Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3v83_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N SER 33.A O no hydrogen 2.765 N/A ARG 4.A N ASP 55.A OD1 no hydrogen 2.972 N/A ARG 4.A NE ASP 55.A OD1 no hydrogen 2.850 N/A ARG 4.A NH1 ASN 52.A O no hydrogen 2.847 N/A ARG 4.A NH2 ASN 52.A O no hydrogen 3.347 N/A ARG 4.A NH2 ASP 55.A OD1 no hydrogen 3.525 N/A ARG 4.A NH2 ASP 55.A OD2 no hydrogen 2.656 N/A TRP 5.A N ALA 35.A O no hydrogen 2.721 N/A CYS 6.A N ALA 56.A O no hydrogen 2.859 N/A CYS 6.A SG VAL 37.A O no hydrogen 3.978 N/A ALA 7.A N VAL 37.A O no hydrogen 2.765 N/A VAL 8.A N GLU 12.A OE1 no hydrogen 2.704 N/A SER 9.A N LYS 39.A O no hydrogen 3.081 N/A SER 9.A OG SER 177.A OG no hydrogen 2.813 N/A ALA 13.A N SER 9.A O no hydrogen 3.148 N/A THR 14.A N GLU 10.A O no hydrogen 2.872 N/A THR 14.A OG1 GLU 10.A O no hydrogen 2.965 N/A LYS 15.A N HIS 11.A O no hydrogen 3.109 N/A LYS 15.A NZ LEU 281.A O no hydrogen 2.701 N/A LYS 15.A NZ SER 283.A O no hydrogen 3.239 N/A LYS 15.A NZ LEU 290.A O no hydrogen 2.786 N/A CYS 16.A N GLU 12.A O no hydrogen 2.774 N/A GLN 17.A N ALA 13.A O no hydrogen 2.910 N/A SER 18.A N THR 14.A O no hydrogen 3.154 N/A SER 18.A OG THR 14.A O no hydrogen 3.196 N/A PHE 19.A N LYS 15.A O no hydrogen 2.907 N/A ARG 20.A N CYS 16.A O no hydrogen 2.965 N/A ARG 20.A NH1 VAL 34.A O no hydrogen 2.663 N/A ASP 21.A N GLN 17.A O no hydrogen 2.924 N/A HIS 22.A N SER 18.A O no hydrogen 2.807 N/A HIS 22.A ND1 SER 18.A O no hydrogen 3.031 N/A MET 23.A N PHE 19.A O no hydrogen 2.936 N/A LYS 24.A N ARG 20.A O no hydrogen 3.117 N/A LYS 24.A NZ SER 33.A OG no hydrogen 2.917 N/A SER 25.A N ASP 21.A O no hydrogen 3.207 N/A SER 25.A N HIS 22.A O no hydrogen 3.244 N/A SER 25.A OG ASP 21.A O no hydrogen 3.025 N/A VAL 26.A N MET 23.A O no hydrogen 3.240 N/A ILE 27.A N MET 23.A O no hydrogen 2.950 N/A GLY 31.A N PRO 28.A O no hydrogen 3.113 N/A SER 33.A N LYS 1.A O no hydrogen 3.116 N/A ALA 35.A N VAL 3.A O no hydrogen 2.727 N/A VAL 37.A N TRP 5.A O no hydrogen 2.838 N/A LYS 38.A NZ GLU 10.A OE1 no hydrogen 3.503 N/A LYS 38.A NZ GLU 10.A OE2 no hydrogen 2.943 N/A LYS 39.A N ALA 7.A O no hydrogen 2.861 N/A SER 41.A OG ASP 44.A OD2 no hydrogen 3.235 N/A TYR 42.A OH ASP 66.A OD2 no hydrogen 3.363 N/A ASP 44.A N SER 41.A OG no hydrogen 3.178 N/A CYS 45.A N SER 41.A O no hydrogen 3.112 N/A CYS 45.A SG SER 41.A O no hydrogen 3.503 N/A ILE 46.A N TYR 42.A O no hydrogen 2.894 N/A ARG 47.A N LEU 43.A O no hydrogen 3.099 N/A ALA 48.A N ASP 44.A O no hydrogen 2.882 N/A ILE 49.A N CYS 45.A O no hydrogen 2.860 N/A ALA 50.A N ILE 46.A O no hydrogen 2.895 N/A ALA 51.A N ARG 47.A O no hydrogen 2.994 N/A ALA 51.A N ALA 48.A O no hydrogen 3.229 N/A ASN 52.A N ILE 49.A O no hydrogen 3.053 N/A GLU 53.A N ALA 48.A O no hydrogen 2.857 N/A ASP 55.A N ARG 4.A O no hydrogen 2.754 N/A ALA 56.A N ARG 4.A O no hydrogen 3.219 N/A THR 58.A OG1 LEU 291.A O no hydrogen 2.922 N/A LEU 59.A N THR 247.A O no hydrogen 2.848 N/A GLY 62.A N ASP 60.A OD2 no hydrogen 2.752 N/A VAL 64.A N ASP 60.A O no hydrogen 3.109 N/A VAL 64.A N ALA 61.A O no hydrogen 3.030 N/A TYR 65.A N GLY 62.A O no hydrogen 3.208 N/A ALA 67.A N LEU 63.A O no hydrogen 3.183 N/A ALA 67.A N VAL 64.A O no hydrogen 3.128 N/A TYR 68.A N VAL 64.A O no hydrogen 3.024 N/A TYR 68.A N TYR 65.A O no hydrogen 3.313 N/A ASN 72.A N LEU 69.A O no hydrogen 2.881 N/A ASN 73.A N LEU 69.A O no hydrogen 3.047 N/A LEU 74.A N ALA 67.A O no hydrogen 2.831 N/A LYS 75.A N ALA 250.A O no hydrogen 2.744 N/A LYS 75.A NZ GLU 257.A OE1 no hydrogen 3.069 N/A VAL 77.A N VAL 248.A O no hydrogen 2.915 N/A VAL 78.A N VAL 248.A O no hydrogen 3.523 N/A ALA 79.A N LEU 300.A O no hydrogen 2.786 N/A GLU 80.A N HIS 246.A O no hydrogen 3.032 N/A PHE 81.A N GLY 298.A O no hydrogen 3.028 N/A TYR 82.A N GLN 89.A O no hydrogen 2.788 N/A TYR 82.A OH GLU 80.A OE2 no hydrogen 2.701 N/A LYS 85.A NZ ASP 274.A OD2 no hydrogen 3.386 N/A ASP 87.A N SER 84.A O no hydrogen 3.212 N/A ASP 87.A N SER 84.A OG no hydrogen 2.935 N/A GLN 89.A N TYR 82.A O no hydrogen 2.787 N/A THR 90.A OG1 PHE 673.A O no hydrogen 3.284 N/A TYR 92.A N VAL 243.A O no hydrogen 3.056 N/A TYR 93.A N HIS 204.A ND1 no hydrogen 3.189 N/A ALA 94.A N ALA 241.A O no hydrogen 2.876 N/A VAL 95.A N VAL 202.A O no hydrogen 2.889 N/A VAL 97.A N ALA 200.A O no hydrogen 2.820 N/A VAL 98.A N GLU 221.A O no hydrogen 2.953 N/A LYS 99.A NZ LEU 192.A O no hydrogen 2.995 N/A LYS 100.A N GLN 219.A O no hydrogen 2.723 N/A LYS 100.A NZ ASP 218.A O no hydrogen 2.841 N/A SER 102.A OG LYS 99.A O no hydrogen 3.032 N/A GLN 105.A N GLN 108.A OE1 no hydrogen 2.832 N/A GLN 108.A N GLN 105.A O no hydrogen 2.802 N/A GLY 111.A N PHE 150.A O no hydrogen 2.911 N/A LYS 112.A N LEU 109.A O no hydrogen 3.016 N/A LYS 112.A NZ GLN 108.A O no hydrogen 3.021 N/A LYS 112.A NZ ARG 110.A O no hydrogen 3.491 N/A LYS 113.A N ASP 198.A OD2 no hydrogen 2.876 N/A LYS 113.A NZ SER 152.A O no hydrogen 2.597 N/A LYS 113.A NZ SER 152.A OG no hydrogen 3.188 N/A SER 114.A N GLY 153.A O no hydrogen 3.152 N/A SER 114.A OG HIS 116.A NE2 no hydrogen 2.891 N/A CYS 115.A N VAL 199.A O no hydrogen 2.807 N/A CYS 115.A SG VAL 199.A O no hydrogen 3.638 N/A HIS 116.A N CYS 155.A O no hydrogen 2.964 N/A HIS 116.A ND1 GLY 124.A O no hydrogen 2.775 N/A HIS 116.A NE2 SER 114.A OG no hydrogen 2.891 N/A LEU 119.A N PRO 157.A O no hydrogen 2.701 N/A ARG 121.A N GLY 118.A O no hydrogen 3.206 N/A SER 122.A N ASP 60.A OD1 no hydrogen 3.202 N/A SER 122.A N ASP 60.A OD2 no hydrogen 2.852 N/A SER 122.A OG ASP 60.A OD1 no hydrogen 3.231 N/A SER 122.A OG ASP 60.A OD2 no hydrogen 3.320 N/A SER 122.A OG TYR 316.A OH no hydrogen 2.579 N/A TRP 125.A N ARG 121.A O no hydrogen 2.992 N/A ASN 126.A N ARG 121.A O no hydrogen 2.809 N/A ASN 126.A ND2 GLY 120.A O no hydrogen 3.121 N/A ASN 126.A ND2 TYR 316.A OH no hydrogen 3.087 N/A ILE 127.A N SER 122.A O no hydrogen 3.011 N/A ILE 129.A N TRP 125.A O no hydrogen 2.950 N/A GLY 130.A N ASN 126.A O no hydrogen 2.901 N/A LEU 131.A N ILE 127.A O no hydrogen 3.189 N/A LEU 131.A N PRO 128.A O no hydrogen 3.106 N/A LEU 132.A N ILE 129.A O no hydrogen 3.111 N/A TYR 133.A N ILE 129.A O no hydrogen 2.891 N/A TYR 133.A OH THR 327.A O no hydrogen 2.479 N/A ASP 135.A N LEU 132.A O no hydrogen 2.942 N/A LEU 136.A N TYR 133.A O no hydrogen 3.068 N/A ARG 140.A N GLU 138.A OE2 no hydrogen 2.634 N/A ARG 140.A NE TYR 133.A O no hydrogen 3.166 N/A ARG 140.A NE LEU 136.A O no hydrogen 2.982 N/A GLU 144.A N GLU 144.A OE1 no hydrogen 3.038 N/A ALA 146.A N PRO 142.A O no hydrogen 3.345 N/A VAL 147.A N LEU 143.A O no hydrogen 2.902 N/A ALA 148.A N GLU 144.A O no hydrogen 2.798 N/A ASN 149.A N LYS 145.A O no hydrogen 2.891 N/A PHE 150.A N ALA 146.A O no hydrogen 3.055 N/A PHE 150.A N VAL 147.A O no hydrogen 3.214 N/A PHE 151.A N VAL 147.A O no hydrogen 3.234 N/A SER 152.A N LYS 112.A O no hydrogen 2.984 N/A SER 152.A OG GLY 111.A O no hydrogen 2.850 N/A SER 154.A N GLN 166.A O no hydrogen 3.004 N/A SER 154.A OG SER 114.A OG no hydrogen 2.634 N/A CYS 155.A N SER 114.A O no hydrogen 2.939 N/A ALA 156.A N LEU 167.A O no hydrogen 2.798 N/A CYS 158.A N CYS 174.A O no hydrogen 2.804 N/A ALA 159.A N ALA 156.A O no hydrogen 3.107 N/A THR 162.A N ASP 160.A OD1 no hydrogen 3.261 N/A THR 162.A OG1 ASP 160.A OD1 no hydrogen 3.493 N/A PHE 164.A N ASP 160.A O no hydrogen 2.850 N/A LEU 167.A N PHE 164.A O no hydrogen 2.949 N/A CYS 168.A N PRO 165.A O no hydrogen 3.022 N/A GLN 169.A N GLN 166.A O no hydrogen 3.316 N/A LEU 170.A N SER 154.A O no hydrogen 2.961 N/A CYS 171.A N CYS 168.A O no hydrogen 2.812 N/A CYS 174.A N CYS 171.A O no hydrogen 2.852 N/A CYS 174.A SG ALA 156.A O no hydrogen 3.174 N/A CYS 174.A SG LEU 167.A O no hydrogen 3.335 N/A SER 177.A OG SER 9.A OG no hydrogen 2.813 N/A LEU 179.A N SER 177.A OG no hydrogen 3.221 N/A ASN 180.A N SER 177.A O no hydrogen 3.028 N/A ASN 180.A ND2 GLY 175.A O no hydrogen 3.069 N/A TYR 182.A N ASN 180.A OD1 no hydrogen 2.999 N/A TYR 182.A OH ASP 194.A OD2 no hydrogen 2.588 N/A PHE 183.A N ASN 180.A O no hydrogen 2.936 N/A GLY 184.A N THR 117.A O no hydrogen 2.934 N/A TYR 185.A OH HIS 246.A NE2 no hydrogen 3.128 N/A ALA 188.A N GLY 184.A O no hydrogen 2.838 N/A PHE 189.A N TYR 185.A O no hydrogen 2.966 N/A LYS 190.A N SER 186.A O no hydrogen 3.017 N/A CYS 191.A N GLY 187.A O no hydrogen 2.908 N/A LEU 192.A N ALA 188.A O no hydrogen 3.205 N/A LYS 193.A N PHE 189.A O no hydrogen 2.853 N/A ASP 194.A N LYS 190.A O no hydrogen 2.824 N/A GLY 195.A N LEU 192.A O no hydrogen 3.031 N/A GLY 197.A N CYS 191.A O no hydrogen 2.997 N/A ASP 198.A N LYS 113.A O no hydrogen 2.683 N/A VAL 199.A N LYS 113.A O no hydrogen 3.254 N/A ALA 200.A N VAL 97.A O no hydrogen 2.903 N/A PHE 201.A N CYS 115.A O no hydrogen 2.981 N/A VAL 202.A N VAL 95.A O no hydrogen 3.136 N/A LYS 203.A N THR 206.A OG1 no hydrogen 3.135 N/A LYS 203.A NZ SER 295.A OG no hydrogen 2.959 N/A HIS 204.A N TYR 93.A O no hydrogen 3.036 N/A SER 205.A OG GLU 209.A OE2 no hydrogen 2.789 N/A THR 206.A N LYS 203.A O no hydrogen 3.129 N/A THR 206.A OG1 LYS 203.A O no hydrogen 3.098 N/A GLU 209.A N SER 205.A O no hydrogen 3.014 N/A ASN 210.A N THR 206.A O no hydrogen 3.195 N/A ASN 210.A N ILE 207.A O no hydrogen 3.093 N/A ASN 210.A ND2 SER 186.A OG no hydrogen 2.719 N/A ASN 210.A ND2 THR 206.A O no hydrogen 2.927 N/A LEU 211.A N ILE 207.A O no hydrogen 2.847 N/A ASP 216.A N ASN 213.A O no hydrogen 2.949 N/A ARG 217.A N ASN 213.A O no hydrogen 3.030 N/A ARG 217.A NH2 LEU 211.A O no hydrogen 2.906 N/A ARG 217.A NH2 ALA 212.A O no hydrogen 3.094 N/A ASP 218.A N LYS 214.A O no hydrogen 2.845 N/A GLN 219.A N ASP 216.A O no hydrogen 3.242 N/A TYR 220.A N ARG 217.A O no hydrogen 3.093 N/A GLU 221.A N VAL 98.A O no hydrogen 2.988 N/A LEU 222.A N LYS 230.A O no hydrogen 2.782 N/A LEU 223.A N ALA 96.A O no hydrogen 2.941 N/A CYS 224.A N THR 228.A O no hydrogen 2.919 N/A CYS 224.A SG THR 228.A O no hydrogen 3.378 N/A CYS 224.A SG THR 228.A OG1 no hydrogen 3.762 N/A ASN 227.A N CYS 224.A O no hydrogen 2.949 N/A THR 228.A N ASP 226.A OD1 no hydrogen 3.310 N/A THR 228.A OG1 ASP 226.A OD1 no hydrogen 2.700 N/A THR 228.A OG1 ASP 226.A OD2 no hydrogen 3.454 N/A ARG 229.A NE PHE 104.A O no hydrogen 3.022 N/A ARG 229.A NH1 LYS 99.A O no hydrogen 3.056 N/A ARG 229.A NH1 GLU 221.A OE2 no hydrogen 2.725 N/A ARG 229.A NH2 SER 102.A OG no hydrogen 2.400 N/A ARG 229.A NH2 PHE 104.A O no hydrogen 2.940 N/A LYS 230.A N LEU 222.A O no hydrogen 3.138 N/A GLU 234.A N PRO 231.A O no hydrogen 2.914 N/A ASP 237.A N GLU 234.A O no hydrogen 3.099 N/A CYS 238.A N TYR 235.A O no hydrogen 3.013 N/A CYS 238.A SG LEU 222.A O no hydrogen 3.740 N/A HIS 239.A ND1 TYR 235.A O no hydrogen 2.790 N/A LEU 240.A N ALA 94.A O no hydrogen 2.699 N/A VAL 243.A N TYR 92.A O no hydrogen 2.977 N/A SER 245.A N THR 90.A O no hydrogen 2.949 N/A SER 245.A OG GLU 80.A O no hydrogen 2.775 N/A SER 245.A OG THR 90.A O no hydrogen 3.333 N/A SER 245.A OG TYR 311.A OH no hydrogen 3.115 N/A HIS 246.A N TYR 82.A OH no hydrogen 3.171 N/A THR 247.A N LEU 59.A O no hydrogen 3.055 N/A THR 247.A OG1 VAL 78.A O no hydrogen 3.127 N/A THR 247.A OG1 VAL 248.A O no hydrogen 3.206 N/A VAL 248.A N VAL 78.A O no hydrogen 2.708 N/A VAL 249.A N VAL 57.A O no hydrogen 2.801 N/A ALA 250.A N LYS 75.A O no hydrogen 2.947 N/A ARG 251.A NE GLY 254.A O no hydrogen 2.923 N/A ARG 251.A NH1 ASP 55.A OD2 no hydrogen 2.956 N/A ARG 251.A NH2 ILE 49.A O no hydrogen 3.035 N/A ARG 251.A NH2 ALA 54.A O no hydrogen 2.939 N/A ARG 251.A NH2 ASP 55.A OD2 no hydrogen 3.321 N/A SER 252.A N ASN 73.A O no hydrogen 3.041 N/A SER 252.A OG ASN 73.A O no hydrogen 3.481 N/A LYS 256.A NZ THR 2.A O no hydrogen 3.445 N/A LYS 256.A NZ ASP 55.A OD1 no hydrogen 2.989 N/A LYS 256.A NZ ASP 55.A OD2 no hydrogen 3.551 N/A ILE 260.A N LYS 256.A O no hydrogen 2.958 N/A TRP 261.A N GLU 257.A O no hydrogen 3.091 N/A GLU 262.A N ASP 258.A O no hydrogen 2.842 N/A LEU 263.A N LEU 259.A O no hydrogen 2.888 N/A LEU 264.A N ILE 260.A O no hydrogen 2.933 N/A ASN 265.A N TRP 261.A O no hydrogen 2.684 N/A GLN 266.A N GLU 262.A O no hydrogen 3.062 N/A ALA 267.A N LEU 263.A O no hydrogen 2.817 N/A GLN 268.A N LEU 264.A O no hydrogen 2.855 N/A GLN 268.A NE2 ASN 265.A OD1 no hydrogen 2.738 N/A GLN 268.A NE2 PHE 299.A O no hydrogen 3.276 N/A GLU 269.A N ASN 265.A O no hydrogen 3.208 N/A HIS 270.A N GLN 266.A O no hydrogen 3.279 N/A HIS 270.A N ALA 267.A O no hydrogen 3.171 N/A HIS 270.A ND1 GLN 266.A O no hydrogen 3.076 N/A PHE 271.A N ALA 267.A O no hydrogen 2.767 N/A LYS 273.A NZ ASP 294.A O no hydrogen 2.749 N/A LYS 273.A NZ ALA 296.A O no hydrogen 2.642 N/A LYS 275.A N GLY 272.A O no hydrogen 3.049 N/A LYS 277.A N LYS 275.A O no hydrogen 2.513 N/A GLN 280.A NE2 GLY 272.A O no hydrogen 3.301 N/A LEU 281.A N PHE 271.A O no hydrogen 3.004 N/A HIS 286.A N SER 284.A OG no hydrogen 3.013 N/A GLY 287.A N SER 284.A O no hydrogen 3.513 N/A ASP 289.A N ASP 294.A OD1 no hydrogen 2.770 N/A LEU 291.A N GLU 12.A OE2 no hydrogen 3.025 N/A LYS 293.A N GLU 80.A OE1 no hydrogen 2.989 N/A LYS 293.A NZ TYR 82.A OH no hydrogen 3.065 N/A LYS 293.A NZ TYR 185.A OH no hydrogen 2.980 N/A ASP 294.A N ASP 289.A OD1 no hydrogen 2.841 N/A ALA 296.A N LYS 293.A O no hydrogen 3.219 N/A HIS 297.A N PHE 81.A O no hydrogen 2.652 N/A PHE 299.A N GLN 268.A OE1 no hydrogen 2.711 N/A LEU 300.A N ALA 79.A O no hydrogen 2.787 N/A LYS 301.A NZ ASP 258.A OD1 no hydrogen 3.204 N/A VAL 302.A N VAL 77.A O no hydrogen 2.986 N/A ARG 305.A NH1 ASP 373.A OD1 no hydrogen 3.306 N/A ARG 305.A NH2 ARG 305.A O no hydrogen 3.265 N/A MET 306.A N PRO 303.A O no hydrogen 2.784 N/A LYS 309.A NZ GLU 382.A OE1 no hydrogen 3.184 N/A MET 310.A N ASP 307.A OD1 no hydrogen 2.923 N/A TYR 311.A N ASP 307.A O no hydrogen 2.856 N/A TYR 311.A OH SER 245.A O no hydrogen 2.661 N/A LEU 312.A N ALA 308.A O no hydrogen 3.049 N/A GLY 313.A N LYS 309.A O no hydrogen 2.986 N/A GLU 315.A N GLU 315.A OE1 no hydrogen 2.666 N/A TYR 316.A OH SER 122.A OG no hydrogen 2.579 N/A VAL 317.A N GLY 313.A O no hydrogen 2.998 N/A THR 318.A N TYR 314.A O no hydrogen 3.047 N/A THR 318.A OG1 TYR 314.A O no hydrogen 2.649 N/A ALA 319.A N GLU 315.A O no hydrogen 2.967 N/A ILE 320.A N TYR 316.A O no hydrogen 2.856 N/A ARG 321.A N VAL 317.A O no hydrogen 2.977 N/A ASN 322.A N THR 318.A O no hydrogen 3.100 N/A LEU 323.A N ALA 319.A O no hydrogen 2.955 N/A ARG 324.A N ILE 320.A O no hydrogen 2.856 N/A ARG 324.A NH1 ASP 66.A OD2 no hydrogen 3.063 N/A GLU 325.A N ARG 321.A O no hydrogen 3.033 N/A GLY 326.A N LEU 323.A O no hydrogen 3.155 N/A THR 327.A N ASN 322.A O no hydrogen 2.788 N/A THR 327.A OG1 ASN 322.A OD1 no hydrogen 2.997 N/A THR 333.A OG1 ASP 334.A OD1 no hydrogen 3.463 N/A ASP 334.A N ALA 331.A O no hydrogen 3.250 N/A CYS 336.A N PRO 332.A O no hydrogen 3.100 N/A VAL 339.A N LYS 362.A O no hydrogen 2.892 N/A LYS 340.A N ASP 384.A OD2 no hydrogen 2.911 N/A TRP 341.A N GLU 364.A O no hydrogen 2.603 N/A CYS 342.A N ALA 385.A O no hydrogen 3.013 N/A ALA 343.A N VAL 366.A O no hydrogen 2.748 N/A LEU 344.A N GLU 348.A OE1 no hydrogen 2.731 N/A SER 345.A N ALA 368.A O no hydrogen 2.717 N/A SER 345.A OG GLU 369.A OE2 no hydrogen 2.986 N/A HIS 346.A N SER 345.A OG no hydrogen 2.572 N/A ARG 349.A N SER 345.A O no hydrogen 2.916 N/A ARG 349.A NE SER 367.A OG no hydrogen 3.244 N/A ARG 349.A NH1 ASP 353.A OD1 no hydrogen 2.919 N/A LEU 350.A N HIS 346.A O no hydrogen 3.093 N/A LYS 351.A NZ LEU 618.A O no hydrogen 2.748 N/A LYS 351.A NZ ARG 620.A O no hydrogen 2.706 N/A LYS 351.A NZ LEU 626.A O no hydrogen 3.183 N/A CYS 352.A N GLU 348.A O no hydrogen 2.841 N/A ASP 353.A N ARG 349.A O no hydrogen 2.960 N/A GLU 354.A N LEU 350.A O no hydrogen 3.187 N/A TRP 355.A N LYS 351.A O no hydrogen 2.960 N/A TRP 355.A NE1 GLN 601.A OE1 no hydrogen 2.879 N/A SER 356.A N CYS 352.A O no hydrogen 2.698 N/A SER 356.A OG ILE 363.A O no hydrogen 2.655 N/A VAL 357.A N ASP 353.A O no hydrogen 2.888 N/A ASN 358.A N GLU 354.A O no hydrogen 3.017 N/A ASN 358.A ND2 GLU 354.A O no hydrogen 2.855 N/A SER 359.A N TRP 355.A O no hydrogen 2.853 N/A SER 359.A N SER 356.A O no hydrogen 3.207 N/A SER 359.A OG TRP 355.A O no hydrogen 3.453 N/A SER 359.A OG SER 356.A O no hydrogen 2.808 N/A VAL 360.A N VAL 357.A O no hydrogen 3.287 N/A LYS 362.A N SER 359.A O no hydrogen 3.290 N/A ILE 363.A N SER 359.A OG no hydrogen 2.985 N/A GLU 364.A N VAL 339.A O no hydrogen 2.686 N/A CYS 365.A SG ASP 353.A OD1 no hydrogen 3.812 N/A VAL 366.A N TRP 341.A O no hydrogen 2.783 N/A ALA 368.A N ALA 343.A O no hydrogen 3.138 N/A ASP 373.A N THR 370.A OG1 no hydrogen 3.027 N/A CYS 374.A N THR 370.A O no hydrogen 3.071 N/A CYS 374.A SG ALA 343.A O no hydrogen 3.750 N/A ILE 375.A N THR 371.A O no hydrogen 2.848 N/A ALA 376.A N GLU 372.A O no hydrogen 2.898 N/A LYS 377.A N ASP 373.A O no hydrogen 3.175 N/A LYS 377.A NZ SER 367.A O no hydrogen 3.086 N/A ILE 378.A N CYS 374.A O no hydrogen 3.023 N/A MET 379.A N ILE 375.A O no hydrogen 2.897 N/A ASN 380.A N ALA 376.A O no hydrogen 3.059 N/A ASN 380.A ND2 GLU 382.A OE1 no hydrogen 3.472 N/A GLY 381.A N LYS 377.A O no hydrogen 2.978 N/A GLU 382.A N ASN 380.A OD1 no hydrogen 2.956 N/A ALA 383.A N LYS 377.A O no hydrogen 3.046 N/A ASP 384.A N LYS 340.A O no hydrogen 2.694 N/A ALA 385.A N LYS 340.A O no hydrogen 3.295 N/A MET 386.A N VAL 585.A O no hydrogen 3.436 N/A SER 387.A OG GLU 407.A OE2 no hydrogen 2.719 N/A LEU 388.A N ALA 583.A O no hydrogen 2.699 N/A GLY 391.A N ASP 389.A OD2 no hydrogen 2.863 N/A PHE 392.A N ASP 389.A O no hydrogen 2.766 N/A VAL 393.A N ASP 389.A O no hydrogen 2.824 N/A TYR 394.A N GLY 390.A O no hydrogen 2.964 N/A ILE 395.A N GLY 391.A O no hydrogen 3.374 N/A ALA 396.A N PHE 392.A O no hydrogen 2.726 N/A GLY 397.A N VAL 393.A O no hydrogen 2.842 N/A LYS 398.A N TYR 394.A O no hydrogen 3.015 N/A CYS 399.A N ILE 395.A O no hydrogen 2.916 N/A CYS 399.A SG ILE 395.A O no hydrogen 3.218 N/A GLY 400.A N GLY 397.A O no hydrogen 2.737 N/A LEU 401.A N ALA 396.A O no hydrogen 2.926 N/A VAL 402.A N THR 586.A O no hydrogen 2.950 N/A VAL 404.A N VAL 584.A O no hydrogen 2.806 N/A ALA 406.A N ALA 636.A O no hydrogen 2.958 N/A GLU 407.A N HIS 582.A O no hydrogen 2.908 N/A ASN 408.A N CYS 634.A O no hydrogen 2.859 N/A ASN 408.A ND2 THR 418.A O no hydrogen 2.772 N/A TYR 409.A N GLU 420.A OE1 no hydrogen 3.216 N/A TYR 409.A N GLU 420.A OE2 no hydrogen 2.937 N/A TYR 409.A OH GLU 407.A OE1 no hydrogen 2.758 N/A ASN 410.A N GLU 420.A OE1 no hydrogen 2.844 N/A ASN 410.A ND2 LYS 411.A O no hydrogen 2.812 N/A ASP 417.A N ASN 414.A O no hydrogen 2.988 N/A THR 418.A N CYS 415.A O no hydrogen 3.080 N/A THR 418.A OG1 ASN 414.A O no hydrogen 2.897 N/A PHE 424.A N HIS 532.A ND1 no hydrogen 3.114 N/A ALA 425.A N ALA 577.A O no hydrogen 2.980 N/A VAL 426.A N VAL 530.A O no hydrogen 2.886 N/A VAL 428.A N ALA 528.A O no hydrogen 2.877 N/A VAL 429.A N GLU 557.A O no hydrogen 2.895 N/A LYS 430.A NZ GLY 525.A O no hydrogen 2.426 N/A LYS 431.A N ASP 555.A O no hydrogen 2.626 N/A GLY 443.A N PHE 476.A O no hydrogen 2.862 N/A LYS 444.A N LEU 441.A O no hydrogen 3.026 N/A LYS 444.A NZ ASN 440.A O no hydrogen 3.098 N/A LYS 445.A N ASP 526.A OD2 no hydrogen 2.759 N/A SER 446.A N GLU 479.A O no hydrogen 3.236 N/A SER 446.A OG HIS 448.A NE2 no hydrogen 2.707 N/A CYS 447.A N VAL 527.A O no hydrogen 2.656 N/A HIS 448.A N CYS 481.A O no hydrogen 2.883 N/A HIS 448.A ND1 GLY 456.A O no hydrogen 2.787 N/A HIS 448.A NE2 SER 446.A OG no hydrogen 2.707 N/A VAL 451.A N PRO 483.A O no hydrogen 2.794 N/A ARG 453.A N ALA 450.A O no hydrogen 3.259 N/A THR 454.A N ASP 389.A OD1 no hydrogen 3.373 N/A THR 454.A N ASP 389.A OD2 no hydrogen 2.804 N/A THR 454.A OG1 ASP 389.A OD1 no hydrogen 3.300 N/A THR 454.A OG1 ASP 389.A OD2 no hydrogen 3.239 N/A THR 454.A OG1 TYR 652.A OH no hydrogen 2.735 N/A ASN 458.A N ARG 453.A O no hydrogen 2.859 N/A ASN 458.A ND2 GLY 452.A O no hydrogen 3.251 N/A ASN 458.A ND2 TYR 652.A OH no hydrogen 2.978 N/A ILE 459.A N THR 454.A O no hydrogen 2.902 N/A MET 461.A N TRP 457.A O no hydrogen 2.802 N/A GLY 462.A N ASN 458.A O no hydrogen 2.793 N/A LEU 463.A N ILE 459.A O no hydrogen 3.079 N/A LEU 464.A N PRO 460.A O no hydrogen 2.735 N/A TYR 465.A N MET 461.A O no hydrogen 2.709 N/A ASN 466.A N GLY 462.A O no hydrogen 3.358 N/A LYS 467.A N LEU 464.A O no hydrogen 3.113 N/A ILE 468.A N LEU 464.A O no hydrogen 3.368 N/A ASN 469.A N TYR 465.A O no hydrogen 2.982 N/A ARG 472.A N HIS 470.A ND1 no hydrogen 3.291 N/A GLU 475.A N ARG 472.A O no hydrogen 3.034 N/A PHE 476.A N ARG 472.A O no hydrogen 3.237 N/A PHE 476.A N PHE 473.A O no hydrogen 2.944 N/A PHE 477.A N PHE 473.A O no hydrogen 3.220 N/A SER 478.A N LYS 444.A O no hydrogen 2.884 N/A SER 478.A OG GLY 443.A O no hydrogen 2.926 N/A SER 478.A OG LYS 444.A O no hydrogen 3.186 N/A GLY 480.A N SER 490.A O no hydrogen 2.949 N/A CYS 481.A N SER 446.A O no hydrogen 2.965 N/A ALA 482.A N LEU 491.A O no hydrogen 2.762 N/A GLY 484.A N CYS 503.A O no hydrogen 2.917 N/A SER 485.A N ALA 482.A O no hydrogen 3.084 N/A SER 485.A OG ALA 482.A O no hydrogen 3.189 N/A LYS 487.A NZ GLU 504.A OE1 no hydrogen 2.818 N/A SER 489.A N LYS 486.A O no hydrogen 2.920 N/A SER 490.A OG ASP 474.A O no hydrogen 2.510 N/A LEU 491.A N SER 489.A OG no hydrogen 2.879 N/A CYS 492.A N SER 489.A O no hydrogen 3.021 N/A CYS 492.A SG SER 485.A O no hydrogen 3.878 N/A CYS 492.A SG LYS 486.A O no hydrogen 3.332 N/A LYS 493.A N SER 490.A O no hydrogen 3.084 N/A LEU 494.A N GLY 480.A O no hydrogen 3.053 N/A CYS 495.A N CYS 492.A O no hydrogen 3.127 N/A MET 496.A N GLU 509.A OE2 no hydrogen 2.809 N/A GLY 497.A N GLU 509.A OE1 no hydrogen 2.964 N/A ASN 501.A N SER 498.A O no hydrogen 2.892 N/A LEU 502.A N GLY 499.A O no hydrogen 3.381 N/A CYS 503.A N GLU 509.A OE1 no hydrogen 2.779 N/A CYS 503.A SG ALA 482.A O no hydrogen 3.830 N/A GLU 504.A N ASN 501.A O no hydrogen 2.937 N/A ASN 506.A N GLU 504.A O no hydrogen 2.729 N/A ASN 506.A ND2 GLU 369.A O no hydrogen 2.845 N/A LYS 508.A N ASN 506.A OD1 no hydrogen 2.909 N/A LYS 508.A NZ GLU 369.A OE2 no hydrogen 3.221 N/A GLU 509.A N ASN 506.A O no hydrogen 2.875 N/A TYR 511.A N GLU 509.A OE2 no hydrogen 3.117 N/A TYR 511.A OH GLU 523.A OE1 no hydrogen 2.482 N/A TYR 512.A N GLU 509.A O no hydrogen 3.004 N/A GLY 513.A N THR 449.A O no hydrogen 2.947 N/A TYR 514.A OH TYR 423.A OH no hydrogen 3.377 N/A TYR 514.A OH HIS 582.A NE2 no hydrogen 2.621 N/A THR 515.A OG1 ASN 538.A OD1 no hydrogen 3.499 N/A THR 515.A OG1 THR 623.A O no hydrogen 3.179 N/A ALA 517.A N GLY 513.A O no hydrogen 2.917 N/A PHE 518.A N TYR 514.A O no hydrogen 3.133 N/A ARG 519.A N THR 515.A O no hydrogen 2.916 N/A ARG 519.A NE GLU 523.A OE1 no hydrogen 3.299 N/A ARG 519.A NE GLU 523.A OE2 no hydrogen 2.855 N/A ARG 519.A NH2 GLU 523.A OE2 no hydrogen 3.365 N/A CYS 520.A N GLY 516.A O no hydrogen 2.846 N/A LEU 521.A N ALA 517.A O no hydrogen 3.041 N/A VAL 522.A N PHE 518.A O no hydrogen 3.001 N/A GLU 523.A N ARG 519.A O no hydrogen 2.868 N/A LYS 524.A N CYS 520.A O no hydrogen 2.687 N/A LYS 524.A NZ LEU 494.A O no hydrogen 3.475 N/A GLY 525.A N CYS 520.A O no hydrogen 2.747 N/A ASP 526.A N LYS 445.A O no hydrogen 2.788 N/A VAL 527.A N LYS 445.A O no hydrogen 3.107 N/A ALA 528.A N VAL 428.A O no hydrogen 2.907 N/A PHE 529.A N CYS 447.A O no hydrogen 2.825 N/A VAL 530.A N VAL 426.A O no hydrogen 3.270 N/A LYS 531.A NZ ASP 631.A OD1 no hydrogen 3.361 N/A LYS 531.A NZ ASP 631.A OD2 no hydrogen 2.820 N/A THR 534.A N LYS 531.A O no hydrogen 3.275 N/A THR 534.A OG1 LYS 531.A O no hydrogen 3.195 N/A GLN 537.A N GLN 533.A O no hydrogen 2.951 N/A ASN 538.A N THR 534.A O no hydrogen 2.974 N/A ASN 538.A N VAL 535.A O no hydrogen 3.185 N/A ASN 538.A ND2 THR 534.A O no hydrogen 3.085 N/A THR 539.A OG1 VAL 535.A O no hydrogen 2.838 N/A GLY 540.A N LEU 551.A O no hydrogen 3.085 N/A LYS 542.A N THR 539.A O no hydrogen 3.122 N/A ASN 543.A ND2 ASN 538.A OD1 no hydrogen 2.733 N/A ASP 545.A N ASN 543.A OD1 no hydrogen 3.098 N/A ALA 548.A N ASP 545.A O no hydrogen 2.836 N/A LYS 549.A N ASP 545.A O no hydrogen 2.804 N/A LEU 551.A N ALA 548.A O no hydrogen 2.908 N/A ASP 555.A N ASN 552.A O no hydrogen 3.128 N/A TYR 556.A N GLU 553.A O no hydrogen 3.230 N/A GLU 557.A N VAL 429.A O no hydrogen 2.804 N/A LEU 558.A N LYS 566.A O no hydrogen 3.021 N/A LEU 559.A N ALA 427.A O no hydrogen 2.719 N/A CYS 560.A N THR 564.A O no hydrogen 2.926 N/A GLY 563.A N CYS 560.A O no hydrogen 3.289 N/A THR 564.A N ASP 562.A OD1 no hydrogen 3.034 N/A THR 564.A OG1 ASP 562.A OD1 no hydrogen 2.361 N/A ARG 565.A NH1 LEU 436.A O no hydrogen 2.228 N/A ARG 565.A NH2 LYS 430.A O no hydrogen 3.377 N/A ARG 565.A NH2 GLU 557.A OE2 no hydrogen 2.694 N/A GLU 570.A N PRO 567.A O no hydrogen 3.110 N/A ASN 573.A N GLU 570.A O no hydrogen 3.014 N/A CYS 574.A N TYR 571.A O no hydrogen 3.030 N/A CYS 574.A SG LEU 558.A O no hydrogen 3.693 N/A HIS 575.A ND1 TYR 571.A O no hydrogen 2.745 N/A LEU 576.A N ALA 425.A O no hydrogen 2.708 N/A ARG 578.A NE GLY 422.A O no hydrogen 3.043 N/A ARG 578.A NH1 GLY 422.A O no hydrogen 3.325 N/A ALA 579.A N TYR 423.A O no hydrogen 2.788 N/A ASN 581.A ND2 GLU 407.A O no hydrogen 2.846 N/A ASN 581.A ND2 ASN 408.A OD1 no hydrogen 3.403 N/A ASN 581.A ND2 GLU 420.A OE2 no hydrogen 3.031 N/A HIS 582.A N TYR 409.A OH no hydrogen 3.277 N/A ALA 583.A N LEU 388.A O no hydrogen 2.952 N/A VAL 584.A N LEU 405.A O no hydrogen 2.848 N/A VAL 585.A N MET 386.A O no hydrogen 2.948 N/A THR 586.A N VAL 402.A O no hydrogen 3.040 N/A THR 586.A OG1 ASP 384.A O no hydrogen 2.605 N/A ARG 587.A NE ASP 589.A OD2 no hydrogen 3.060 N/A ARG 587.A NH1 ILE 378.A O no hydrogen 2.775 N/A ARG 587.A NH1 ALA 383.A O no hydrogen 2.847 N/A ARG 587.A NH1 ASP 384.A OD1 no hydrogen 3.484 N/A ARG 587.A NH2 ASP 384.A OD1 no hydrogen 2.837 N/A LYS 590.A N ARG 587.A O no hydrogen 3.154 N/A LYS 590.A NZ ASP 384.A OD2 no hydrogen 2.813 N/A GLU 591.A N LYS 588.A O no hydrogen 3.271 N/A CYS 593.A SG LYS 337.A O no hydrogen 3.573 N/A VAL 594.A N LYS 590.A O no hydrogen 2.882 N/A HIS 595.A N GLU 591.A O no hydrogen 2.932 N/A LYS 596.A N ALA 592.A O no hydrogen 3.018 N/A ILE 597.A N CYS 593.A O no hydrogen 2.873 N/A LEU 598.A N VAL 594.A O no hydrogen 2.837 N/A ARG 599.A N HIS 595.A O no hydrogen 3.241 N/A GLN 600.A N LYS 596.A O no hydrogen 3.320 N/A GLN 601.A N ILE 597.A O no hydrogen 3.022 N/A GLN 601.A NE2 GLN 600.A OE1 no hydrogen 3.050 N/A GLN 602.A N LEU 598.A O no hydrogen 3.100 N/A GLN 602.A NE2 LEU 635.A O no hydrogen 3.134 N/A HIS 603.A N ARG 599.A O no hydrogen 3.261 N/A LEU 604.A N GLN 600.A O no hydrogen 3.127 N/A PHE 605.A N GLN 601.A O no hydrogen 2.781 N/A SER 607.A OG VAL 633.A O no hydrogen 2.674 N/A VAL 609.A N GLY 606.A O no hydrogen 3.194 N/A CYS 612.A SG THR 610.A O no hydrogen 3.615 N/A SER 613.A N ASP 611.A OD1 no hydrogen 3.359 N/A LEU 618.A N PHE 605.A O no hydrogen 2.761 N/A SER 621.A OG ASP 630.A OD1 no hydrogen 2.974 N/A SER 621.A OG ASP 630.A OD2 no hydrogen 3.463 N/A ASP 625.A N ASP 630.A OD2 no hydrogen 3.048 N/A LEU 626.A N SER 621.A OG no hydrogen 3.049 N/A LEU 627.A N GLU 348.A OE2 no hydrogen 2.827 N/A PHE 628.A N LEU 626.A O no hydrogen 2.711 N/A ARG 629.A N GLU 407.A OE2 no hydrogen 3.341 N/A ARG 629.A NE ASP 631.A OD1 no hydrogen 3.070 N/A ARG 629.A NH2 ASP 631.A OD1 no hydrogen 3.341 N/A ARG 629.A NH2 ASP 631.A OD2 no hydrogen 3.099 N/A ASP 630.A N ASP 625.A OD1 no hydrogen 2.686 N/A THR 632.A N ARG 629.A O no hydrogen 3.056 N/A THR 632.A OG1 ARG 629.A O no hydrogen 2.717 N/A VAL 633.A N ASN 408.A O no hydrogen 2.706 N/A LEU 635.A N GLN 602.A OE1 no hydrogen 2.709 N/A ALA 636.A N ALA 406.A O no hydrogen 2.723 N/A LYS 637.A N GLU 416.A O no hydrogen 3.111 N/A LYS 637.A NZ ASP 417.A OD1 no hydrogen 2.449 N/A LYS 637.A NZ HIS 639.A NE2 no hydrogen 3.170 N/A ARG 641.A N LEU 638.A O no hydrogen 2.944 N/A GLU 645.A N GLU 645.A OE1 no hydrogen 3.257 N/A LYS 646.A NZ ASP 640.A O no hydrogen 3.556 N/A TYR 647.A N THR 643.A O no hydrogen 2.681 N/A TYR 647.A OH ASN 581.A O no hydrogen 2.620 N/A LEU 648.A N TYR 644.A O no hydrogen 2.906 N/A GLY 649.A N GLU 645.A O no hydrogen 2.920 N/A VAL 653.A N GLY 649.A O no hydrogen 3.084 N/A LYS 654.A N GLU 650.A O no hydrogen 3.175 N/A ALA 655.A N GLU 651.A O no hydrogen 3.056 N/A VAL 656.A N TYR 652.A O no hydrogen 2.874 N/A GLY 657.A N VAL 653.A O no hydrogen 2.847 N/A ASN 658.A N LYS 654.A O no hydrogen 2.703 N/A LEU 659.A N VAL 656.A O no hydrogen 2.839 N/A ARG 660.A N GLY 657.A O no hydrogen 2.850 N/A SER 663.A N ARG 660.A O no hydrogen 3.269 N/A SER 665.A N SER 663.A OG no hydrogen 3.323 N/A SER 665.A OG GLU 372.A OE2 no hydrogen 2.325 N/A LEU 668.A N SER 665.A OG no hydrogen 3.080 N/A GLU 669.A N SER 665.A O no hydrogen 3.268 N/A ALA 670.A N SER 666.A O no hydrogen 3.127 N/A CYS 671.A N LEU 667.A O no hydrogen 2.860 N/A CYS 671.A SG LEU 667.A O no hydrogen 3.481 N/A THR 672.A N GLU 669.A O no hydrogen 3.133 N/A PHE 673.A N ALA 670.A O no hydrogen 3.244 N/A