A LEU 204.A N ILE 201.A O no hydrogen 2.712 N/A LEU 205.A N ILE 201.A O no hydrogen 3.128 N/A VAL 206.A N TYR 202.A O no hydrogen 2.932 N/A LYS 207.A NZ GLY 379.A O no hydrogen 3.076 N/A ILE 208.A N LEU 204.A O no hydrogen 3.101 N/A LEU 209.A N LEU 205.A O no hydrogen 2.794 N/A ASP 210.A N VAL 206.A O no hydrogen 3.044 N/A SER 211.A N LYS 207.A O no hydrogen 3.227 N/A LEU 212.A N ILE 208.A O no hydrogen 2.896 N/A GLY 213.A N LEU 209.A O no hydrogen 2.638 N/A GLU 214.A N ASP 210.A O no hydrogen 2.806 N/A ARG 215.A N SER 211.A O no hydrogen 3.012 N/A LYS 216.A N LEU 212.A O no hydrogen 3.290 N/A LYS 216.A NZ GLU 100.A OE1 no hydrogen 3.084 N/A LYS 216.A NZ ILE 155.A O no hydrogen 2.686 N/A VAL 217.A N GLY 213.A O no hydrogen 2.989 N/A THR 218.A N GLU 214.A O no hydrogen 3.217 N/A GLU 219.A N ARG 215.A O no hydrogen 3.230 N/A GLU 220.A N LYS 216.A O no hydrogen 2.883 N/A ARG 221.A N VAL 217.A O no hydrogen 2.947 N/A GLU 223.A N GLU 220.A O no hydrogen 3.197 N/A LYS 224.A NZ ARG 221.A O no hydrogen 2.600 N/A SER 225.A N GLU 149.A OE1 no hydrogen 2.887 N/A SER 225.A OG GLU 149.A OE1 no hydrogen 2.953 N/A SER 225.A OG GLU 149.A OE2 no hydrogen 2.808 N/A GLN 227.A NE2 ASN 239.A OD1 no hydrogen 3.029 N/A TRP 231.A N GLY 244.A O no hydrogen 2.954 N/A LYS 232.A NZ GLY 230.A O no hydrogen 3.255 N/A CYS 233.A N ASN 239.A O no hydrogen 2.895 N/A HIS 234.A N PRO 261.A O no hydrogen 2.995 N/A GLY 237.A N CYS 233.A O no hydrogen 2.685 N/A LEU 240.A N GLN 227.A OE1 no hydrogen 2.947 N/A ALA 241.A N TRP 231.A O no hydrogen 3.071 N/A ILE 242.A N LEU 262.A O no hydrogen 2.829 N/A PHE 243.A N TYR 143.A OH no hydrogen 2.710 N/A GLY 244.A N ALA 241.A O no hydrogen 2.666 N/A MET 246.A N PHE 243.A O no hydrogen 3.276 N/A TYR 247.A OH GLU 134.A OE2 no hydrogen 2.392 N/A ASN 251.A N ASP 248.A OD1 no hydrogen 2.897 N/A LEU 252.A N ASP 248.A O no hydrogen 2.938 N/A LYS 253.A N HIS 249.A O no hydrogen 3.116 N/A SER 254.A N ASP 250.A O no hydrogen 3.250 N/A SER 254.A OG ASN 251.A O no hydrogen 2.795 N/A LEU 255.A N LEU 252.A O no hydrogen 3.303 N/A TRP 256.A N LYS 253.A O no hydrogen 3.165 N/A LEU 257.A N VAL 127.A O no hydrogen 2.832 N/A GLU 259.A N TRP 256.A O no hydrogen 2.708 N/A GLU 260.A N LEU 257.A O no hydrogen 3.313 N/A LEU 267.A N CYS 263.A O no hydrogen 3.021 N/A LEU 267.A N PRO 264.A O no hydrogen 3.312 N/A ILE 268.A N PRO 264.A O no hydrogen 3.157 N/A LYS 269.A N MET 265.A O no hydrogen 3.139 N/A LYS 269.A NZ ASN 20.A O no hydrogen 2.826 N/A ARG 270.A N CYS 266.A O no hydrogen 3.115 N/A ARG 270.A NE ASP 26.A OD1 no hydrogen 2.858 N/A ARG 270.A NE ASP 26.A OD2 no hydrogen 3.470 N/A ARG 270.A NH1 GLU 260.A OE2 no hydrogen 2.873 N/A ARG 270.A NH2 ASP 26.A OD2 no hydrogen 3.183 N/A ARG 270.A NH2 GLU 260.A OE2 no hydrogen 3.116 N/A TYR 271.A N LEU 267.A O no hydrogen 2.983 N/A TYR 271.A OH GLU 117.A OE1 no hydrogen 2.845 N/A TYR 272.A N ILE 268.A O no hydrogen 2.712 N/A TYR 272.A OH HIS 32.A ND1 no hydrogen 2.489 N/A TRP 275.A N TYR 271.A O no hydrogen 3.051 N/A ILE 276.A N TYR 272.A O no hydrogen 2.955 N/A ARG 277.A N PRO 273.A O no hydrogen 3.045 N/A SER 278.A N VAL 274.A O no hydrogen 2.818 N/A SER 278.A OG VAL 274.A O no hydrogen 3.300 N/A LYS 279.A N TRP 275.A O no hydrogen 2.962 N/A LYS 279.A N ILE 276.A O no hydrogen 3.189 N/A THR 280.A N ILE 276.A O no hydrogen 2.827 N/A THR 280.A OG1 ILE 276.A O no hydrogen 2.869 N/A GLY 281.A N ARG 277.A O no hydrogen 2.520 N/A GLN 282.A N THR 280.A OG1 no hydrogen 3.141 N/A SER 288.A N ASP 291.A OD2 no hydrogen 3.296 N/A VAL 290.A N SER 288.A OG no hydrogen 3.322 N/A ASP 291.A N SER 288.A O no hydrogen 3.122 N/A ALA 293.A N VAL 289.A O no hydrogen 2.850 N/A LEU 294.A N VAL 290.A O no hydrogen 2.986 N/A LEU 295.A N VAL 292.A O no hydrogen 3.324 N/A TYR 296.A N ALA 293.A O no hydrogen 3.135 N/A TYR 296.A OH PRO 618.A O no hydrogen 2.675 N/A LYS 297.A N ASP 434.A OD2 no hydrogen 3.000 N/A LYS 297.A NZ PRO 618.A O no hydrogen 3.379 N/A ASN 298.A N LEU 295.A O no hydrogen 3.242 N/A TRP 299.A N TYR 296.A O no hydrogen 3.077 N/A TRP 299.A NE1 GLY 362.A O no hydrogen 2.754 N/A ARG 300.A N LEU 294.A O no hydrogen 2.914 N/A ARG 300.A NE TYR 334.A OH no hydrogen 2.891 N/A ARG 300.A NH1 ASP 291.A OD1 no hydrogen 2.965 N/A ARG 300.A NH2 ASP 291.A OD1 no hydrogen 3.492 N/A ILE 302.A N ASN 298.A O no hydrogen 2.868 N/A PHE 303.A N TRP 299.A O no hydrogen 2.726 N/A ASP 304.A N ARG 300.A O no hydrogen 2.947 N/A GLU 305.A N LYS 301.A O no hydrogen 2.915 N/A GLU 305.A N ILE 302.A O no hydrogen 3.054 N/A LYS 306.A N ILE 302.A O no hydrogen 3.233 N/A LYS 306.A N PHE 303.A O no hydrogen 3.155 N/A GLY 308.A N ASP 304.A O no hydrogen 3.151 N/A LEU 311.A N TYR 307.A O no hydrogen 3.144 N/A VAL 312.A N GLY 308.A O no hydrogen 3.497 N/A SER 313.A N LYS 309.A O no hydrogen 3.075 N/A SER 313.A OG GLU 317.A OE2 no hydrogen 3.480 N/A LYS 314.A N ASP 310.A O no hydrogen 2.729 N/A ALA 315.A N LEU 311.A O no hydrogen 2.777 N/A ARG 316.A N VAL 312.A O no hydrogen 2.827 N/A ARG 316.A NE GLU 320.A OE1 no hydrogen 3.049 N/A GLU 317.A N SER 313.A O no hydrogen 2.865 N/A VAL 318.A N LYS 314.A O no hydrogen 3.145 N/A SER 319.A N ALA 315.A O no hydrogen 2.991 N/A ASP 321.A N SER 319.A OG no hydrogen 3.239 N/A LYS 324.A N MET 327.A O no hydrogen 2.986 N/A MET 327.A N LYS 324.A O no hydrogen 2.789 N/A VAL 329.A N PHE 322.A O no hydrogen 2.910 N/A SER 331.A OG ASP 291.A OD1 no hydrogen 2.282 N/A ASP 332.A N ASP 330.A OD2 no hydrogen 2.684 N/A LEU 333.A N ASP 330.A O no hydrogen 3.453 N/A TYR 334.A N SER 331.A O no hydrogen 3.164 N/A TYR 334.A OH ASP 304.A OD1 no hydrogen 2.666 N/A TYR 335.A N ASP 332.A O no hydrogen 3.099 N/A TYR 335.A OH PRO 365.A O no hydrogen 2.831 N/A SER 336.A N TYR 358.A OH no hydrogen 3.155 N/A SER 336.A OG TYR 358.A OH no hydrogen 3.283 N/A THR 338.A N TYR 335.A O no hydrogen 2.826 N/A THR 338.A OG1 ASP 332.A O no hydrogen 2.498 N/A THR 338.A OG1 TYR 335.A O no hydrogen 3.138 N/A TRP 339.A N SER 336.A O no hydrogen 2.886 N/A TRP 339.A NE1 LEU 333.A O no hydrogen 3.031 N/A GLY 342.A N THR 338.A O no hydrogen 2.780 N/A LYS 346.A N ASP 343.A O no hydrogen 2.741 N/A VAL 347.A N ASP 343.A O no hydrogen 3.226 N/A VAL 347.A N GLU 344.A O no hydrogen 2.593 N/A LYS 348.A N GLU 344.A O no hydrogen 3.005 N/A VAL 351.A N VAL 347.A O no hydrogen 3.125 N/A ASP 352.A N LYS 348.A O no hydrogen 3.111 N/A PHE 353.A N GLU 349.A O no hydrogen 2.805 N/A LEU 354.A N VAL 350.A O no hydrogen 2.822 N/A ASN 355.A N VAL 351.A O no hydrogen 2.885 N/A ALA 356.A N ASP 352.A O no hydrogen 2.949 N/A ALA 357.A N PHE 353.A O no hydrogen 2.979 N/A TYR 358.A N LEU 354.A O no hydrogen 2.895 N/A TYR 358.A OH TYR 334.A O no hydrogen 2.649 N/A TYR 358.A OH SER 336.A OG no hydrogen 3.283 N/A LYS 359.A N ALA 356.A O no hydrogen 2.971 N/A GLU 360.A N ALA 357.A O no hydrogen 3.158 N/A ILE 361.A N ALA 357.A O no hydrogen 2.882 N/A GLY 362.A N TYR 358.A O no hydrogen 2.738 N/A TYR 368.A N VAL 466.A O no hydrogen 2.963 N/A ALA 369.A N LEU 431.A O no hydrogen 2.839 N/A ILE 370.A N LEU 464.A O no hydrogen 2.759 N/A LEU 371.A N ALA 429.A O no hydrogen 2.721 N/A VAL 372.A N GLY 462.A O no hydrogen 2.853 N/A MET 373.A N VAL 427.A O no hydrogen 2.983 N/A ASP 374.A N SER 460.A O no hydrogen 2.917 N/A GLY 375.A N ASP 425.A OD1 no hydrogen 2.565 N/A ASP 376.A N LYS 458.A O no hydrogen 2.661 N/A VAL 381.A N ASP 377.A O no hydrogen 2.999 N/A ILE 382.A N MET 378.A O no hydrogen 2.901 N/A SER 383.A N GLY 379.A O no hydrogen 3.368 N/A SER 383.A OG GLY 379.A O no hydrogen 3.429 N/A SER 383.A OG LYS 380.A O no hydrogen 3.226 N/A GLY 384.A N LYS 380.A O no hydrogen 2.801 N/A GLU 385.A N VAL 381.A O no hydrogen 3.288 N/A VAL 386.A N ILE 382.A O no hydrogen 2.967 N/A LEU 387.A N GLY 384.A O no hydrogen 3.223 N/A GLN 392.A N SER 389.A O no hydrogen 2.999 N/A VAL 393.A N SER 389.A O no hydrogen 3.350 N/A HIS 394.A N THR 390.A O no hydrogen 3.062 N/A HIS 394.A ND1 TYR 202.A OH no hydrogen 2.658 N/A VAL 395.A N PRO 391.A O no hydrogen 2.959 N/A ALA 396.A N GLN 392.A O no hydrogen 2.983 N/A ILE 397.A N VAL 393.A O no hydrogen 3.033 N/A SER 398.A N HIS 394.A O no hydrogen 2.937 N/A SER 398.A OG ILE 55.A O no hydrogen 3.060 N/A SER 398.A OG HIS 394.A O no hydrogen 2.962 N/A GLN 399.A N VAL 395.A O no hydrogen 2.893 N/A GLN 399.A NE2 ASP 61.A OD2 no hydrogen 2.973 N/A ALA 400.A N ALA 396.A O no hydrogen 3.134 N/A LEU 401.A N ILE 397.A O no hydrogen 3.041 N/A ALA 402.A N SER 398.A O no hydrogen 2.877 N/A ASN 403.A N GLN 399.A O no hydrogen 2.943 N/A PHE 404.A N ALA 400.A O no hydrogen 3.270 N/A SER 405.A N LEU 401.A O no hydrogen 2.970 N/A SER 405.A OG LEU 401.A O no hydrogen 3.547 N/A SER 405.A OG ALA 402.A O no hydrogen 3.031 N/A SER 405.A OG ALA 422.A O no hydrogen 3.450 N/A ILE 406.A N ALA 402.A O no hydrogen 2.845 N/A ARG 407.A N ASN 403.A O no hydrogen 2.950 N/A VAL 409.A N PHE 404.A O no hydrogen 2.912 N/A ARG 410.A NH1 ASP 76.A OD1 no hydrogen 3.445 N/A SER 411.A N ARG 407.A O no hydrogen 3.070 N/A SER 411.A OG ARG 407.A O no hydrogen 2.485 N/A VAL 412.A N GLU 408.A O no hydrogen 3.349 N/A VAL 412.A N VAL 409.A O no hydrogen 3.314 N/A VAL 413.A N VAL 409.A O no hydrogen 3.331 N/A LYS 414.A N ARG 410.A O no hydrogen 3.003 N/A LYS 414.A NZ SER 411.A O no hydrogen 3.090 N/A GLU 416.A N VAL 413.A O no hydrogen 2.731 N/A LEU 418.A N ILE 430.A O no hydrogen 2.912 N/A ILE 420.A N LEU 428.A O no hydrogen 3.096 N/A TYR 421.A N LEU 428.A O no hydrogen 3.270 N/A TYR 421.A OH ASP 426.A OD1 no hydrogen 2.712 N/A TYR 421.A OH ASP 426.A OD2 no hydrogen 3.364 N/A ALA 422.A N ALA 81.A O no hydrogen 2.934 N/A GLY 423.A N ASP 426.A O no hydrogen 3.237 N/A VAL 427.A N MET 373.A O no hydrogen 2.908 N/A LEU 428.A N TYR 421.A O no hydrogen 2.999 N/A ALA 429.A N LEU 371.A O no hydrogen 2.795 N/A ILE 430.A N LEU 418.A O no hydrogen 2.925 N/A LEU 431.A N ALA 369.A O no hydrogen 2.855 N/A LYS 435.A N PRO 432.A O no hydrogen 2.962 N/A LYS 435.A NZ GLU 416.A OE2 no hydrogen 2.769 N/A ALA 436.A N PRO 432.A O no hydrogen 3.301 N/A VAL 439.A N LYS 435.A O no hydrogen 2.798 N/A ALA 440.A N ALA 436.A O no hydrogen 2.959 N/A TYR 441.A N LEU 437.A O no hydrogen 2.923 N/A TYR 441.A OH GLU 515.A OE1 no hydrogen 2.919 N/A TYR 441.A OH GLU 515.A OE2 no hydrogen 2.920 N/A LYS 442.A N GLU 438.A O no hydrogen 2.880 N/A ILE 443.A N VAL 439.A O no hydrogen 3.051 N/A ARG 444.A N ALA 440.A O no hydrogen 2.985 N/A ARG 444.A NE ASP 494.A OD2 no hydrogen 2.893 N/A ARG 444.A NH1 ARG 444.A O no hydrogen 2.823 N/A ARG 444.A NH2 ASP 494.A OD1 no hydrogen 3.129 N/A ARG 444.A NH2 ASP 494.A OD2 no hydrogen 3.291 N/A LYS 445.A N TYR 441.A O no hydrogen 2.779 N/A GLU 446.A N LYS 442.A O no hydrogen 2.766 N/A PHE 447.A N ILE 443.A O no hydrogen 2.960 N/A GLY 448.A N ARG 444.A O no hydrogen 3.093 N/A LYS 449.A N LYS 445.A O no hydrogen 3.058 N/A SER 450.A N GLU 446.A O no hydrogen 2.998 N/A SER 450.A OG GLU 446.A O no hydrogen 3.317 N/A PHE 451.A N PHE 447.A O no hydrogen 3.196 N/A LYS 458.A NZ GLY 492.A O no hydrogen 3.020 N/A SER 460.A N ASP 374.A O no hydrogen 3.186 N/A SER 460.A OG ASP 376.A OD1 no hydrogen 2.681 N/A SER 460.A OG ASP 376.A OD2 no hydrogen 2.710 N/A ALA 461.A N THR 495.A O no hydrogen 2.800 N/A GLY 462.A N VAL 372.A O no hydrogen 2.703 N/A ILE 463.A N ALA 497.A O no hydrogen 2.962 N/A LEU 464.A N ILE 370.A O no hydrogen 2.863 N/A ILE 465.A N GLY 499.A O no hydrogen 2.787 N/A VAL 466.A N TYR 368.A O no hydrogen 3.010 N/A TYR 468.A N LYS 366.A O no hydrogen 2.869 N/A HIS 470.A N HIS 467.A O no hydrogen 2.980 N/A HIS 470.A NE2 ASP 474.A OD2 no hydrogen 2.601 N/A ALA 475.A N PRO 471.A O no hydrogen 3.148 N/A LEU 476.A N LEU 472.A O no hydrogen 2.999 N/A GLU 477.A N TYR 473.A O no hydrogen 3.176 N/A LYS 478.A N ASP 474.A O no hydrogen 2.952 N/A LYS 478.A NZ ASP 474.A OD1 no hydrogen 3.168 N/A LYS 478.A NZ ASP 474.A OD2 no hydrogen 3.528 N/A ALA 479.A N ALA 475.A O no hydrogen 2.871 N/A ARG 480.A N LEU 476.A O no hydrogen 2.938 N/A ASP 481.A N GLU 477.A O no hydrogen 2.898 N/A LEU 482.A N LYS 478.A O no hydrogen 2.985 N/A LEU 483.A N ALA 479.A O no hydrogen 3.150 N/A ASN 484.A N ARG 480.A O no hydrogen 2.791 N/A ASN 485.A N ASP 481.A O no hydrogen 2.878 N/A LYS 486.A NZ ASP 481.A OD2 no hydrogen 2.863 N/A ALA 487.A N LEU 482.A O no hydrogen 2.908 N/A LYS 488.A N LEU 483.A O no hydrogen 2.862 N/A LYS 488.A NZ ASP 374.A O no hydrogen 3.008 N/A LYS 488.A NZ ASP 374.A OD1 no hydrogen 3.148 N/A LYS 488.A NZ GLY 375.A O no hydrogen 3.240 N/A LYS 488.A NZ ASP 376.A OD2 no hydrogen 2.766 N/A ASN 489.A N LYS 486.A O no hydrogen 3.205 N/A VAL 490.A N ALA 487.A O no hydrogen 3.267 N/A LYS 493.A N VAL 490.A O no hydrogen 2.730 N/A LYS 493.A NZ ASP 377.A OD1 no hydrogen 2.982 N/A ASP 494.A N ASP 376.A OD1 no hydrogen 2.672 N/A THR 495.A N SER 460.A OG no hydrogen 3.037 N/A THR 495.A OG1 LYS 493.A O no hydrogen 2.934 N/A LEU 496.A N VAL 512.A O no hydrogen 2.955 N/A ALA 497.A N ALA 461.A O no hydrogen 2.804 N/A ILE 498.A N SER 510.A O no hydrogen 2.864 N/A GLY 499.A N ILE 463.A O no hydrogen 2.908 N/A LEU 500.A N TYR 508.A O no hydrogen 2.793 N/A LEU 501.A N ILE 465.A O no hydrogen 2.840 N/A LYS 502.A N SER 506.A O no hydrogen 3.004 N/A LYS 502.A NZ ASP 613.A OD2 no hydrogen 2.829 N/A ARG 503.A N TYR 367.A OH no hydrogen 2.924 N/A GLY 505.A N LYS 502.A O no hydrogen 2.798 N/A SER 506.A N SER 504.A OG no hydrogen 3.275 N/A TYR 508.A N LEU 500.A O no hydrogen 2.971 N/A SER 510.A N ILE 498.A O no hydrogen 2.825 N/A SER 510.A OG GLY 603.A O no hydrogen 2.913 N/A VAL 512.A N LEU 496.A O no hydrogen 3.001 N/A GLY 513.A N HIS 591.A O no hydrogen 2.640 N/A TRP 514.A NE1 LEU 459.A O no hydrogen 2.859 N/A LEU 516.A N GLY 513.A O no hydrogen 3.172 N/A ILE 517.A N TRP 514.A O no hydrogen 3.206 N/A ARG 518.A NH1 GLU 515.A OE1 no hydrogen 2.503 N/A VAL 519.A N GLU 515.A O no hydrogen 2.945 N/A PHE 520.A N LEU 516.A O no hydrogen 2.780 N/A TYR 521.A N ILE 517.A O no hydrogen 3.034 N/A ASN 522.A N ARG 518.A O no hydrogen 3.158 N/A ASN 522.A ND2 ARG 518.A O no hydrogen 3.471 N/A SER 523.A N PHE 520.A O no hydrogen 2.871 N/A SER 523.A OG PHE 520.A O no hydrogen 2.838 N/A GLU 524.A N GLU 584.A OE1 no hydrogen 3.004 N/A GLU 524.A N GLU 584.A OE2 no hydrogen 2.723 N/A LEU 525.A N GLU 584.A OE1 no hydrogen 2.938 N/A ARG 526.A N SER 523.A OG no hydrogen 2.834 N/A LYS 527.A NZ GLU 524.A OE2 no hydrogen 3.353 N/A LYS 528.A N GLU 524.A O no hydrogen 2.953 N/A LYS 528.A NZ GLU 532.A OE1 no hydrogen 3.393 N/A LYS 528.A NZ ARG 567.A O no hydrogen 2.868 N/A LEU 529.A N LEU 525.A O no hydrogen 3.000 N/A LEU 530.A N ARG 526.A O no hydrogen 3.323 N/A GLU 532.A N LEU 529.A O no hydrogen 3.267 N/A ARG 537.A N GLY 533.A O no hydrogen 3.355 N/A PHE 538.A N VAL 534.A O no hydrogen 3.025 N/A ILE 539.A N GLY 535.A O no hydrogen 2.998 N/A TYR 540.A N LYS 536.A O no hydrogen 2.944 N/A HIS 541.A N ARG 537.A O no hydrogen 2.756 N/A HIS 541.A ND1 HIS 565.A NE2 no hydrogen 3.000 N/A VAL 542.A N PHE 538.A O no hydrogen 3.003 N/A LEU 543.A N ILE 539.A O no hydrogen 3.153 N/A ARG 544.A N TYR 540.A O no hydrogen 2.996 N/A ARG 544.A NE ASP 547.A OD2 no hydrogen 2.882 N/A ARG 544.A NH2 ASP 547.A OD1 no hydrogen 2.754 N/A ARG 544.A NH2 ASP 547.A OD2 no hydrogen 3.160 N/A GLU 545.A N HIS 541.A O no hydrogen 3.005 N/A VAL 546.A N LEU 543.A O no hydrogen 3.008 N/A GLY 553.A N PRO 550.A O no hydrogen 2.597 N/A MET 557.A N GLY 553.A O no hydrogen 3.021 N/A LEU 558.A N ILE 554.A O no hydrogen 2.828 N/A LYS 559.A N ASP 555.A O no hydrogen 2.966 N/A PHE 560.A N GLU 556.A O no hydrogen 2.977 N/A GLU 561.A N MET 557.A O no hydrogen 2.952 N/A VAL 562.A N LEU 558.A O no hydrogen 2.907 N/A ILE 563.A N LYS 559.A O no hydrogen 2.995 N/A ARG 564.A N PHE 560.A O no hydrogen 2.934 N/A ARG 564.A NH2 GLU 561.A OE1 no hydrogen 3.303 N/A HIS 565.A N GLU 561.A O no hydrogen 3.074 N/A HIS 565.A ND1 GLU 561.A O no hydrogen 2.957 N/A HIS 565.A NE2 HIS 541.A ND1 no hydrogen 3.000 N/A ILE 566.A N VAL 562.A O no hydrogen 2.812 N/A ARG 567.A NH1 ARG 564.A O no hydrogen 2.941 N/A ARG 569.A N GLU 573.A OE2 no hydrogen 2.626 N/A THR 574.A N ASN 570.A O no hydrogen 3.004 N/A LYS 575.A N LYS 571.A O no hydrogen 3.204 N/A GLU 576.A N GLU 572.A O no hydrogen 3.486 N/A LEU 577.A N GLU 573.A O no hydrogen 2.899 N/A ARG 578.A N THR 574.A O no hydrogen 3.069 N/A ARG 578.A NE ILE 566.A O no hydrogen 2.846 N/A ARG 578.A NH2 ILE 566.A O no hydrogen 3.568 N/A GLU 579.A N LYS 575.A O no hydrogen 3.038 N/A LYS 580.A N GLU 576.A O no hydrogen 2.896 N/A LYS 580.A NZ GLU 584.A OE2 no hydrogen 3.068 N/A ILE 581.A N LEU 577.A O no hydrogen 2.858 N/A TYR 582.A N ARG 578.A O no hydrogen 3.169 N/A GLY 583.A N GLU 579.A O no hydrogen 3.252 N/A GLU 584.A N LYS 580.A O no hydrogen 2.994 N/A ILE 585.A N ILE 581.A O no hydrogen 2.981 N/A LYS 586.A N TYR 582.A O no hydrogen 3.173 N/A ASP 587.A N GLY 583.A O no hydrogen 3.061 N/A LEU 588.A N GLU 584.A O no hydrogen 2.852 N/A LEU 589.A N ILE 585.A O no hydrogen 2.938 N/A GLU 590.A N ASP 587.A O no hydrogen 3.243 N/A HIS 591.A N LEU 588.A O no hydrogen 2.784 N/A VAL 592.A N LEU 589.A O no hydrogen 3.409 N/A ARG 593.A N LEU 511.A O no hydrogen 2.975 N/A ARG 593.A NE THR 495.A OG1 no hydrogen 3.016 N/A ARG 593.A NH2 ASP 494.A O no hydrogen 3.099 N/A ASN 595.A N GLU 599.A OE2 no hydrogen 2.640 N/A GLU 599.A N ASN 596.A OD1 no hydrogen 2.902 N/A LYS 600.A N ASN 596.A O no hydrogen 3.030 N/A LYS 600.A NZ GLY 594.A O no hydrogen 3.382 N/A VAL 601.A N GLU 597.A O no hydrogen 3.016 N/A ARG 602.A N VAL 598.A O no hydrogen 3.120 N/A ARG 602.A NE VAL 546.A O no hydrogen 3.161 N/A ARG 602.A NH2 VAL 546.A O no hydrogen 2.834 N/A GLY 603.A N GLU 599.A O no hydrogen 3.008 N/A LEU 604.A N LYS 600.A O no hydrogen 2.845 N/A PHE 605.A N VAL 601.A O no hydrogen 2.888 N/A THR 606.A N ARG 602.A O no hydrogen 2.872 N/A THR 606.A OG1 ARG 602.A O no hydrogen 2.729 N/A PHE 607.A N GLY 603.A O no hydrogen 2.983 N/A LEU 608.A N LEU 604.A O no hydrogen 2.865 N/A LYS 609.A N PHE 605.A O no hydrogen 2.998 N/A ILE 610.A N THR 606.A O no hydrogen 2.947 N/A ILE 611.A N PHE 607.A O no hydrogen 3.049 N/A THR 612.A OG1 LEU 608.A O no hydrogen 2.720 N/A THR 612.A OG1 LYS 609.A O no hydrogen 3.505 N/A ASP 613.A N ILE 610.A O no hydrogen 3.380 N/A GLU 615.A N ASP 613.A OD1 no hydrogen 2.928 N/A PHE 617.A N ASP 613.A O no hydrogen 2.820 N/A