Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1iwb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N SER 3.A OG no hydrogen 3.224 N/A PHE 6.A N SER 3.A OG no hydrogen 3.310 N/A GLU 7.A N SER 3.A O no hydrogen 2.914 N/A ALA 8.A N LYS 4.A O no hydrogen 2.902 N/A LEU 9.A N ARG 5.A O no hydrogen 2.915 N/A ALA 10.A N PHE 6.A O no hydrogen 2.699 N/A LYS 11.A N ALA 8.A O no hydrogen 3.358 N/A ARG 12.A N LEU 9.A O no hydrogen 3.067 N/A ASN 15.A N ARG 12.A O no hydrogen 3.004 N/A ASN 15.A ND2 LEU 9.A O no hydrogen 2.925 N/A GLN 16.A N PRO 13.A O no hydrogen 2.748 N/A ASP 17.A N VAL 14.A O no hydrogen 2.806 N/A VAL 20.A N ALA 308.A O no hydrogen 3.143 N/A TRP 23.A N PHE 28.A O no hydrogen 2.978 N/A GLU 25.A N GLU 25.A OE2 no hydrogen 2.493 N/A GLU 26.A N TRP 23.A O no hydrogen 2.978 N/A GLY 27.A N ILE 24.A O no hydrogen 3.137 N/A PHE 28.A N TRP 23.A O no hydrogen 3.149 N/A ILE 29.A N GLY 27.A O no hydrogen 2.703 N/A ASN 35.A N SER 33.A OG no hydrogen 3.114 N/A ASN 35.A ND2 GLY 273.A O no hydrogen 2.864 N/A ASP 36.A N SER 33.A O no hydrogen 3.260 N/A SER 40.A N ASP 52.A OD1 no hydrogen 3.221 N/A SER 40.A OG GLU 50.A OE1 no hydrogen 2.418 N/A LYS 42.A N GLU 50.A O no hydrogen 2.900 N/A VAL 44.A N ALA 47.A O no hydrogen 2.883 N/A ALA 47.A N VAL 44.A O no hydrogen 3.123 N/A THR 49.A N LYS 42.A O no hydrogen 2.578 N/A THR 49.A OG1 LYS 42.A O no hydrogen 3.479 N/A GLU 50.A N LYS 42.A O no hydrogen 3.297 N/A LEU 51.A N LYS 54.A O no hydrogen 3.050 N/A ASP 52.A N SER 40.A O no hydrogen 2.689 N/A GLY 53.A N SER 40.A OG no hydrogen 2.996 N/A LYS 54.A N LEU 51.A O no hydrogen 3.048 N/A LYS 54.A NZ ASP 63.A OD2 no hydrogen 3.084 N/A VAL 56.A N THR 49.A O no hydrogen 3.082 N/A SER 57.A OG ASP 58.A OD1 no hydrogen 2.732 N/A ASP 58.A N PRO 55.A O no hydrogen 2.544 N/A PHE 59.A N VAL 56.A O no hydrogen 3.050 N/A ASP 60.A N ASP 63.A OD2 no hydrogen 2.920 N/A LEU 61.A N GLU 229.A OE2 no hydrogen 2.815 N/A ASP 63.A N ASP 60.A OD1 no hydrogen 2.975 N/A HIS 64.A N ASP 60.A O no hydrogen 2.996 N/A PHE 65.A N LEU 61.A O no hydrogen 3.029 N/A ILE 66.A N ILE 62.A O no hydrogen 2.947 N/A ALA 67.A N ASP 63.A O no hydrogen 2.751 N/A ARG 68.A N HIS 64.A O no hydrogen 2.767 N/A TYR 69.A N PHE 65.A O no hydrogen 2.855 N/A TYR 69.A N ILE 66.A O no hydrogen 3.266 N/A GLY 70.A N ILE 66.A O no hydrogen 2.625 N/A ASN 72.A N THR 106.A O no hydrogen 2.858 N/A ASN 74.A N ASN 72.A OD1 no hydrogen 3.331 N/A ARG 75.A NE GLU 78.A OE1 no hydrogen 2.604 N/A ARG 75.A NH2 GLU 78.A OE1 no hydrogen 3.241 N/A ARG 75.A NH2 GLU 78.A OE2 no hydrogen 2.498 N/A VAL 79.A N ARG 75.A O no hydrogen 2.869 N/A MET 80.A N ALA 76.A O no hydrogen 2.909 N/A ALA 81.A N GLU 77.A O no hydrogen 3.196 N/A ALA 81.A N GLU 78.A O no hydrogen 3.282 N/A MET 82.A N VAL 79.A O no hydrogen 3.070 N/A SER 84.A OG GLU 115.A OE1 no hydrogen 2.505 N/A VAL 85.A N ASP 83.A OD1 no hydrogen 3.191 N/A LEU 87.A N ASP 83.A O no hydrogen 3.028 N/A ALA 88.A N SER 84.A O no hydrogen 2.898 N/A ASN 89.A N VAL 85.A O no hydrogen 2.807 N/A MET 90.A N LYS 86.A O no hydrogen 2.783 N/A LEU 91.A N LEU 87.A O no hydrogen 2.927 N/A CYS 92.A N ALA 88.A O no hydrogen 3.319 N/A CYS 92.A N ASN 89.A O no hydrogen 3.062 N/A CYS 92.A SG ALA 88.A O no hydrogen 3.778 N/A CYS 92.A SG ASN 89.A O no hydrogen 3.672 N/A ASP 93.A N ASN 89.A O no hydrogen 2.803 N/A ASP 93.A N MET 90.A O no hydrogen 3.310 N/A ASN 95.A N ASP 93.A OD1 no hydrogen 2.853 N/A VAL 96.A N ASP 93.A O no hydrogen 3.090 N/A ARG 98.A NE MET 132.A O no hydrogen 2.937 N/A ARG 98.A NH1 ASP 327.A OD1 no hydrogen 2.994 N/A ARG 98.A NH2 MET 132.A O no hydrogen 3.390 N/A ARG 98.A NH2 ASP 327.A OD1 no hydrogen 2.769 N/A GLU 100.A N LYS 97.A O no hydrogen 2.808 N/A ILE 101.A N LYS 97.A O no hydrogen 3.133 N/A ILE 101.A N ARG 98.A O no hydrogen 2.941 N/A VAL 102.A N ARG 98.A O no hydrogen 2.988 N/A LEU 104.A N ILE 101.A O no hydrogen 2.623 N/A THR 105.A N ILE 101.A O no hydrogen 2.876 N/A THR 105.A OG1 ILE 101.A O no hydrogen 3.416 N/A THR 105.A OG1 VAL 102.A O no hydrogen 3.232 N/A THR 105.A OG1 SER 325.A O no hydrogen 2.593 N/A THR 106.A N VAL 102.A O no hydrogen 2.914 N/A THR 106.A OG1 VAL 102.A O no hydrogen 2.690 N/A ALA 107.A N LEU 104.A O no hydrogen 3.022 N/A MET 108.A N THR 105.A O no hydrogen 2.909 N/A THR 109.A OG1 ASP 52.A OD1 no hydrogen 2.607 N/A ALA 111.A N ASP 52.A OD2 no hydrogen 3.008 N/A LYS 112.A N THR 109.A OG1 no hydrogen 3.176 N/A LYS 112.A NZ MET 80.A O no hydrogen 3.420 N/A LYS 112.A NZ MET 82.A O no hydrogen 2.807 N/A LYS 112.A NZ SER 84.A OG no hydrogen 3.031 N/A ILE 113.A N THR 109.A O no hydrogen 3.015 N/A VAL 114.A N PRO 110.A O no hydrogen 3.041 N/A GLU 115.A N ALA 111.A O no hydrogen 2.943 N/A VAL 116.A N LYS 112.A O no hydrogen 2.972 N/A VAL 117.A N ILE 113.A O no hydrogen 3.108 N/A SER 118.A N VAL 114.A O no hydrogen 2.956 N/A SER 118.A OG VAL 114.A O no hydrogen 2.527 N/A HIS 119.A N VAL 116.A O no hydrogen 3.343 N/A MET 120.A N VAL 117.A O no hydrogen 3.026 N/A ASN 121.A N GLU 124.A OE1 no hydrogen 3.055 N/A GLU 124.A N ASN 121.A OD1 no hydrogen 2.852 N/A MET 125.A N ASN 121.A O no hydrogen 3.133 N/A MET 126.A N VAL 122.A O no hydrogen 2.944 N/A MET 127.A N VAL 123.A O no hydrogen 2.937 N/A ALA 128.A N GLU 124.A O no hydrogen 2.928 N/A MET 129.A N MET 125.A O no hydrogen 2.747 N/A GLN 130.A N MET 126.A O no hydrogen 3.198 N/A GLN 130.A NE2 MET 127.A O no hydrogen 3.213 N/A LYS 131.A N ALA 128.A O no hydrogen 2.994 N/A LYS 131.A NZ MET 90.A O no hydrogen 2.783 N/A LYS 131.A NZ LEU 91.A O no hydrogen 3.201 N/A LYS 131.A NZ ASP 93.A O no hydrogen 2.679 N/A LYS 131.A NZ VAL 96.A O no hydrogen 2.760 N/A MET 132.A N ALA 128.A O no hydrogen 2.713 N/A ARG 133.A N MET 129.A O no hydrogen 2.966 N/A ARG 133.A NE ARG 135.A O no hydrogen 2.768 N/A ARG 133.A NH1 PRO 355.A O no hydrogen 2.820 N/A ARG 133.A NH1 GLY 356.A O no hydrogen 2.946 N/A ARG 133.A NH2 ARG 136.A O no hydrogen 2.802 N/A ARG 135.A N ASP 358.A OD1 no hydrogen 3.019 N/A ARG 135.A NE SER 505.A O no hydrogen 2.756 N/A ARG 135.A NH1 THR 137.A O no hydrogen 2.732 N/A ARG 135.A NH1 ASP 358.A O no hydrogen 2.843 N/A ARG 135.A NH2 ASP 358.A O no hydrogen 3.180 N/A ARG 135.A NH2 SER 505.A O no hydrogen 2.976 N/A ARG 136.A N ASP 520.A O no hydrogen 2.769 N/A ARG 136.A NE ASP 523.A OD1 no hydrogen 2.644 N/A THR 137.A N ASP 520.A OD2 no hydrogen 3.176 N/A THR 137.A OG1 ASP 520.A OD2 no hydrogen 2.899 N/A SER 139.A OG ASP 167.A OD2 no hydrogen 2.545 N/A GLN 140.A N SER 139.A OG no hydrogen 2.637 N/A GLN 140.A NE2 SER 361.A OG no hydrogen 2.666 N/A GLN 140.A NE2 TYR 387.A OH no hydrogen 2.900 N/A GLN 141.A N GLN 140.A OE1 no hydrogen 3.050 N/A GLN 141.A N SER 361.A O no hydrogen 3.001 N/A GLN 141.A NE2 GLU 168.A OE1 no hydrogen 2.728 N/A GLN 141.A NE2 GLU 221.A OE2 no hydrogen 3.070 N/A ALA 142.A N GLU 168.A O no hydrogen 2.880 N/A HIS 143.A N TYR 364.A O no hydrogen 2.736 N/A VAL 144.A N GLU 170.A O no hydrogen 2.816 N/A THR 145.A OG1 ASP 371.A O no hydrogen 2.675 N/A ASN 146.A ND2 ASN 150.A O no hydrogen 3.217 N/A VAL 147.A N ASP 371.A OD1 no hydrogen 2.995 N/A LYS 148.A N ASN 146.A OD1 no hydrogen 2.869 N/A ASP 149.A N ASN 146.A O no hydrogen 2.757 N/A ASN 150.A N ASN 146.A OD1 no hydrogen 2.898 N/A GLN 153.A N ASN 150.A OD1 no hydrogen 3.094 N/A GLN 153.A NE2 ASP 157.A OD2 no hydrogen 3.147 N/A GLN 153.A NE2 ASP 371.A OD2 no hydrogen 2.996 N/A ILE 154.A N ASN 150.A O no hydrogen 2.969 N/A ALA 155.A N PRO 151.A O no hydrogen 2.948 N/A ALA 156.A N VAL 152.A O no hydrogen 3.208 N/A ASP 157.A N GLN 153.A O no hydrogen 2.941 N/A ALA 158.A N ILE 154.A O no hydrogen 2.780 N/A ALA 159.A N ALA 155.A O no hydrogen 3.007 N/A GLU 160.A N ALA 156.A O no hydrogen 3.013 N/A GLY 161.A N ASP 157.A O no hydrogen 3.034 N/A ALA 162.A N ALA 158.A O no hydrogen 3.185 N/A TRP 163.A N ALA 159.A O no hydrogen 2.886 N/A ARG 164.A N GLU 160.A O no hydrogen 2.828 N/A ARG 164.A NE GLU 160.A OE2 no hydrogen 2.785 N/A ARG 164.A NH2 GLU 160.A OE2 no hydrogen 2.941 N/A GLY 165.A N GLY 161.A O no hydrogen 2.938 N/A GLY 165.A N ALA 162.A O no hydrogen 3.222 N/A PHE 166.A N GLY 161.A O no hydrogen 3.200 N/A ASP 167.A N GLN 140.A O no hydrogen 2.968 N/A GLN 169.A N LEU 198.A O no hydrogen 2.880 N/A GLN 169.A NE2 ALA 158.A O no hydrogen 2.776 N/A GLN 169.A NE2 SER 190.A OG no hydrogen 3.078 N/A GLU 170.A N ALA 142.A O no hydrogen 2.763 N/A THR 171.A N GLN 200.A O no hydrogen 2.856 N/A THR 171.A OG1 VAL 144.A O no hydrogen 2.885 N/A THR 171.A OG1 THR 172.A O no hydrogen 3.541 N/A THR 172.A OG1 SER 202.A O no hydrogen 2.750 N/A ALA 174.A N ASP 149.A OD1 no hydrogen 2.759 N/A VAL 175.A N ASP 149.A OD2 no hydrogen 2.779 N/A TYR 178.A N VAL 175.A O no hydrogen 2.838 N/A TYR 178.A OH ASP 456.A OD2 no hydrogen 2.713 N/A ALA 179.A N ALA 176.A O no hydrogen 2.938 N/A PHE 181.A N TYR 178.A O no hydrogen 3.024 N/A ASN 182.A ND2 ASP 149.A OD1 no hydrogen 3.505 N/A ALA 183.A N ALA 179.A O no hydrogen 3.075 N/A ILE 184.A N PRO 180.A O no hydrogen 3.105 N/A ALA 185.A N PHE 181.A O no hydrogen 2.957 N/A LEU 186.A N ASN 182.A O no hydrogen 2.749 N/A LEU 187.A N ALA 183.A O no hydrogen 2.671 N/A VAL 188.A N ILE 184.A O no hydrogen 2.762 N/A GLY 189.A N ALA 185.A O no hydrogen 3.014 N/A SER 190.A N LEU 186.A O no hydrogen 3.081 N/A SER 190.A OG LEU 186.A O no hydrogen 2.754 N/A GLN 191.A N LEU 187.A O no hydrogen 3.244 N/A GLN 191.A NE2 VAL 197.A O no hydrogen 2.895 N/A VAL 192.A N VAL 188.A O no hydrogen 3.031 N/A GLY 193.A N GLY 189.A O no hydrogen 2.804 N/A ARG 194.A N SER 190.A O no hydrogen 2.968 N/A ARG 194.A NH1 ILE 508.A O no hydrogen 2.606 N/A ARG 194.A NH2 ASP 167.A OD1 no hydrogen 2.821 N/A ARG 194.A NH2 ILE 508.A O no hydrogen 2.926 N/A GLY 196.A N GLN 191.A OE1 no hydrogen 2.970 N/A VAL 197.A N ARG 194.A O no hydrogen 3.259 N/A LEU 198.A N ASP 167.A O no hydrogen 2.829 N/A GLN 200.A N GLN 169.A O no hydrogen 3.202 N/A GLN 200.A NE2 GLU 221.A OE1 no hydrogen 3.070 N/A SER 202.A N THR 171.A O no hydrogen 2.927 N/A SER 202.A OG GLU 170.A OE2 no hydrogen 2.508 N/A SER 202.A OG GLN 200.A OE1 no hydrogen 3.264 N/A LEU 203.A N GLU 208.A OE1 no hydrogen 2.927 N/A ALA 206.A N GLU 204.A OE2 no hydrogen 3.255 N/A THR 207.A N GLU 204.A OE1 no hydrogen 2.954 N/A THR 207.A OG1 GLU 204.A OE1 no hydrogen 2.681 N/A GLU 208.A N GLU 204.A O no hydrogen 2.857 N/A LEU 209.A N GLU 205.A O no hydrogen 3.004 N/A LYS 210.A N ALA 206.A O no hydrogen 3.224 N/A LEU 211.A N THR 207.A O no hydrogen 3.278 N/A GLY 212.A N GLU 208.A O no hydrogen 2.974 N/A MET 213.A N LEU 209.A O no hydrogen 2.779 N/A LEU 214.A N LYS 210.A O no hydrogen 2.823 N/A GLY 215.A N GLY 212.A O no hydrogen 2.964 N/A HIS 216.A N LEU 211.A O no hydrogen 3.284 N/A HIS 216.A NE2 ARG 468.A O no hydrogen 2.633 N/A CYS 218.A N THR 199.A O no hydrogen 2.757 N/A CYS 218.A SG THR 199.A OG1 no hydrogen 3.559 N/A TYR 219.A N THR 199.A O no hydrogen 3.044 N/A ALA 220.A N LYS 255.A O no hydrogen 3.252 N/A SER 224.A N GLU 205.A OE2 no hydrogen 3.260 N/A SER 224.A OG GLU 205.A OE2 no hydrogen 3.251 N/A VAL 225.A N THR 259.A O no hydrogen 3.045 N/A GLY 227.A N GLU 265.A OE2 no hydrogen 2.622 N/A THR 228.A OG1 TYR 270.A O no hydrogen 2.803 N/A PHE 232.A N THR 228.A O no hydrogen 2.930 N/A THR 233.A N GLU 229.A O no hydrogen 2.864 N/A THR 233.A OG1 GLU 229.A O no hydrogen 2.792 N/A ASP 234.A N PRO 230.A O no hydrogen 2.878 N/A GLY 235.A N VAL 231.A O no hydrogen 2.908 N/A ASP 236.A N THR 233.A O no hydrogen 2.964 N/A ASP 237.A N PHE 232.A O no hydrogen 3.373 N/A THR 238.A N SER 241.A OG no hydrogen 2.844 N/A SER 241.A N THR 238.A OG1 no hydrogen 2.911 N/A SER 241.A OG ASP 237.A OD1 no hydrogen 2.712 N/A SER 241.A OG THR 238.A O no hydrogen 3.064 N/A LYS 242.A N THR 238.A O no hydrogen 2.908 N/A LYS 242.A NZ GLU 205.A OE2 no hydrogen 2.599 N/A LYS 242.A NZ SER 224.A O no hydrogen 2.769 N/A LYS 242.A NZ ASP 237.A OD2 no hydrogen 2.863 N/A GLY 243.A N PRO 239.A O no hydrogen 2.790 N/A PHE 244.A N TRP 240.A O no hydrogen 2.997 N/A LEU 245.A N SER 241.A O no hydrogen 2.898 N/A ALA 246.A N LYS 242.A O no hydrogen 2.984 N/A SER 247.A N GLY 243.A O no hydrogen 3.317 N/A SER 248.A N PHE 244.A O no hydrogen 2.957 N/A SER 248.A OG PHE 244.A O no hydrogen 2.889 N/A TYR 249.A N LEU 245.A O no hydrogen 2.991 N/A ALA 250.A N ALA 246.A O no hydrogen 3.141 N/A SER 251.A N SER 247.A O no hydrogen 2.649 N/A SER 251.A OG SER 248.A O no hydrogen 2.754 N/A ARG 252.A N SER 248.A O no hydrogen 3.200 N/A ARG 252.A N TYR 249.A O no hydrogen 2.880 N/A ARG 252.A NH1 SER 251.A OG no hydrogen 2.887 N/A GLY 253.A N ALA 250.A O no hydrogen 2.853 N/A LEU 254.A N TYR 249.A O no hydrogen 2.997 N/A LYS 255.A N TYR 501.A OH no hydrogen 3.495 N/A LYS 255.A NZ GLU 329.A OE2 no hydrogen 2.922 N/A LYS 255.A NZ ALA 506.A O no hydrogen 2.894 N/A ARG 257.A N ALA 220.A O no hydrogen 3.054 N/A ARG 257.A NE GLU 329.A OE1 no hydrogen 2.688 N/A ARG 257.A NH1 GLU 168.A OE1 no hydrogen 2.748 N/A ARG 257.A NH1 GLU 221.A OE2 no hydrogen 3.010 N/A ARG 257.A NH2 GLU 168.A OE1 no hydrogen 3.453 N/A ARG 257.A NH2 GLU 168.A OE2 no hydrogen 2.614 N/A ARG 257.A NH2 GLU 329.A OE1 no hydrogen 2.911 N/A ARG 257.A NH2 GLU 329.A OE2 no hydrogen 2.902 N/A PHE 258.A N GLY 294.A O no hydrogen 3.207 N/A THR 259.A N ILE 223.A O no hydrogen 2.928 N/A THR 259.A OG1 GLU 221.A O no hydrogen 2.297 N/A SER 260.A N GLN 296.A O no hydrogen 3.027 N/A SER 260.A OG GLU 280.A OE1 no hydrogen 3.126 N/A SER 260.A OG GLU 280.A OE2 no hydrogen 2.728 N/A GLY 261.A N GLU 280.A OE1 no hydrogen 2.783 N/A SER 262.A N GLU 319.A OE2 no hydrogen 3.018 N/A SER 262.A OG GLU 319.A OE1 no hydrogen 2.631 N/A SER 264.A OG GLY 261.A O no hydrogen 3.480 N/A GLU 265.A N GLU 265.A OE1 no hydrogen 2.922 N/A GLN 267.A N GLY 263.A O no hydrogen 2.845 N/A GLN 267.A NE2 GLN 267.A O no hydrogen 3.188 N/A MET 268.A N SER 264.A O no hydrogen 2.730 N/A GLY 269.A N VAL 266.A O no hydrogen 2.910 N/A TYR 270.A N GLU 265.A O no hydrogen 2.988 N/A LYS 274.A N ALA 271.A O no hydrogen 3.028 N/A LYS 274.A NZ GLU 272.A O no hydrogen 2.903 N/A SER 275.A N ASP 36.A OD1 no hydrogen 2.772 N/A SER 275.A OG ASP 36.A OD1 no hydrogen 3.367 N/A SER 275.A OG ASP 36.A OD2 no hydrogen 2.328 N/A MET 276.A N ILE 29.A O no hydrogen 3.049 N/A LEU 277.A N ALA 30.A O no hydrogen 2.923 N/A TYR 278.A N SER 275.A OG no hydrogen 3.239 N/A LEU 279.A N SER 275.A O no hydrogen 2.992 N/A GLU 280.A N MET 276.A O no hydrogen 2.786 N/A ALA 281.A N LEU 277.A O no hydrogen 2.834 N/A ARG 282.A N TYR 278.A O no hydrogen 3.172 N/A ARG 282.A NH1 GLY 227.A O no hydrogen 2.521 N/A ARG 282.A NH2 ASP 60.A OD1 no hydrogen 3.125 N/A ARG 282.A NH2 ASP 60.A OD2 no hydrogen 3.426 N/A ARG 282.A NH2 ASP 63.A OD1 no hydrogen 3.109 N/A CYS 283.A N LEU 279.A O no hydrogen 3.226 N/A CYS 283.A SG GLU 265.A OE2 no hydrogen 3.510 N/A CYS 283.A SG LEU 279.A O no hydrogen 3.733 N/A ILE 284.A N GLU 280.A O no hydrogen 2.896 N/A TYR 285.A N ALA 281.A O no hydrogen 2.906 N/A TYR 285.A OH MET 108.A O no hydrogen 2.843 N/A ILE 286.A N ARG 282.A O no hydrogen 2.865 N/A THR 287.A N CYS 283.A O no hydrogen 3.168 N/A THR 287.A OG1 CYS 283.A O no hydrogen 2.847 N/A LYS 288.A N ILE 284.A O no hydrogen 2.924 N/A LYS 288.A NZ LEU 326.A O no hydrogen 2.714 N/A LYS 288.A NZ ASP 327.A O no hydrogen 3.419 N/A ALA 289.A N TYR 285.A O no hydrogen 2.925 N/A ALA 290.A N ILE 286.A O no hydrogen 3.058 N/A GLY 291.A N LYS 288.A O no hydrogen 2.982 N/A VAL 292.A N THR 287.A O no hydrogen 3.278 N/A GLN 293.A NE2 MET 256.A O no hydrogen 3.129 N/A GLN 293.A NE2 GLU 329.A OE1 no hydrogen 2.775 N/A LEU 295.A N GLU 329.A O no hydrogen 2.903 N/A GLN 296.A N PHE 258.A O no hydrogen 3.034 N/A GLN 296.A NE2 THR 259.A OG1 no hydrogen 3.034 N/A ASN 297.A N ALA 331.A O no hydrogen 3.202 N/A ASN 297.A ND2 GLU 280.A OE2 no hydrogen 3.056 N/A ASN 297.A ND2 GLU 319.A O no hydrogen 3.218 N/A GLY 298.A N GLU 319.A OE2 no hydrogen 2.558 N/A SER 299.A N GLU 319.A OE2 no hydrogen 2.798 N/A SER 299.A OG SER 262.A O no hydrogen 2.782 N/A SER 301.A OG GLN 336.A OE1 no hydrogen 3.135 N/A CYS 302.A N SER 299.A O no hydrogen 3.103 N/A VAL 305.A N CYS 302.A O no hydrogen 2.775 N/A SER 307.A N ILE 303.A O no hydrogen 3.188 N/A SER 307.A OG ILE 303.A O no hydrogen 2.762 N/A ALA 308.A N VAL 305.A O no hydrogen 3.170 N/A VAL 309.A N PRO 306.A O no hydrogen 3.036 N/A SER 311.A OG SER 311.A O no hydrogen 2.593 N/A GLY 312.A N VAL 309.A O no hydrogen 3.194 N/A ARG 314.A NE MET 120.A O no hydrogen 2.995 N/A ARG 314.A NH1 GLU 32.A OE2 no hydrogen 3.563 N/A ARG 314.A NH1 SER 311.A OG no hydrogen 3.069 N/A ARG 314.A NH2 MET 120.A O no hydrogen 2.921 N/A ALA 315.A N SER 311.A O no hydrogen 3.005 N/A VAL 316.A N GLY 312.A O no hydrogen 2.949 N/A LEU 317.A N ILE 313.A O no hydrogen 3.146 N/A ALA 318.A N ARG 314.A O no hydrogen 2.790 N/A GLU 319.A N ALA 315.A O no hydrogen 2.722 N/A ASN 320.A N VAL 316.A O no hydrogen 3.294 N/A ASN 320.A ND2 ASN 297.A O no hydrogen 3.008 N/A ASN 320.A ND2 ASN 297.A OD1 no hydrogen 2.745 N/A LEU 321.A N LEU 317.A O no hydrogen 2.898 N/A ILE 322.A N ALA 318.A O no hydrogen 3.034 N/A CYS 323.A N GLU 319.A O no hydrogen 3.173 N/A CYS 323.A SG LEU 328.A O no hydrogen 3.861 N/A CYS 323.A SG GLU 329.A O no hydrogen 3.384 N/A SER 324.A N ASN 320.A O no hydrogen 3.023 N/A SER 325.A N LEU 321.A O no hydrogen 2.741 N/A SER 325.A OG LEU 321.A O no hydrogen 2.784 N/A LEU 326.A N ILE 322.A O no hydrogen 2.843 N/A LEU 326.A N CYS 323.A O no hydrogen 2.950 N/A ASP 327.A N SER 324.A O no hydrogen 2.723 N/A LEU 328.A N CYS 323.A O no hydrogen 3.309 N/A GLU 329.A N GLN 293.A O no hydrogen 2.972 N/A CYS 330.A N ASP 358.A OD2 no hydrogen 2.646 N/A CYS 330.A SG ASN 297.A OD1 no hydrogen 3.545 N/A CYS 330.A SG ASN 320.A O no hydrogen 3.931 N/A ALA 331.A N LEU 295.A O no hydrogen 2.829 N/A SER 332.A N PHE 359.A O no hydrogen 2.908 N/A SER 332.A OG THR 357.A OG1 no hydrogen 2.643 N/A SER 332.A OG PHE 359.A O no hydrogen 2.901 N/A SER 332.A OG ILE 360.A O no hydrogen 2.643 N/A SER 333.A N ALA 331.A O no hydrogen 2.998 N/A SER 333.A OG GLY 298.A O no hydrogen 2.956 N/A SER 333.A OG ASP 335.A OD1 no hydrogen 2.957 N/A ASN 334.A ND2 ARG 348.A O no hydrogen 3.691 N/A GLN 336.A NE2 ASP 335.A O no hydrogen 2.889 N/A GLN 336.A NE2 PHE 374.A O no hydrogen 2.889 N/A THR 337.A N GLY 376.A O no hydrogen 3.103 N/A THR 337.A OG1 ALA 375.A O no hydrogen 2.981 N/A THR 337.A OG1 GLY 376.A O no hydrogen 3.510 N/A THR 339.A OG1 ASP 17.A OD1 no hydrogen 3.383 N/A THR 339.A OG1 ASP 17.A OD2 no hydrogen 2.622 N/A HIS 340.A N ASP 17.A OD1 no hydrogen 2.674 N/A HIS 340.A ND1 ASP 17.A OD1 no hydrogen 2.665 N/A SER 341.A N THR 339.A OG1 no hydrogen 2.732 N/A ARG 344.A N SER 341.A OG no hydrogen 2.957 N/A ARG 344.A NH1 ASP 17.A OD2 no hydrogen 3.089 N/A ARG 344.A NH2 SER 307.A O no hydrogen 2.587 N/A ARG 345.A N SER 341.A O no hydrogen 2.926 N/A ARG 345.A NE ASP 342.A OD1 no hydrogen 2.926 N/A ARG 345.A NH1 ASN 378.A O no hydrogen 2.753 N/A ARG 345.A NH1 ASP 383.A OD2 no hydrogen 2.859 N/A ARG 345.A NH2 ASP 342.A OD1 no hydrogen 3.109 N/A ARG 345.A NH2 ASP 383.A OD1 no hydrogen 2.797 N/A ARG 345.A NH2 ASP 383.A OD2 no hydrogen 3.439 N/A THR 346.A N ASP 342.A O no hydrogen 3.219 N/A THR 346.A N MET 343.A O no hydrogen 3.193 N/A THR 346.A OG1 ASP 342.A O no hydrogen 2.765 N/A ALA 347.A N MET 343.A O no hydrogen 3.054 N/A ARG 348.A N ARG 344.A O no hydrogen 3.196 N/A ARG 348.A NH1 ARG 348.A O no hydrogen 3.484 N/A LEU 349.A N ARG 345.A O no hydrogen 3.023 N/A LEU 350.A N THR 346.A O no hydrogen 2.920 N/A GLN 352.A N LEU 349.A O no hydrogen 3.139 N/A GLN 352.A NE2 ASN 334.A OD1 no hydrogen 2.859 N/A GLN 352.A NE2 ARG 348.A O no hydrogen 3.119 N/A GLN 352.A NE2 LEU 349.A O no hydrogen 3.472 N/A PHE 353.A N LEU 349.A O no hydrogen 3.070 N/A LEU 354.A N LEU 350.A O no hydrogen 2.839 N/A GLY 356.A N GLN 352.A O no hydrogen 2.946 N/A THR 357.A OG1 SER 332.A OG no hydrogen 2.643 N/A PHE 359.A N CYS 330.A O no hydrogen 3.296 N/A ILE 360.A N SER 139.A O no hydrogen 2.796 N/A SER 361.A N GLN 140.A OE1 no hydrogen 3.034 N/A SER 361.A OG GLU 379.A OE1 no hydrogen 3.395 N/A SER 362.A N SER 333.A O no hydrogen 2.698 N/A SER 362.A OG GLN 296.A OE1 no hydrogen 2.705 N/A SER 362.A OG ALA 331.A O no hydrogen 3.560 N/A SER 362.A OG ASP 335.A OD2 no hydrogen 3.103 N/A TYR 364.A N GLN 141.A O no hydrogen 2.832 N/A TYR 364.A OH ASP 380.A O no hydrogen 3.038 N/A SER 365.A N GLU 379.A O no hydrogen 2.936 N/A SER 365.A OG VAL 367.A O no hydrogen 2.929 N/A ALA 366.A N HIS 143.A O no hydrogen 2.987 N/A ASN 369.A N ASP 380.A OD2 no hydrogen 2.829 N/A ASN 369.A ND2 SER 377.A O no hydrogen 2.977 N/A ASP 371.A N PRO 368.A O no hydrogen 2.749 N/A ASN 372.A N ASN 369.A O no hydrogen 3.041 N/A ASN 372.A ND2 HIS 143.A ND1 no hydrogen 3.182 N/A ASN 372.A ND2 SER 365.A OG no hydrogen 2.993 N/A MET 373.A N THR 145.A OG1 no hydrogen 2.992 N/A PHE 374.A N ASN 372.A OD1 no hydrogen 3.019 N/A ALA 375.A N ASN 372.A O no hydrogen 3.262 N/A GLY 376.A N ASN 372.A OD1 no hydrogen 2.650 N/A SER 377.A N ASN 369.A OD1 no hydrogen 2.922 N/A SER 377.A OG GLY 363.A O no hydrogen 2.793 N/A SER 377.A OG GLU 379.A O no hydrogen 3.075 N/A ASN 378.A ND2 ARG 345.A O no hydrogen 2.966 N/A ASN 378.A ND2 GLU 379.A OE2 no hydrogen 3.020 N/A ASP 380.A N ASP 383.A OD2 no hydrogen 2.967 N/A ALA 381.A N VAL 367.A O no hydrogen 3.355 N/A GLU 382.A N ASP 380.A OD1 no hydrogen 2.833 N/A ASP 383.A N ASP 380.A O no hydrogen 2.939 N/A PHE 384.A N ALA 381.A O no hydrogen 3.184 N/A TYR 387.A N ASP 383.A O no hydrogen 3.040 N/A TYR 387.A OH GLY 398.A O no hydrogen 2.725 N/A ASN 388.A N PHE 384.A O no hydrogen 3.295 N/A VAL 389.A N ASP 385.A O no hydrogen 2.976 N/A ILE 390.A N ASP 386.A O no hydrogen 2.908 N/A GLN 391.A N TYR 387.A O no hydrogen 3.034 N/A GLN 391.A NE2 LEU 400.A O no hydrogen 3.174 N/A ARG 392.A N ASN 388.A O no hydrogen 3.143 N/A ARG 392.A NE LYS 542.A O no hydrogen 2.882 N/A ASP 393.A N VAL 389.A O no hydrogen 2.889 N/A LEU 394.A N ILE 390.A O no hydrogen 3.016 N/A VAL 396.A N GLN 391.A O no hydrogen 3.090 N/A GLY 399.A N ASP 397.A OD1 no hydrogen 2.675 N/A LEU 400.A N GLN 391.A OE1 no hydrogen 3.247 N/A ARG 401.A N ARG 164.A O no hydrogen 3.040 N/A ARG 401.A NE TRP 163.A O no hydrogen 3.116 N/A ARG 401.A NH1 GLU 540.A OE2 no hydrogen 3.181 N/A ARG 401.A NH2 TRP 163.A O no hydrogen 3.021 N/A ARG 404.A NE ASP 407.A OD2 no hydrogen 2.934 N/A ARG 404.A NH2 ASP 407.A OD1 no hydrogen 3.326 N/A ARG 404.A NH2 ASP 407.A OD2 no hydrogen 2.989 N/A VAL 408.A N ARG 404.A O no hydrogen 2.938 N/A ILE 409.A N GLU 405.A O no hydrogen 2.890 N/A ALA 410.A N GLU 406.A O no hydrogen 3.194 N/A ILE 411.A N ASP 407.A O no hydrogen 3.011 N/A ARG 412.A N VAL 408.A O no hydrogen 2.795 N/A ARG 412.A NE ALA 439.A O no hydrogen 2.816 N/A ARG 412.A NH1 ASP 157.A OD1 no hydrogen 2.911 N/A ARG 412.A NH1 GLU 160.A OE1 no hydrogen 2.701 N/A ARG 412.A NH2 ASP 157.A OD1 no hydrogen 3.254 N/A ARG 412.A NH2 ALA 439.A O no hydrogen 2.894 N/A ASN 413.A N ILE 409.A O no hydrogen 2.799 N/A ASN 413.A ND2 THR 440.A OG1 no hydrogen 2.914 N/A LYS 414.A N ALA 410.A O no hydrogen 2.949 N/A ALA 415.A N ILE 411.A O no hydrogen 3.058 N/A ALA 416.A N ARG 412.A O no hydrogen 3.013 N/A ARG 417.A N ASN 413.A O no hydrogen 2.951 N/A ARG 417.A NE ASN 413.A OD1 no hydrogen 2.657 N/A ARG 417.A NH2 ASN 413.A OD1 no hydrogen 3.020 N/A ALA 418.A N LYS 414.A O no hydrogen 2.915 N/A LEU 419.A N ALA 415.A O no hydrogen 2.813 N/A GLN 420.A N ALA 416.A O no hydrogen 2.734 N/A GLN 420.A NE2 ILE 431.A O no hydrogen 2.497 N/A GLN 420.A NE2 ASP 433.A OD1 no hydrogen 2.742 N/A ALA 421.A N ARG 417.A O no hydrogen 2.850 N/A VAL 422.A N ALA 418.A O no hydrogen 2.770 N/A PHE 423.A N LEU 419.A O no hydrogen 2.978 N/A ALA 424.A N GLN 420.A O no hydrogen 2.945 N/A GLY 425.A N ALA 421.A O no hydrogen 2.924 N/A MET 426.A N VAL 422.A O no hydrogen 2.747 N/A GLY 427.A N ALA 424.A O no hydrogen 3.014 N/A LEU 428.A N PHE 423.A O no hydrogen 2.833 N/A THR 432.A N GLU 435.A OE1 no hydrogen 2.832 N/A THR 432.A OG1 GLU 434.A OE1 no hydrogen 2.780 N/A THR 432.A OG1 GLU 435.A OE1 no hydrogen 3.425 N/A GLU 435.A N THR 432.A OG1 no hydrogen 3.183 N/A VAL 436.A N THR 432.A O no hydrogen 2.993 N/A GLU 437.A N ASP 433.A O no hydrogen 2.955 N/A ALA 438.A N GLU 434.A O no hydrogen 2.749 N/A ALA 439.A N GLU 435.A O no hydrogen 2.823 N/A THR 440.A N VAL 436.A O no hydrogen 3.255 N/A THR 440.A N GLU 437.A O no hydrogen 3.178 N/A THR 440.A OG1 VAL 436.A O no hydrogen 2.889 N/A TYR 441.A N ALA 438.A O no hydrogen 3.232 N/A HIS 443.A N ASP 447.A OD2 no hydrogen 2.724 N/A HIS 443.A NE2 GLU 382.A OE2 no hydrogen 2.860 N/A GLY 444.A N ASP 447.A OD2 no hydrogen 3.040 N/A SER 445.A N ASP 371.A OD2 no hydrogen 2.695 N/A SER 445.A OG ASP 371.A OD1 no hydrogen 2.649 N/A SER 445.A OG ASP 371.A OD2 no hydrogen 3.460 N/A LYS 446.A N TYR 370.A OH no hydrogen 2.677 N/A ASP 447.A N GLY 444.A O no hydrogen 2.787 N/A MET 448.A N SER 445.A O no hydrogen 3.142 N/A ARG 451.A NE ASP 456.A OD2 no hydrogen 2.764 N/A ARG 451.A NH1 PRO 430.A O no hydrogen 2.909 N/A ARG 451.A NH1 GLU 435.A OE2 no hydrogen 3.018 N/A ARG 451.A NH2 PRO 429.A O no hydrogen 3.114 N/A ARG 451.A NH2 PRO 430.A O no hydrogen 3.503 N/A ARG 451.A NH2 ASP 456.A OD1 no hydrogen 2.505 N/A ARG 451.A NH2 ASP 456.A OD2 no hydrogen 3.405 N/A GLU 455.A N ASN 452.A OD1 no hydrogen 3.126 N/A ASP 456.A N ASN 452.A O no hydrogen 3.092 N/A ILE 457.A N ILE 453.A O no hydrogen 2.864 N/A LYS 458.A N VAL 454.A O no hydrogen 3.153 N/A LYS 458.A N GLU 455.A O no hydrogen 2.573 N/A LYS 458.A NZ GLU 462.A OE1 no hydrogen 3.466 N/A PHE 459.A N GLU 455.A O no hydrogen 3.291 N/A ALA 460.A N ASP 456.A O no hydrogen 2.775 N/A GLN 461.A N ILE 457.A O no hydrogen 3.246 N/A GLN 461.A NE2 ARG 177.A O no hydrogen 3.039 N/A GLU 462.A N LYS 458.A O no hydrogen 3.239 N/A ILE 463.A N PHE 459.A O no hydrogen 3.181 N/A ILE 463.A N ALA 460.A O no hydrogen 2.990 N/A ASN 465.A N GLN 461.A O no hydrogen 2.811 N/A LYS 466.A N GLU 462.A O no hydrogen 2.598 N/A ASN 467.A N ILE 464.A O no hydrogen 2.760 N/A ARG 468.A N ILE 463.A O no hydrogen 2.858 N/A ARG 468.A NE GLU 472.A OE1 no hydrogen 3.082 N/A ARG 468.A NE GLU 472.A OE2 no hydrogen 2.855 N/A ARG 468.A NH1 MET 426.A O no hydrogen 3.553 N/A ARG 468.A NH2 MET 426.A O no hydrogen 2.950 N/A ARG 468.A NH2 GLU 472.A OE1 no hydrogen 2.496 N/A GLY 470.A N LEU 214.A O no hydrogen 2.896 N/A LEU 471.A N ASN 469.A OD1 no hydrogen 2.812 N/A GLU 472.A N ASN 469.A O no hydrogen 2.933 N/A VAL 474.A N GLY 470.A O no hydrogen 3.004 N/A LYS 475.A N LEU 471.A O no hydrogen 2.826 N/A ALA 476.A N GLU 472.A O no hydrogen 2.854 N/A LEU 477.A N VAL 473.A O no hydrogen 2.984 N/A ALA 478.A N VAL 474.A O no hydrogen 3.130 N/A GLN 479.A N LYS 475.A O no hydrogen 2.794 N/A GLY 480.A N ALA 476.A O no hydrogen 3.160 N/A GLY 481.A N ALA 478.A O no hydrogen 3.458 N/A PHE 482.A N LEU 477.A O no hydrogen 2.666 N/A VAL 485.A N ASP 484.A OD1 no hydrogen 2.489 N/A ALA 486.A N PHE 482.A O no hydrogen 2.884 N/A GLN 487.A N THR 483.A O no hydrogen 2.688 N/A GLN 487.A NE2 GLN 487.A O no hydrogen 3.415 N/A GLN 487.A NE2 ASN 491.A OD1 no hydrogen 3.185 N/A ASP 488.A N ASP 484.A O no hydrogen 2.678 N/A MET 489.A N VAL 485.A O no hydrogen 2.566 N/A LEU 490.A N ALA 486.A O no hydrogen 2.964 N/A ASN 491.A N GLN 487.A O no hydrogen 2.878 N/A ILE 492.A N ASP 488.A O no hydrogen 3.270 N/A GLN 493.A N MET 489.A O no hydrogen 3.111 N/A LYS 494.A N LEU 490.A O no hydrogen 2.515 N/A ALA 495.A N ASN 491.A O no hydrogen 2.846 N/A LYS 496.A N GLN 493.A O no hydrogen 2.937 N/A LYS 496.A NZ THR 217.A O no hydrogen 2.995 N/A LYS 496.A NZ GLN 493.A OE1 no hydrogen 3.128 N/A LEU 497.A N LYS 494.A O no hydrogen 2.974 N/A THR 498.A OG1 ALA 495.A O no hydrogen 3.562 N/A THR 498.A OG1 ASP 500.A OD2 no hydrogen 3.421 N/A ASP 500.A N THR 498.A OG1 no hydrogen 3.271 N/A TYR 501.A OH CYS 218.A O no hydrogen 2.469 N/A LEU 502.A N GLY 499.A O no hydrogen 3.293 N/A HIS 503.A N ASP 500.A O no hydrogen 3.277 N/A SER 505.A N GLN 293.A OE1 no hydrogen 3.096 N/A SER 505.A OG ASP 358.A OD1 no hydrogen 2.859 N/A ALA 506.A N HIS 503.A O no hydrogen 3.112 N/A ILE 507.A N LEU 515.A O no hydrogen 2.969 N/A VAL 509.A N GLN 513.A O no hydrogen 3.086 N/A GLN 513.A N VAL 509.A O no hydrogen 3.031 N/A GLN 513.A NE2 ASP 511.A O no hydrogen 2.816 N/A LEU 515.A N ILE 507.A O no hydrogen 2.866 N/A SER 516.A N ASN 519.A OD1 no hydrogen 2.774 N/A SER 516.A OG ASN 519.A OD1 no hydrogen 3.497 N/A ALA 517.A N THR 504.A O no hydrogen 2.733 N/A VAL 518.A N SER 516.A OG no hydrogen 3.031 N/A ASN 519.A ND2 VAL 514.A O no hydrogen 2.841 N/A ASN 522.A ND2 GLN 130.A O no hydrogen 2.942 N/A ASN 522.A ND2 ARG 133.A O no hydrogen 3.002 N/A ALA 525.A N THR 529.A OG1 no hydrogen 2.686 N/A THR 529.A N GLY 526.A O no hydrogen 3.054 N/A THR 529.A OG1 GLY 526.A O no hydrogen 2.771 N/A TYR 531.A OH ASP 397.A OD2 no hydrogen 2.549 N/A ARG 532.A NE THR 529.A O no hydrogen 2.854 N/A ARG 532.A NH2 THR 529.A O no hydrogen 2.937 N/A ARG 537.A NE ASP 397.A OD1 no hydrogen 3.371 N/A ARG 537.A NE ASP 397.A OD2 no hydrogen 3.047 N/A ARG 537.A NH1 LEU 400.A O no hydrogen 3.363 N/A ARG 537.A NH1 GLU 540.A OE1 no hydrogen 2.919 N/A ARG 537.A NH2 ASP 397.A OD1 no hydrogen 2.913 N/A ARG 537.A NH2 LEU 400.A O no hydrogen 2.657 N/A TRP 538.A N GLN 534.A O no hydrogen 3.148 N/A GLU 539.A N GLY 535.A O no hydrogen 2.966 N/A GLU 540.A N GLU 536.A O no hydrogen 2.899 N/A ILE 541.A N ARG 537.A O no hydrogen 3.022 N/A LYS 542.A N TRP 538.A O no hydrogen 2.780 N/A LYS 542.A NZ GLU 539.A OE2 no hydrogen 2.504 N/A ASN 543.A N GLU 540.A O no hydrogen 3.228 N/A ILE 544.A N LYS 542.A O no hydrogen 2.850 N/A