Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ce2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N ALA 1.A O no hydrogen 2.876 N/A ASN 5.A ND2 SER 33.A O no hydrogen 3.557 N/A ASN 5.A ND2 SER 33.A OG no hydrogen 3.171 N/A ASN 5.A ND2 THR 35.A OG1 no hydrogen 2.513 N/A VAL 6.A N SER 33.A O no hydrogen 3.049 N/A ARG 7.A N ASP 55.A OD2 no hydrogen 2.923 N/A ARG 7.A NE ASP 55.A OD2 no hydrogen 3.045 N/A ARG 7.A NH1 LYS 52.A O no hydrogen 2.643 N/A ARG 7.A NH2 LYS 52.A O no hydrogen 3.342 N/A ARG 7.A NH2 ASP 55.A OD1 no hydrogen 2.498 N/A TRP 8.A N THR 35.A O no hydrogen 2.725 N/A CYS 9.A N ALA 56.A O no hydrogen 2.957 N/A THR 10.A N VAL 37.A O no hydrogen 2.954 N/A THR 10.A OG1 VAL 37.A O no hydrogen 3.175 N/A ILE 11.A N GLU 15.A OE1 no hydrogen 2.734 N/A GLU 15.A N SER 12.A OG no hydrogen 3.207 N/A TRP 16.A N SER 12.A O no hydrogen 2.848 N/A LEU 17.A N GLN 13.A O no hydrogen 2.647 N/A LYS 18.A N PRO 14.A O no hydrogen 2.593 N/A LYS 18.A NZ LEU 288.A O no hydrogen 2.614 N/A LYS 18.A NZ GLY 290.A O no hydrogen 3.162 N/A LYS 18.A NZ LEU 298.A O no hydrogen 2.890 N/A CYS 19.A N GLU 15.A O no hydrogen 2.761 N/A HIS 20.A N TRP 16.A O no hydrogen 3.051 N/A ARG 21.A N LEU 17.A O no hydrogen 3.070 N/A TRP 22.A N LYS 18.A O no hydrogen 2.821 N/A GLN 23.A N CYS 19.A O no hydrogen 2.739 N/A TRP 24.A N HIS 20.A O no hydrogen 2.966 N/A ARG 25.A N ARG 21.A O no hydrogen 3.484 N/A LYS 27.A NZ ALA 31.A O no hydrogen 3.291 N/A LEU 29.A N MET 26.A O no hydrogen 2.826 N/A GLY 30.A N LYS 27.A O no hydrogen 2.568 N/A THR 35.A N VAL 6.A O no hydrogen 2.828 N/A CYS 36.A SG HIS 20.A ND1 no hydrogen 3.701 N/A VAL 37.A N TRP 8.A O no hydrogen 2.790 N/A ARG 38.A NE GLN 13.A OE1 no hydrogen 3.110 N/A ARG 38.A NH2 GLN 13.A OE1 no hydrogen 2.739 N/A ARG 39.A NH1 ARG 38.A O no hydrogen 3.266 N/A ALA 40.A N GLU 44.A OE1 no hydrogen 2.908 N/A CYS 45.A N VAL 42.A O no hydrogen 2.901 N/A ILE 46.A N VAL 42.A O no hydrogen 3.122 N/A ARG 47.A N LEU 43.A O no hydrogen 2.843 N/A ALA 48.A N GLU 44.A O no hydrogen 2.828 N/A ILE 49.A N CYS 45.A O no hydrogen 2.797 N/A THR 50.A N ILE 46.A O no hydrogen 3.168 N/A GLU 51.A N ARG 47.A O no hydrogen 3.012 N/A LYS 52.A N ILE 49.A O no hydrogen 2.771 N/A LYS 52.A NZ ASP 261.A OD2 no hydrogen 2.998 N/A LYS 53.A N ALA 48.A O no hydrogen 2.926 N/A ASP 55.A N ARG 7.A O no hydrogen 2.975 N/A ALA 56.A N ARG 7.A O no hydrogen 3.308 N/A THR 58.A OG1 LEU 299.A O no hydrogen 2.853 N/A LEU 59.A N ALA 254.A O no hydrogen 2.810 N/A GLY 62.A N ASP 60.A OD2 no hydrogen 3.238 N/A MET 63.A N ASP 60.A O no hydrogen 2.894 N/A VAL 64.A N ASP 60.A O no hydrogen 2.861 N/A PHE 65.A N GLY 61.A O no hydrogen 3.142 N/A ALA 67.A N MET 63.A O no hydrogen 2.918 N/A GLY 68.A N VAL 64.A O no hydrogen 3.118 N/A GLY 68.A N PHE 65.A O no hydrogen 2.951 N/A TYR 72.A N ARG 69.A O no hydrogen 3.034 N/A LYS 73.A N ARG 69.A O no hydrogen 3.210 N/A LEU 74.A N ALA 67.A O no hydrogen 2.865 N/A ARG 75.A N ALA 257.A O no hydrogen 3.022 N/A ARG 75.A NH1 PRO 311.A O no hydrogen 3.255 N/A ARG 75.A NH2 ILE 310.A O no hydrogen 3.522 N/A VAL 77.A N VAL 255.A O no hydrogen 2.789 N/A ALA 78.A N VAL 255.A O no hydrogen 3.516 N/A ALA 79.A N LEU 308.A O no hydrogen 2.806 N/A GLU 80.A N HIS 253.A O no hydrogen 3.007 N/A ILE 81.A N GLY 306.A O no hydrogen 2.674 N/A TYR 82.A N GLN 89.A O no hydrogen 2.808 N/A TYR 82.A OH GLU 80.A OE1 no hydrogen 2.501 N/A THR 84.A N SER 87.A O no hydrogen 3.001 N/A GLN 89.A N TYR 82.A O no hydrogen 3.228 N/A GLN 89.A NE2 GLU 211.A OE2 no hydrogen 3.178 N/A HIS 91.A NE2 TYR 93.A OH no hydrogen 3.011 N/A TYR 92.A N VAL 250.A O no hydrogen 2.706 N/A TYR 92.A OH HIS 253.A NE2 no hydrogen 2.910 N/A TYR 93.A N GLU 211.A OE1 no hydrogen 3.276 N/A ALA 94.A N ALA 248.A O no hydrogen 2.784 N/A VAL 95.A N VAL 209.A O no hydrogen 2.863 N/A VAL 97.A N ALA 207.A O no hydrogen 3.034 N/A VAL 98.A N GLU 228.A O no hydrogen 2.728 N/A LYS 99.A NZ LEU 199.A O no hydrogen 2.864 N/A LYS 99.A NZ GLN 200.A O no hydrogen 3.321 N/A LYS 100.A N GLN 226.A O no hydrogen 2.772 N/A SER 102.A N LYS 99.A O no hydrogen 3.408 N/A SER 102.A OG LYS 99.A O no hydrogen 2.994 N/A GLN 108.A N GLN 105.A O no hydrogen 2.877 N/A GLY 111.A N PHE 152.A O no hydrogen 2.797 N/A ARG 112.A N LEU 109.A O no hydrogen 2.915 N/A ASN 113.A N ASP 205.A OD2 no hydrogen 2.681 N/A ASN 113.A ND2 ALA 155.A O no hydrogen 3.679 N/A SER 114.A N ALA 155.A O no hydrogen 3.112 N/A HIS 116.A N CYS 157.A O no hydrogen 3.105 N/A LEU 119.A N PRO 159.A O no hydrogen 2.884 N/A SER 122.A N ASP 60.A OD2 no hydrogen 2.523 N/A SER 122.A OG ASP 60.A OD1 no hydrogen 3.491 N/A SER 122.A OG ASP 60.A OD2 no hydrogen 3.299 N/A SER 122.A OG TYR 324.A OH no hydrogen 2.757 N/A TRP 125.A N ARG 121.A O no hydrogen 2.851 N/A ASN 126.A N ARG 121.A O no hydrogen 2.938 N/A ASN 126.A ND2 GLY 120.A O no hydrogen 3.197 N/A ASN 126.A ND2 TYR 324.A OH no hydrogen 2.745 N/A ILE 127.A N SER 122.A O no hydrogen 3.032 N/A MET 129.A N TRP 125.A O no hydrogen 3.177 N/A GLY 130.A N ASN 126.A O no hydrogen 3.161 N/A ILE 131.A N ILE 127.A O no hydrogen 3.007 N/A LEU 132.A N PRO 128.A O no hydrogen 2.605 N/A ARG 133.A N GLY 130.A O no hydrogen 3.297 N/A ARG 133.A NH1 ASN 330.A O no hydrogen 3.416 N/A LEU 136.A N ARG 133.A O no hydrogen 3.216 N/A TRP 138.A NE1 GLU 143.A O no hydrogen 2.484 N/A GLU 140.A N GLU 140.A OE1 no hydrogen 2.699 N/A LEU 142.A N THR 139.A O no hydrogen 2.599 N/A GLU 143.A N THR 139.A O no hydrogen 3.116 N/A GLY 147.A N PRO 144.A O no hydrogen 2.797 N/A ALA 148.A N PRO 144.A O no hydrogen 3.447 N/A VAL 149.A N LEU 145.A O no hydrogen 2.886 N/A ALA 150.A N GLN 146.A O no hydrogen 2.779 N/A LYS 151.A N GLY 147.A O no hydrogen 3.201 N/A LYS 151.A N ALA 148.A O no hydrogen 3.031 N/A PHE 152.A N VAL 149.A O no hydrogen 2.886 N/A PHE 153.A N VAL 149.A O no hydrogen 3.158 N/A SER 154.A N ARG 112.A O no hydrogen 2.965 N/A SER 154.A OG GLY 111.A O no hydrogen 2.642 N/A SER 154.A OG ARG 112.A O no hydrogen 2.879 N/A SER 156.A N ASN 168.A O no hydrogen 3.273 N/A CYS 157.A N SER 114.A O no hydrogen 3.099 N/A CYS 157.A SG GLU 187.A OE2 no hydrogen 3.853 N/A VAL 158.A N LEU 169.A O no hydrogen 3.087 N/A CYS 160.A N CYS 181.A O no hydrogen 2.832 N/A VAL 161.A N VAL 158.A O no hydrogen 3.274 N/A GLN 164.A N ASP 162.A OD1 no hydrogen 3.004 N/A ALA 165.A N ASP 162.A OD2 no hydrogen 3.274 N/A TYR 166.A N ASP 162.A O no hydrogen 2.738 N/A ASN 168.A ND2 PHE 153.A O no hydrogen 3.636 N/A LEU 169.A N TYR 166.A O no hydrogen 3.069 N/A CYS 170.A N PRO 167.A O no hydrogen 2.693 N/A CYS 173.A N CYS 170.A O no hydrogen 3.215 N/A LYS 174.A N GLU 187.A OE2 no hydrogen 3.072 N/A ASN 179.A N GLU 176.A O no hydrogen 3.279 N/A ASN 179.A ND2 GLU 176.A O no hydrogen 3.016 N/A GLN 180.A N GLY 177.A O no hydrogen 3.409 N/A CYS 181.A N GLU 187.A OE1 no hydrogen 2.743 N/A CYS 181.A SG VAL 158.A O no hydrogen 3.414 N/A ALA 182.A N ASN 179.A O no hydrogen 2.901 N/A SER 184.A OG ALA 40.A O no hydrogen 3.527 N/A ARG 186.A N SER 184.A OG no hydrogen 3.287 N/A ARG 186.A NE SER 184.A OG no hydrogen 2.995 N/A ARG 186.A NH2 ALA 40.A O no hydrogen 2.852 N/A GLU 187.A N SER 184.A O no hydrogen 2.840 N/A TYR 189.A N GLU 187.A OE2 no hydrogen 3.367 N/A TYR 189.A OH ASP 201.A OD2 no hydrogen 2.821 N/A PHE 190.A N GLU 187.A O no hydrogen 3.152 N/A GLY 191.A N THR 117.A O no hydrogen 2.945 N/A TYR 192.A OH HIS 253.A NE2 no hydrogen 2.858 N/A SER 193.A OG ASN 217.A OD1 no hydrogen 3.488 N/A ALA 195.A N GLY 191.A O no hydrogen 3.252 N/A PHE 196.A N TYR 192.A O no hydrogen 3.085 N/A LYS 197.A N SER 193.A O no hydrogen 3.099 N/A CYS 198.A N GLY 194.A O no hydrogen 2.876 N/A LEU 199.A N ALA 195.A O no hydrogen 3.237 N/A LEU 199.A N PHE 196.A O no hydrogen 2.947 N/A GLN 200.A N PHE 196.A O no hydrogen 2.760 N/A ASP 201.A N LYS 197.A O no hydrogen 2.793 N/A GLY 202.A N LEU 199.A O no hydrogen 2.729 N/A ALA 203.A N CYS 198.A O no hydrogen 3.097 N/A GLY 204.A N CYS 198.A O no hydrogen 3.279 N/A ASP 205.A N ASN 113.A O no hydrogen 2.925 N/A VAL 206.A N ASN 113.A O no hydrogen 3.190 N/A ALA 207.A N VAL 97.A O no hydrogen 3.163 N/A PHE 208.A N CYS 115.A O no hydrogen 3.000 N/A VAL 209.A N VAL 95.A O no hydrogen 3.161 N/A GLU 211.A N TYR 93.A O no hydrogen 3.239 N/A THR 212.A OG1 GLU 216.A OE1 no hydrogen 2.840 N/A THR 213.A N LYS 210.A O no hydrogen 3.160 N/A THR 213.A OG1 LYS 210.A O no hydrogen 3.189 N/A GLU 216.A N THR 212.A O no hydrogen 3.037 N/A GLU 216.A N THR 213.A O no hydrogen 3.296 N/A ASN 217.A N THR 213.A O no hydrogen 3.244 N/A ASN 217.A N VAL 214.A O no hydrogen 3.064 N/A ASN 217.A ND2 SER 193.A OG no hydrogen 3.337 N/A ASN 217.A ND2 THR 213.A O no hydrogen 2.691 N/A LEU 218.A N VAL 214.A O no hydrogen 2.905 N/A LYS 221.A NZ ASP 225.A OD1 no hydrogen 2.852 N/A ASP 223.A N GLU 220.A O no hydrogen 2.672 N/A ARG 224.A N GLU 220.A O no hydrogen 3.302 N/A ARG 224.A NE LEU 218.A O no hydrogen 2.962 N/A ASP 225.A N LYS 221.A O no hydrogen 2.773 N/A GLN 226.A N ASP 223.A O no hydrogen 3.058 N/A TYR 227.A N ARG 224.A O no hydrogen 2.708 N/A GLU 228.A N VAL 98.A O no hydrogen 2.813 N/A LEU 229.A N ALA 237.A O no hydrogen 2.751 N/A LEU 230.A N ALA 96.A O no hydrogen 2.869 N/A CYS 231.A N THR 235.A O no hydrogen 2.674 N/A ASN 234.A N CYS 231.A O no hydrogen 3.035 N/A THR 235.A OG1 ASN 233.A OD1 no hydrogen 3.271 N/A ARG 236.A NE PHE 104.A O no hydrogen 2.793 N/A ARG 236.A NH2 PHE 104.A O no hydrogen 3.392 N/A ALA 237.A N LEU 229.A O no hydrogen 3.165 N/A ALA 241.A N PRO 238.A O no hydrogen 2.868 N/A GLU 244.A N ALA 241.A O no hydrogen 2.618 N/A CYS 245.A N ALA 241.A O no hydrogen 2.922 N/A HIS 246.A ND1 PHE 242.A O no hydrogen 2.879 N/A LEU 247.A N ALA 94.A O no hydrogen 2.750 N/A VAL 250.A N TYR 92.A O no hydrogen 2.664 N/A SER 252.A N THR 90.A O no hydrogen 3.058 N/A SER 252.A OG GLU 80.A O no hydrogen 2.784 N/A SER 252.A OG THR 90.A O no hydrogen 3.419 N/A SER 252.A OG HIS 253.A O no hydrogen 3.436 N/A SER 252.A OG TYR 319.A OH no hydrogen 3.194 N/A HIS 253.A N TYR 82.A OH no hydrogen 3.419 N/A HIS 253.A NE2 TYR 92.A OH no hydrogen 2.910 N/A ALA 254.A N LEU 59.A O no hydrogen 3.013 N/A VAL 255.A N ALA 78.A O no hydrogen 2.704 N/A VAL 256.A N VAL 57.A O no hydrogen 3.013 N/A ALA 257.A N ARG 75.A O no hydrogen 3.110 N/A ARG 258.A NE ILE 49.A O no hydrogen 3.183 N/A SER 259.A OG LYS 73.A O no hydrogen 2.876 N/A LYS 263.A NZ PRO 2.A O no hydrogen 3.349 N/A LYS 263.A NZ ASN 5.A O no hydrogen 3.001 N/A LYS 263.A NZ ASP 55.A OD1 no hydrogen 3.534 N/A LYS 263.A NZ ASP 55.A OD2 no hydrogen 2.923 N/A ILE 267.A N LYS 263.A O no hydrogen 2.833 N/A TRP 268.A N GLU 264.A O no hydrogen 2.868 N/A LYS 269.A N ASP 265.A O no hydrogen 2.755 N/A LEU 270.A N LEU 266.A O no hydrogen 3.183 N/A LEU 271.A N ILE 267.A O no hydrogen 3.072 N/A SER 272.A N TRP 268.A O no hydrogen 2.943 N/A SER 272.A OG TRP 268.A O no hydrogen 3.265 N/A SER 272.A OG LYS 269.A O no hydrogen 3.007 N/A LYS 273.A N LYS 269.A O no hydrogen 3.165 N/A LYS 273.A NZ GLU 276.A OE1 no hydrogen 2.813 N/A LYS 273.A NZ GLU 276.A OE2 no hydrogen 3.273 N/A ALA 274.A N LEU 270.A O no hydrogen 2.763 N/A GLN 275.A N LEU 271.A O no hydrogen 2.876 N/A GLU 276.A N SER 272.A O no hydrogen 3.319 N/A LYS 277.A N LYS 273.A O no hydrogen 3.054 N/A PHE 278.A N ALA 274.A O no hydrogen 2.873 N/A LYS 282.A N GLY 279.A O no hydrogen 3.044 N/A LYS 282.A NZ GLU 276.A O no hydrogen 3.138 N/A LYS 282.A NZ LYS 277.A O no hydrogen 2.911 N/A LEU 288.A N PHE 278.A O no hydrogen 3.149 N/A SER 291.A OG ASP 302.A OD1 no hydrogen 2.734 N/A SER 291.A OG ASP 302.A OD2 no hydrogen 3.291 N/A GLN 295.A N PRO 292.A O no hydrogen 2.865 N/A ARG 296.A NE SER 193.A OG no hydrogen 3.021 N/A ASP 297.A N ASP 302.A OD2 no hydrogen 2.648 N/A LEU 298.A N SER 291.A OG no hydrogen 3.301 N/A LEU 299.A N GLU 15.A OE2 no hydrogen 2.780 N/A PHE 300.A N LEU 298.A O no hydrogen 2.676 N/A LYS 301.A N GLU 80.A OE2 no hydrogen 2.883 N/A LYS 301.A NZ GLU 216.A OE1 no hydrogen 3.498 N/A LYS 301.A NZ GLU 216.A OE2 no hydrogen 2.908 N/A LYS 301.A NZ ASP 297.A OD1 no hydrogen 3.004 N/A LYS 301.A NZ ASP 302.A O no hydrogen 2.541 N/A ASP 302.A N ASP 297.A OD1 no hydrogen 2.750 N/A SER 303.A N PHE 289.A O no hydrogen 2.934 N/A LEU 305.A N ILE 81.A O no hydrogen 2.738 N/A PHE 307.A N GLN 275.A OE1 no hydrogen 2.896 N/A LEU 308.A N ALA 79.A O no hydrogen 2.752 N/A ILE 310.A N VAL 77.A O no hydrogen 2.847 N/A LYS 313.A NZ ASP 379.A OD1 no hydrogen 3.157 N/A VAL 314.A N PRO 311.A O no hydrogen 3.157 N/A SER 316.A OG LEU 74.A O no hydrogen 3.362 N/A LEU 318.A N ASP 315.A OD1 no hydrogen 3.085 N/A TYR 319.A N ASP 315.A O no hydrogen 2.735 N/A TYR 319.A OH SER 252.A O no hydrogen 2.714 N/A LEU 320.A N SER 316.A O no hydrogen 2.999 N/A GLY 321.A N ALA 317.A O no hydrogen 3.307 N/A TYR 324.A OH SER 122.A OG no hydrogen 2.757 N/A LEU 325.A N GLY 321.A O no hydrogen 2.876 N/A THR 326.A N SER 322.A O no hydrogen 2.878 N/A THR 326.A OG1 SER 322.A O no hydrogen 2.746 N/A ALA 327.A N ARG 323.A O no hydrogen 3.242 N/A LEU 328.A N TYR 324.A O no hydrogen 2.948 N/A LYS 329.A N LEU 325.A O no hydrogen 3.006 N/A LYS 329.A NZ LYS 386.A O no hydrogen 2.950 N/A ASN 330.A N THR 326.A O no hydrogen 2.839 N/A LEU 331.A N LEU 328.A O no hydrogen 2.941 N/A ARG 332.A N LEU 328.A O no hydrogen 3.317 N/A ARG 332.A N LYS 329.A O no hydrogen 3.110 N/A ARG 332.A NH2 GLU 66.A OE1 no hydrogen 2.967 N/A GLU 333.A N LYS 329.A O no hydrogen 3.066 N/A THR 334.A N GLU 337.A OE1 no hydrogen 2.903 N/A ALA 340.A N GLU 336.A O no hydrogen 2.775 N/A ARG 341.A NH1 ARG 341.A O no hydrogen 2.618 N/A ARG 341.A NH1 ASP 390.A OD1 no hydrogen 3.158 N/A ARG 341.A NH1 ASP 390.A OD2 no hydrogen 2.761 N/A ARG 341.A NH2 GLY 387.A O no hydrogen 3.117 N/A ARG 341.A NH2 ASP 390.A OD1 no hydrogen 2.597 N/A ARG 342.A N VAL 338.A O no hydrogen 3.071 N/A ARG 342.A N GLN 339.A O no hydrogen 3.225 N/A ALA 343.A N GLN 339.A O no hydrogen 2.965 N/A ARG 344.A N ALA 340.A O no hydrogen 3.307 N/A VAL 345.A N ILE 368.A O no hydrogen 3.040 N/A VAL 346.A N ASP 390.A OD2 no hydrogen 3.212 N/A TRP 347.A N THR 370.A O no hydrogen 2.739 N/A CYS 348.A N ALA 391.A O no hydrogen 3.004 N/A CYS 348.A SG ALA 372.A O no hydrogen 4.018 N/A ALA 349.A N ALA 372.A O no hydrogen 2.701 N/A VAL 350.A N GLU 354.A OE1 no hydrogen 2.965 N/A GLY 351.A N ALA 374.A O no hydrogen 2.995 N/A GLN 355.A N GLY 351.A O no hydrogen 3.017 N/A LYS 356.A N PRO 352.A O no hydrogen 3.054 N/A LYS 357.A N GLU 353.A O no hydrogen 3.178 N/A LYS 357.A NZ LEU 631.A O no hydrogen 2.698 N/A LYS 357.A NZ LYS 633.A O no hydrogen 3.420 N/A LYS 357.A NZ LEU 639.A O no hydrogen 2.756 N/A CYS 358.A N GLU 354.A O no hydrogen 2.914 N/A GLN 359.A N GLN 355.A O no hydrogen 2.885 N/A GLN 360.A N LYS 356.A O no hydrogen 3.174 N/A TRP 361.A N LYS 357.A O no hydrogen 2.951 N/A TRP 361.A NE1 GLN 614.A OE1 no hydrogen 2.991 N/A SER 362.A N CYS 358.A O no hydrogen 2.737 N/A SER 362.A OG VAL 369.A O no hydrogen 2.650 N/A GLN 363.A N GLN 359.A O no hydrogen 3.150 N/A GLN 364.A N GLN 360.A O no hydrogen 2.988 N/A SER 365.A N TRP 361.A O no hydrogen 2.877 N/A SER 365.A OG SER 362.A O no hydrogen 2.846 N/A GLY 366.A N SER 362.A O no hydrogen 3.276 N/A GLY 366.A N GLN 363.A O no hydrogen 3.242 N/A GLN 367.A N SER 362.A O no hydrogen 2.924 N/A ILE 368.A N SER 365.A OG no hydrogen 3.209 N/A VAL 369.A N SER 365.A OG no hydrogen 3.346 N/A THR 370.A N VAL 345.A O no hydrogen 2.835 N/A ALA 372.A N TRP 347.A O no hydrogen 2.876 N/A ALA 374.A N ALA 349.A O no hydrogen 2.997 N/A ASP 379.A N THR 376.A OG1 no hydrogen 3.206 N/A CYS 380.A N THR 376.A O no hydrogen 3.066 N/A CYS 380.A SG ALA 349.A O no hydrogen 3.779 N/A ILE 381.A N THR 377.A O no hydrogen 2.876 N/A ALA 382.A N ASP 378.A O no hydrogen 3.145 N/A LEU 383.A N ASP 379.A O no hydrogen 3.068 N/A VAL 384.A N CYS 380.A O no hydrogen 3.067 N/A VAL 384.A N ILE 381.A O no hydrogen 3.051 N/A LEU 385.A N ILE 381.A O no hydrogen 3.113 N/A LYS 386.A N ALA 382.A O no hydrogen 3.000 N/A LYS 386.A NZ ASP 315.A OD2 no hydrogen 2.935 N/A GLY 387.A N VAL 384.A O no hydrogen 3.124 N/A GLU 388.A N LEU 383.A O no hydrogen 2.811 N/A ALA 389.A N LEU 383.A O no hydrogen 3.089 N/A ASP 390.A N VAL 346.A O no hydrogen 2.667 N/A ALA 391.A N VAL 346.A O no hydrogen 3.232 N/A SER 393.A OG GLU 413.A OE2 no hydrogen 2.563 N/A LEU 394.A N ALA 596.A O no hydrogen 2.633 N/A GLY 397.A N ASP 395.A OD2 no hydrogen 3.160 N/A TYR 398.A N ASP 395.A O no hydrogen 3.000 N/A ILE 399.A N ASP 395.A O no hydrogen 3.021 N/A ALA 402.A N TYR 398.A O no hydrogen 2.763 N/A GLY 403.A N ILE 399.A O no hydrogen 2.960 N/A LYS 404.A N TYR 400.A O no hydrogen 2.799 N/A LYS 404.A NZ TYR 657.A OH no hydrogen 3.435 N/A CYS 405.A N ALA 402.A O no hydrogen 3.126 N/A CYS 405.A SG THR 401.A O no hydrogen 3.144 N/A GLY 406.A N GLY 403.A O no hydrogen 2.842 N/A LEU 407.A N ALA 402.A O no hydrogen 2.926 N/A VAL 408.A N SER 599.A O no hydrogen 2.844 N/A VAL 410.A N VAL 597.A O no hydrogen 2.778 N/A ALA 412.A N ALA 649.A O no hydrogen 2.887 N/A GLU 413.A N HIS 595.A O no hydrogen 2.774 N/A ASN 414.A N CYS 647.A O no hydrogen 2.719 N/A ARG 415.A NH1 GLY 432.A O no hydrogen 3.450 N/A SER 417.A OG LYS 419.A O no hydrogen 2.633 N/A SER 417.A OG GLU 431.A OE2 no hydrogen 3.002 N/A LEU 423.A N HIS 420.A O no hydrogen 3.363 N/A CYS 425.A SG ASN 414.A OD1 no hydrogen 3.864 N/A LEU 427.A N ASP 424.A O no hydrogen 2.977 N/A ARG 428.A N CYS 425.A O no hydrogen 3.374 N/A ARG 428.A NH2 GLU 646.A OE1 no hydrogen 2.733 N/A TYR 433.A N ALA 592.A O no hydrogen 3.020 N/A TYR 433.A OH HIS 595.A NE2 no hydrogen 3.022 N/A ALA 435.A N ALA 590.A O no hydrogen 2.734 N/A VAL 436.A N VAL 543.A O no hydrogen 2.670 N/A VAL 438.A N ALA 541.A O no hydrogen 3.011 N/A VAL 439.A N ARG 570.A O no hydrogen 2.862 N/A LYS 440.A NZ ALA 534.A O no hydrogen 2.686 N/A LYS 440.A NZ ASP 536.A OD1 no hydrogen 2.529 N/A LYS 441.A N ASP 568.A O no hydrogen 2.690 N/A ASN 443.A N LYS 440.A O no hydrogen 2.739 N/A ASN 443.A ND2 ASP 539.A O no hydrogen 3.570 N/A GLU 444.A N ALA 442.A O no hydrogen 2.493 N/A THR 447.A N SER 450.A OG no hydrogen 2.666 N/A THR 447.A OG1 SER 450.A OG no hydrogen 3.419 N/A TRP 448.A NE1 GLN 477.A OE1 no hydrogen 2.989 N/A SER 450.A N THR 447.A O no hydrogen 2.953 N/A SER 450.A OG GLY 445.A O no hydrogen 3.259 N/A SER 450.A OG THR 447.A O no hydrogen 2.843 N/A SER 450.A OG THR 447.A OG1 no hydrogen 3.419 N/A LEU 451.A N TRP 448.A O no hydrogen 3.285 N/A GLY 453.A N PHE 486.A O no hydrogen 2.917 N/A LYS 454.A N LEU 451.A O no hydrogen 3.045 N/A LYS 455.A NZ ASP 539.A OD1 no hydrogen 2.838 N/A LYS 455.A NZ ASP 539.A OD2 no hydrogen 3.477 N/A SER 456.A N GLN 489.A O no hydrogen 3.088 N/A SER 456.A OG HIS 458.A NE2 no hydrogen 2.576 N/A CYS 457.A N VAL 540.A O no hydrogen 2.932 N/A CYS 457.A SG VAL 540.A O no hydrogen 3.966 N/A HIS 458.A N CYS 491.A O no hydrogen 2.754 N/A HIS 458.A ND1 GLY 466.A O no hydrogen 2.810 N/A VAL 461.A N PRO 493.A O no hydrogen 2.820 N/A THR 464.A N ASP 395.A OD2 no hydrogen 2.614 N/A THR 464.A OG1 ASP 395.A OD1 no hydrogen 3.371 N/A THR 464.A OG1 ASP 395.A OD2 no hydrogen 3.277 N/A THR 464.A OG1 TYR 665.A OH no hydrogen 2.786 N/A TRP 467.A N THR 464.A O no hydrogen 3.380 N/A ASN 468.A N ARG 463.A O no hydrogen 2.856 N/A ASN 468.A ND2 ASP 462.A O no hydrogen 3.538 N/A ASN 468.A ND2 TYR 665.A OH no hydrogen 2.937 N/A ILE 469.A N THR 464.A O no hydrogen 3.053 N/A MET 471.A N TRP 467.A O no hydrogen 2.929 N/A GLY 472.A N ASN 468.A O no hydrogen 2.891 N/A LEU 473.A N ILE 469.A O no hydrogen 2.980 N/A ILE 474.A N PRO 470.A O no hydrogen 2.795 N/A ALA 475.A N MET 471.A O no hydrogen 2.896 N/A ASN 476.A N GLY 472.A O no hydrogen 3.107 N/A GLN 477.A N LEU 473.A O no hydrogen 3.183 N/A THR 478.A N ILE 474.A O no hydrogen 2.712 N/A THR 478.A OG1 ILE 474.A O no hydrogen 2.790 N/A GLY 479.A N ALA 475.A O no hydrogen 2.567 N/A ALA 482.A N SER 480.A OG no hydrogen 2.840 N/A PHE 486.A N PHE 483.A O no hydrogen 2.854 N/A SER 488.A N LYS 454.A O no hydrogen 2.860 N/A SER 488.A OG GLY 453.A O no hydrogen 3.082 N/A SER 488.A OG LYS 454.A O no hydrogen 3.342 N/A SER 490.A N ARG 500.A O no hydrogen 3.075 N/A CYS 491.A N SER 456.A O no hydrogen 2.776 N/A ALA 492.A N LEU 501.A O no hydrogen 2.824 N/A GLY 494.A N CYS 515.A O no hydrogen 2.922 N/A ALA 495.A N ALA 492.A O no hydrogen 3.217 N/A LYS 498.A N ASP 496.A OD1 no hydrogen 2.981 N/A SER 499.A N ASP 496.A O no hydrogen 2.732 N/A ARG 500.A NE ASP 484.A O no hydrogen 2.815 N/A LEU 501.A N SER 499.A OG no hydrogen 3.204 N/A CYS 502.A N SER 499.A O no hydrogen 3.376 N/A CYS 502.A SG ALA 495.A O no hydrogen 3.364 N/A CYS 502.A SG ASP 496.A O no hydrogen 3.328 N/A LEU 504.A N SER 490.A O no hydrogen 3.076 N/A CYS 505.A N CYS 502.A O no hydrogen 3.331 N/A ALA 506.A N GLU 521.A OE2 no hydrogen 2.806 N/A GLY 507.A N GLU 521.A OE1 no hydrogen 2.988 N/A GLY 507.A N GLU 521.A OE2 no hydrogen 3.448 N/A ASP 508.A N LEU 512.A O no hydrogen 2.639 N/A GLN 510.A N ASP 508.A OD1 no hydrogen 2.879 N/A GLY 511.A N ASP 508.A O no hydrogen 2.943 N/A LEU 512.A N ASP 508.A OD1 no hydrogen 2.816 N/A CYS 515.A N GLU 521.A OE1 no hydrogen 2.675 N/A CYS 515.A SG ALA 492.A O no hydrogen 3.669 N/A VAL 516.A N ASP 513.A O no hydrogen 3.210 N/A ASN 518.A N VAL 516.A O no hydrogen 2.731 N/A ASN 518.A ND2 SER 375.A O no hydrogen 2.864 N/A LYS 520.A N ASN 518.A OD1 no hydrogen 2.858 N/A GLU 521.A N ASN 518.A O no hydrogen 2.943 N/A LYS 522.A N GLY 507.A O no hydrogen 3.120 N/A TYR 523.A N GLU 521.A OE2 no hydrogen 3.065 N/A TYR 523.A OH GLU 535.A OE1 no hydrogen 2.611 N/A TYR 524.A N GLU 521.A O no hydrogen 3.032 N/A GLY 525.A N THR 459.A O no hydrogen 2.838 N/A TYR 526.A OH HIS 595.A NE2 no hydrogen 2.837 N/A THR 527.A OG1 THR 636.A O no hydrogen 3.524 N/A ALA 529.A N GLY 525.A O no hydrogen 2.882 N/A PHE 530.A N TYR 526.A O no hydrogen 3.113 N/A ARG 531.A N THR 527.A O no hydrogen 2.868 N/A ARG 531.A NE GLU 535.A OE2 no hydrogen 2.834 N/A ARG 531.A NH2 GLU 535.A OE2 no hydrogen 3.162 N/A CYS 532.A N GLY 528.A O no hydrogen 2.952 N/A LEU 533.A N ALA 529.A O no hydrogen 3.271 N/A ALA 534.A N PHE 530.A O no hydrogen 2.820 N/A GLU 535.A N ARG 531.A O no hydrogen 2.892 N/A ASP 536.A N LEU 533.A O no hydrogen 2.697 N/A VAL 537.A N CYS 532.A O no hydrogen 2.961 N/A GLY 538.A N CYS 532.A O no hydrogen 3.372 N/A ASP 539.A N LYS 455.A O no hydrogen 2.829 N/A VAL 540.A N LYS 455.A O no hydrogen 3.285 N/A ALA 541.A N VAL 438.A O no hydrogen 3.080 N/A PHE 542.A N CYS 457.A O no hydrogen 3.104 N/A VAL 543.A N VAL 436.A O no hydrogen 3.116 N/A ASN 545.A N LEU 434.A O no hydrogen 2.926 N/A THR 547.A N LYS 544.A O no hydrogen 3.056 N/A VAL 548.A N ASN 545.A O no hydrogen 3.072 N/A TRP 549.A NE1 VAL 581.A O no hydrogen 2.989 N/A GLU 550.A N ASP 546.A O no hydrogen 2.921 N/A ASN 551.A ND2 THR 547.A O no hydrogen 2.938 N/A THR 552.A OG1 VAL 548.A O no hydrogen 2.643 N/A THR 552.A OG1 TRP 549.A O no hydrogen 3.484 N/A ASN 553.A N LEU 564.A O no hydrogen 2.686 N/A SER 556.A OG ASN 551.A OD1 no hydrogen 3.262 N/A THR 557.A OG1 SER 556.A O no hydrogen 2.519 N/A ALA 561.A N ALA 558.A O no hydrogen 2.763 N/A LYS 562.A N ALA 558.A O no hydrogen 2.785 N/A LEU 564.A N ALA 561.A O no hydrogen 2.815 N/A ASN 565.A N ASP 568.A OD2 no hydrogen 3.360 N/A ARG 566.A N ASN 553.A OD1 no hydrogen 3.105 N/A ARG 566.A NE THR 552.A OG1 no hydrogen 3.044 N/A ARG 566.A NH2 TRP 549.A O no hydrogen 3.042 N/A ARG 566.A NH2 THR 552.A OG1 no hydrogen 3.129 N/A ASP 568.A N ASN 565.A O no hydrogen 2.720 N/A ARG 570.A N VAL 439.A O no hydrogen 2.881 N/A ARG 570.A NH1 PHE 569.A O no hydrogen 3.282 N/A LEU 571.A N LYS 579.A O no hydrogen 2.797 N/A LEU 572.A N ALA 437.A O no hydrogen 2.831 N/A CYS 573.A N THR 577.A O no hydrogen 2.784 N/A CYS 573.A SG THR 577.A O no hydrogen 3.383 N/A THR 577.A N ASP 575.A OD1 no hydrogen 3.044 N/A ARG 578.A NH1 ASN 443.A O no hydrogen 2.935 N/A ARG 578.A NH1 LEU 446.A O no hydrogen 3.004 N/A ARG 578.A NH2 LYS 441.A O no hydrogen 2.967 N/A LYS 579.A N LEU 571.A O no hydrogen 2.976 N/A GLU 583.A N PRO 580.A O no hydrogen 2.929 N/A SER 586.A N GLU 583.A O no hydrogen 3.161 N/A SER 586.A OG GLU 583.A O no hydrogen 3.362 N/A CYS 587.A N GLU 583.A O no hydrogen 2.733 N/A CYS 587.A SG LEU 571.A O no hydrogen 3.775 N/A LEU 589.A N ALA 435.A O no hydrogen 2.720 N/A ALA 592.A N TYR 433.A O no hydrogen 2.751 N/A ASN 594.A ND2 GLU 413.A O no hydrogen 2.839 N/A HIS 595.A NE2 TYR 433.A OH no hydrogen 3.022 N/A ALA 596.A N LEU 394.A O no hydrogen 3.050 N/A VAL 597.A N LEU 411.A O no hydrogen 2.878 N/A VAL 598.A N LEU 392.A O no hydrogen 2.995 N/A SER 599.A N VAL 408.A O no hydrogen 3.228 N/A SER 599.A OG LEU 600.A O no hydrogen 3.448 N/A ARG 603.A N LEU 600.A O no hydrogen 2.683 N/A ARG 603.A NE ASP 390.A OD1 no hydrogen 3.357 N/A ARG 603.A NH1 ARG 342.A O no hydrogen 2.604 N/A ARG 603.A NH2 ARG 342.A O no hydrogen 3.146 N/A ARG 603.A NH2 ARG 344.A O no hydrogen 2.683 N/A ALA 604.A N LEU 600.A O no hydrogen 2.779 N/A VAL 607.A N ARG 603.A O no hydrogen 3.093 N/A GLU 608.A N ALA 604.A O no hydrogen 3.091 N/A GLN 609.A N ALA 605.A O no hydrogen 3.505 N/A VAL 610.A N HIS 606.A O no hydrogen 3.010 N/A LEU 611.A N VAL 607.A O no hydrogen 2.806 N/A LEU 612.A N GLU 608.A O no hydrogen 2.802 N/A GLN 614.A N VAL 610.A O no hydrogen 2.911 N/A GLN 615.A N LEU 611.A O no hydrogen 2.891 N/A GLN 615.A NE2 LEU 648.A O no hydrogen 3.419 N/A ALA 616.A N HIS 613.A O no hydrogen 2.867 N/A LEU 617.A N GLN 614.A O no hydrogen 2.750 N/A PHE 618.A N GLN 614.A O no hydrogen 3.051 N/A GLY 622.A N GLY 619.A O no hydrogen 2.933 N/A LYS 623.A N ALA 616.A O no hydrogen 3.200 N/A ASN 624.A N LEU 617.A O no hydrogen 2.769 N/A CYS 625.A N GLY 622.A O no hydrogen 3.424 N/A CYS 625.A SG PHE 618.A O no hydrogen 3.627 N/A CYS 625.A SG GLY 619.A O no hydrogen 3.161 N/A LYS 628.A N ASN 624.A O no hydrogen 2.669 N/A PHE 629.A N ASN 624.A O no hydrogen 2.927 N/A LEU 631.A N PHE 618.A O no hydrogen 2.761 N/A LYS 633.A NZ GLU 620.A OE1 no hydrogen 2.987 N/A LYS 633.A NZ PHE 632.A O no hydrogen 3.417 N/A LYS 633.A NZ ASP 643.A O no hydrogen 3.406 N/A LYS 633.A NZ THR 645.A O no hydrogen 3.412 N/A SER 634.A N ASP 643.A OD1 no hydrogen 2.788 N/A SER 634.A OG ASP 643.A OD1 no hydrogen 2.423 N/A THR 636.A OG1 GLU 635.A O no hydrogen 2.808 N/A LYS 637.A N SER 634.A O no hydrogen 3.065 N/A LYS 637.A NZ GLU 353.A OE1 no hydrogen 3.367 N/A LYS 637.A NZ GLU 635.A OE2 no hydrogen 3.014 N/A ASN 638.A N ASP 643.A OD2 no hydrogen 3.170 N/A LEU 639.A N SER 634.A OG no hydrogen 2.794 N/A LEU 640.A N GLU 354.A OE2 no hydrogen 2.901 N/A ASN 642.A N GLU 413.A OE1 no hydrogen 3.030 N/A ASN 642.A ND2 HIS 595.A ND1 no hydrogen 3.624 N/A THR 645.A N ASN 642.A O no hydrogen 3.295 N/A THR 645.A OG1 GLU 413.A OE1 no hydrogen 2.873 N/A THR 645.A OG1 ASN 642.A O no hydrogen 3.406 N/A GLU 646.A N ASN 414.A O no hydrogen 2.805 N/A CYS 647.A N ASN 414.A O no hydrogen 3.350 N/A LEU 648.A N GLN 615.A OE1 no hydrogen 2.772 N/A ALA 649.A N ALA 412.A O no hydrogen 2.772 N/A LYS 650.A N VAL 426.A O no hydrogen 3.039 N/A THR 656.A N GLU 659.A OE1 no hydrogen 3.457 N/A THR 656.A OG1 GLU 659.A OE1 no hydrogen 3.041 N/A TYR 660.A N THR 656.A O no hydrogen 2.965 N/A TYR 660.A OH ASN 594.A O no hydrogen 2.780 N/A LEU 661.A N TYR 657.A O no hydrogen 2.929 N/A GLY 662.A N GLU 658.A O no hydrogen 3.061 N/A TYR 665.A OH THR 464.A OG1 no hydrogen 2.786 N/A VAL 666.A N GLY 662.A O no hydrogen 3.094 N/A THR 667.A N THR 663.A O no hydrogen 3.159 N/A THR 667.A OG1 THR 663.A O no hydrogen 2.683 N/A ALA 668.A N GLU 664.A O no hydrogen 3.403 N/A ILE 669.A N TYR 665.A O no hydrogen 3.029 N/A ALA 670.A N VAL 666.A O no hydrogen 2.971 N/A ASN 671.A N THR 667.A O no hydrogen 2.845 N/A ASN 671.A ND2 THR 667.A O no hydrogen 3.634 N/A LEU 672.A N ALA 668.A O no hydrogen 3.316 N/A LYS 673.A N ILE 669.A O no hydrogen 2.716 N/A CYS 675.A N LEU 672.A O no hydrogen 3.200 N/A SER 676.A N LYS 673.A O no hydrogen 3.114 N/A LEU 681.A N SER 678.A OG no hydrogen 3.343 N/A GLU 682.A N SER 678.A O no hydrogen 2.858 N/A ALA 683.A N PRO 679.A O no hydrogen 2.840 N/A CYS 684.A N LEU 680.A O no hydrogen 2.900 N/A CYS 684.A SG LEU 680.A O no hydrogen 3.331 N/A ALA 685.A N LEU 681.A O no hydrogen 3.211 N/A ALA 685.A N GLU 682.A O no hydrogen 2.939 N/A PHE 686.A N GLU 682.A O no hydrogen 3.282 N/A LEU 687.A N CYS 684.A O no hydrogen 2.979 N/A THR 688.A N ALA 685.A O no hydrogen 3.202 N/A THR 688.A OG1 ALA 685.A O no hydrogen 3.126 N/A THR 688.A OG1 ARG 689.A OXT no hydrogen 3.302 N/A ARG 689.A N PHE 686.A O no hydrogen 2.697 N/A