Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2p2f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A N LEU 427.A O no hydrogen 2.577 N/A HIS 2.A NE2 GLU 391.A OE2 no hydrogen 3.102 N/A ILE 8.A N PRO 5.A O no hydrogen 3.177 N/A ALA 9.A N PRO 5.A O no hydrogen 3.170 N/A ASP 10.A N ALA 6.A O no hydrogen 3.004 N/A ARG 11.A N ILE 8.A O no hydrogen 3.030 N/A ARG 11.A NH2 ASP 294.A OD1 no hydrogen 3.476 N/A CYS 12.A N ILE 8.A O no hydrogen 2.891 N/A CYS 12.A SG ALA 9.A O no hydrogen 3.661 N/A CYS 12.A SG ILE 14.A O no hydrogen 3.896 N/A CYS 12.A SG GLY 423.A O no hydrogen 4.007 N/A LEU 13.A N ASP 289.A OD2 no hydrogen 2.735 N/A ASN 15.A N GLN 18.A OE1 no hydrogen 2.918 N/A GLN 18.A N ASN 15.A OD1 no hydrogen 2.849 N/A TYR 19.A N ASN 15.A O no hydrogen 2.824 N/A TYR 19.A OH PRO 435.A O no hydrogen 2.705 N/A GLU 20.A N PRO 16.A O no hydrogen 3.094 N/A THR 21.A N GLU 17.A O no hydrogen 2.928 N/A THR 21.A OG1 GLU 17.A O no hydrogen 3.076 N/A LYS 22.A N GLN 18.A O no hydrogen 2.875 N/A TYR 23.A N TYR 19.A O no hydrogen 2.858 N/A TYR 23.A OH VAL 439.A O no hydrogen 2.813 N/A LYS 24.A N GLU 20.A O no hydrogen 2.947 N/A GLN 25.A N THR 21.A O no hydrogen 3.096 N/A SER 26.A N LYS 22.A O no hydrogen 2.988 N/A SER 26.A OG LYS 22.A O no hydrogen 3.362 N/A SER 26.A OG TYR 23.A O no hydrogen 2.619 N/A ILE 27.A N TYR 23.A O no hydrogen 3.235 N/A ILE 27.A N LYS 24.A O no hydrogen 3.277 N/A ASN 28.A N LYS 24.A O no hydrogen 2.989 N/A ASP 29.A N GLN 25.A O no hydrogen 2.724 N/A THR 32.A N ASP 29.A OD1 no hydrogen 3.363 N/A THR 32.A OG1 ASP 29.A OD1 no hydrogen 3.087 N/A THR 32.A OG1 ASP 29.A OD2 no hydrogen 2.460 N/A PHE 33.A N ASP 29.A O no hydrogen 3.012 N/A TRP 34.A N PRO 30.A O no hydrogen 2.702 N/A GLY 35.A N ASP 31.A O no hydrogen 2.933 N/A GLU 36.A N THR 32.A O no hydrogen 3.066 N/A GLN 37.A N PHE 33.A O no hydrogen 2.903 N/A GLY 38.A N TRP 34.A O no hydrogen 2.842 N/A LYS 39.A N GLU 36.A O no hydrogen 3.006 N/A ILE 40.A N GLN 37.A O no hydrogen 3.279 N/A LEU 41.A N GLY 38.A O no hydrogen 3.335 N/A ASP 42.A N ASN 75.A OD1 no hydrogen 2.730 N/A TRP 43.A NE1 GLY 38.A O no hydrogen 3.050 N/A ILE 44.A N THR 69.A O no hydrogen 2.811 N/A THR 45.A N THR 69.A OG1 no hydrogen 2.945 N/A TYR 47.A OH GLY 35.A O no hydrogen 2.553 N/A GLN 48.A N ASP 67.A OD1 no hydrogen 2.750 N/A LYS 49.A N ASP 67.A OD1 no hydrogen 3.337 N/A LYS 49.A N ASP 67.A OD2 no hydrogen 3.250 N/A LYS 51.A N ASP 31.A OD2 no hydrogen 2.672 N/A LYS 51.A NZ THR 53.A OG1 no hydrogen 2.921 N/A LYS 51.A NZ ASP 463.A OD1 no hydrogen 2.557 N/A LYS 51.A NZ ASP 463.A OD2 no hydrogen 3.287 N/A ASN 52.A N LYS 63.A O no hydrogen 2.953 N/A ASN 52.A ND2 GLU 66.A OE1 no hydrogen 2.675 N/A THR 53.A OG1 ASP 463.A OD1 no hydrogen 3.565 N/A SER 54.A N SER 61.A O no hydrogen 3.000 N/A SER 54.A OG ASN 59.A O no hydrogen 3.333 N/A ALA 56.A N SER 54.A OG no hydrogen 3.293 N/A ASN 59.A N ALA 56.A O no hydrogen 2.822 N/A VAL 60.A N GLU 480.A OE2 no hydrogen 3.038 N/A SER 61.A N SER 54.A O no hydrogen 3.135 N/A LYS 63.A N ASN 52.A O no hydrogen 3.081 N/A TRP 64.A N GLU 251.A OE2 no hydrogen 2.822 N/A TRP 64.A NE1 SER 464.A OG no hydrogen 3.219 N/A TYR 65.A N VAL 50.A O no hydrogen 2.856 N/A TYR 65.A OH TRP 34.A O no hydrogen 2.655 N/A GLY 68.A N TYR 65.A O no hydrogen 3.040 N/A THR 69.A N THR 45.A O no hydrogen 3.062 N/A LEU 70.A N MET 248.A O no hydrogen 2.889 N/A ASN 75.A N ASN 71.A O no hydrogen 3.194 N/A ASN 75.A ND2 ASP 42.A O no hydrogen 2.932 N/A ASN 75.A ND2 ASN 71.A O no hydrogen 3.099 N/A CYS 76.A N LEU 72.A O no hydrogen 3.005 N/A CYS 76.A SG LEU 72.A O no hydrogen 3.511 N/A CYS 76.A SG TYR 313.A O no hydrogen 3.617 N/A ARG 79.A N ALA 74.A O no hydrogen 2.954 N/A ARG 79.A NE ASN 75.A O no hydrogen 2.860 N/A ARG 79.A NH1 ILE 40.A O no hydrogen 3.028 N/A ARG 79.A NH1 ASP 42.A OD2 no hydrogen 3.036 N/A ARG 79.A NH2 ILE 40.A O no hydrogen 2.861 N/A ARG 79.A NH2 ALA 317.A O no hydrogen 2.767 N/A HIS 80.A N LEU 77.A O no hydrogen 3.015 N/A LEU 81.A N ASP 78.A O no hydrogen 3.124 N/A GLN 82.A NE2 GLU 83.A OE1 no hydrogen 3.314 N/A ASN 84.A N HIS 80.A O no hydrogen 2.830 N/A GLY 85.A N LEU 81.A O no hydrogen 3.142 N/A ARG 87.A N ASN 84.A O no hydrogen 2.902 N/A ARG 87.A NH1 GLY 319.A O no hydrogen 2.904 N/A ALA 89.A N ILE 103.A O no hydrogen 2.706 N/A ILE 90.A N ILE 103.A O no hydrogen 3.116 N/A ILE 91.A N THR 322.A O no hydrogen 2.891 N/A TRP 92.A N LYS 101.A O no hydrogen 2.843 N/A TRP 92.A NE1 MET 136.A O no hydrogen 2.930 N/A GLU 93.A N MET 324.A O no hydrogen 2.974 N/A GLY 94.A N GLN 99.A O no hydrogen 2.864 N/A ASP 95.A N GLU 326.A OE1 no hydrogen 2.731 N/A THR 97.A OG1 GLU 93.A OE2 no hydrogen 2.569 N/A SER 98.A N ASP 96.A OD1 no hydrogen 2.996 N/A SER 98.A OG ASP 96.A OD1 no hydrogen 2.513 N/A GLN 99.A N ASP 96.A O no hydrogen 2.994 N/A LYS 101.A N TRP 92.A O no hydrogen 2.897 N/A ILE 103.A N ILE 90.A O no hydrogen 2.876 N/A SER 104.A N GLU 107.A OE1 no hydrogen 2.708 N/A SER 104.A OG GLY 85.A O no hydrogen 3.342 N/A TYR 105.A N ARG 87.A O no hydrogen 2.992 N/A TYR 105.A OH ALA 320.A O no hydrogen 2.676 N/A ARG 106.A N GLY 85.A O no hydrogen 2.956 N/A GLU 107.A N SER 104.A OG no hydrogen 2.907 N/A LEU 108.A N SER 104.A O no hydrogen 2.879 N/A HIS 109.A N TYR 105.A O no hydrogen 2.889 N/A HIS 109.A NE2 ASP 78.A OD1 no hydrogen 3.258 N/A ARG 110.A N ARG 106.A O no hydrogen 2.975 N/A ASP 111.A N GLU 107.A O no hydrogen 3.177 N/A VAL 112.A N LEU 108.A O no hydrogen 2.959 N/A CYS 113.A N HIS 109.A O no hydrogen 2.876 N/A CYS 113.A SG HIS 109.A O no hydrogen 3.397 N/A ARG 114.A N ARG 110.A O no hydrogen 3.090 N/A ARG 114.A NE ASP 111.A OD1 no hydrogen 3.335 N/A ARG 114.A NH1 GLU 237.A OE2 no hydrogen 3.230 N/A ARG 114.A NH2 ASP 111.A OD1 no hydrogen 3.219 N/A ARG 114.A NH2 GLU 237.A OE2 no hydrogen 3.482 N/A PHE 115.A N ASP 111.A O no hydrogen 2.770 N/A ALA 116.A N VAL 112.A O no hydrogen 2.723 N/A ASN 117.A N CYS 113.A O no hydrogen 3.035 N/A ASN 117.A ND2 SER 240.A O no hydrogen 2.794 N/A ASN 117.A ND2 GLU 242.A O no hydrogen 2.679 N/A THR 118.A N ARG 114.A O no hydrogen 2.964 N/A THR 118.A OG1 ARG 114.A O no hydrogen 2.825 N/A LEU 119.A N PHE 115.A O no hydrogen 2.945 N/A LEU 120.A N ALA 116.A O no hydrogen 2.838 N/A ASP 121.A N ASN 117.A O no hydrogen 2.876 N/A LEU 122.A N THR 118.A O no hydrogen 3.100 N/A LEU 122.A N LEU 119.A O no hydrogen 3.247 N/A GLY 123.A N LEU 120.A O no hydrogen 3.177 N/A ILE 124.A N LEU 119.A O no hydrogen 3.110 N/A LYS 125.A N ASP 128.A OD2 no hydrogen 2.631 N/A LYS 126.A NZ ASP 252.A OD2 no hydrogen 2.789 N/A GLY 127.A N GLY 151.A O no hydrogen 3.166 N/A ASP 128.A N LYS 125.A O no hydrogen 2.978 N/A VAL 130.A N VAL 153.A O no hydrogen 2.995 N/A ALA 131.A N LEU 177.A O no hydrogen 3.074 N/A ILE 132.A N SER 155.A O no hydrogen 2.788 N/A TYR 133.A N ILE 179.A O no hydrogen 2.853 N/A TYR 133.A OH GLY 159.A O no hydrogen 3.190 N/A TYR 133.A OH PHE 161.A O no hydrogen 2.781 N/A VAL 137.A N PRO 135.A O no hydrogen 2.839 N/A GLU 139.A N GLU 139.A OE1 no hydrogen 2.790 N/A ALA 140.A N VAL 137.A O no hydrogen 3.102 N/A VAL 142.A N PRO 138.A O no hydrogen 3.005 N/A ALA 143.A N GLU 139.A O no hydrogen 2.830 N/A MET 144.A N ALA 140.A O no hydrogen 2.934 N/A LEU 145.A N ALA 141.A O no hydrogen 2.949 N/A ALA 146.A N VAL 142.A O no hydrogen 2.980 N/A CYS 147.A N ALA 143.A O no hydrogen 2.989 N/A CYS 147.A SG ALA 143.A O no hydrogen 3.364 N/A ALA 148.A N MET 144.A O no hydrogen 3.080 N/A ARG 149.A N LEU 145.A O no hydrogen 2.809 N/A ARG 149.A NE HIS 243.A ND1 no hydrogen 2.932 N/A ARG 149.A NH1 ASP 78.A OD1 no hydrogen 3.473 N/A ARG 149.A NH1 ASP 78.A OD2 no hydrogen 2.620 N/A ARG 149.A NH2 ASP 78.A OD1 no hydrogen 2.975 N/A ARG 149.A NH2 HIS 243.A O no hydrogen 2.849 N/A ILE 150.A N ALA 146.A O no hydrogen 3.295 N/A GLY 151.A N ALA 148.A O no hydrogen 3.141 N/A VAL 153.A N ASP 128.A O no hydrogen 2.786 N/A HIS 154.A NE2 TYR 313.A OH no hydrogen 2.730 N/A SER 155.A N VAL 130.A O no hydrogen 2.493 N/A SER 155.A OG ILE 256.A O no hydrogen 3.557 N/A ILE 157.A N ILE 132.A O no hydrogen 2.722 N/A PHE 161.A N PHE 158.A O no hydrogen 2.938 N/A SER 162.A N ILE 582.A O no hydrogen 2.826 N/A SER 162.A OG LYS 580.A O no hydrogen 2.789 N/A SER 162.A OG ILE 582.A O no hydrogen 2.964 N/A ALA 165.A N SER 162.A OG no hydrogen 3.237 N/A VAL 166.A N SER 162.A O no hydrogen 2.970 N/A ALA 167.A N PRO 163.A O no hydrogen 2.853 N/A GLY 168.A N GLU 164.A O no hydrogen 3.315 N/A ARG 169.A N ALA 165.A O no hydrogen 3.312 N/A ARG 169.A NH1 ALA 165.A O no hydrogen 3.157 N/A ILE 170.A N VAL 166.A O no hydrogen 2.980 N/A ILE 171.A N ALA 167.A O no hydrogen 2.797 N/A ASP 172.A N GLY 168.A O no hydrogen 2.958 N/A SER 173.A N ARG 169.A O no hydrogen 3.126 N/A SER 173.A OG ARG 169.A O no hydrogen 2.702 N/A SER 173.A OG ILE 170.A O no hydrogen 3.270 N/A SER 173.A OG SER 175.A OG no hydrogen 2.633 N/A SER 174.A N ILE 171.A O no hydrogen 3.331 N/A SER 175.A N ILE 170.A O no hydrogen 3.385 N/A SER 175.A OG SER 173.A OG no hydrogen 2.633 N/A ARG 176.A N VAL 129.A O no hydrogen 3.075 N/A ARG 176.A NH1 SER 208.A O no hydrogen 2.808 N/A VAL 178.A N HIS 211.A O no hydrogen 3.072 N/A ILE 179.A N ALA 131.A O no hydrogen 2.830 N/A THR 180.A N ILE 213.A O no hydrogen 2.835 N/A THR 180.A OG1 TYR 133.A O no hydrogen 2.588 N/A THR 180.A OG1 ALA 181.A O no hydrogen 3.493 N/A ALA 181.A N THR 180.A OG1 no hydrogen 2.613 N/A ASP 182.A N LEU 215.A O no hydrogen 2.868 N/A GLU 183.A N ASP 182.A OD1 no hydrogen 2.618 N/A GLY 184.A N ILE 191.A O no hydrogen 2.970 N/A ARG 186.A N ARG 189.A O no hydrogen 2.844 N/A ALA 187.A N ASP 95.A OD1 no hydrogen 2.982 N/A GLY 188.A N ASP 95.A OD2 no hydrogen 2.689 N/A ARG 189.A N ARG 186.A O no hydrogen 2.966 N/A SER 190.A OG GLU 183.A OE1 no hydrogen 3.027 N/A ILE 191.A N GLY 184.A O no hydrogen 2.694 N/A LEU 193.A N ILE 191.A O no hydrogen 2.811 N/A LYS 194.A N ASP 182.A O no hydrogen 3.333 N/A LYS 194.A NZ ASP 198.A OD1 no hydrogen 2.747 N/A LYS 194.A NZ ASP 198.A OD2 no hydrogen 3.307 N/A LYS 194.A NZ ASP 223.A O no hydrogen 2.718 N/A LYS 194.A NZ ASP 229.A OD2 no hydrogen 3.089 N/A LYS 195.A NZ ASP 223.A OD1 no hydrogen 3.302 N/A ASN 196.A N PRO 192.A O no hydrogen 3.055 N/A ASN 196.A ND2 TYR 133.A OH no hydrogen 2.646 N/A VAL 197.A N LEU 193.A O no hydrogen 2.975 N/A ASP 198.A N LYS 194.A O no hydrogen 2.713 N/A ASP 199.A N LYS 195.A O no hydrogen 2.926 N/A ALA 200.A N ASN 196.A O no hydrogen 2.975 N/A LEU 201.A N VAL 197.A O no hydrogen 3.027 N/A LYS 202.A N ASP 199.A O no hydrogen 3.210 N/A ASN 203.A N ALA 200.A O no hydrogen 3.313 N/A ASN 205.A N ASN 203.A OD1 no hydrogen 2.785 N/A ASN 205.A ND2 ASN 203.A OD1 no hydrogen 3.539 N/A VAL 206.A N ASN 203.A O no hydrogen 3.147 N/A SER 208.A OG SER 175.A O no hydrogen 2.981 N/A GLU 210.A N ARG 176.A O no hydrogen 2.850 N/A HIS 211.A ND1 ARG 228.A O no hydrogen 3.203 N/A VAL 212.A N ARG 228.A O no hydrogen 3.068 N/A ILE 213.A N VAL 178.A O no hydrogen 2.744 N/A VAL 214.A N LEU 230.A O no hydrogen 2.661 N/A LEU 215.A N THR 180.A O no hydrogen 2.786 N/A ARG 217.A N ASP 182.A OD1 no hydrogen 2.781 N/A ARG 217.A NE GLU 326.A OE2 no hydrogen 3.071 N/A ARG 217.A NH1 ARG 217.A O no hydrogen 2.618 N/A ARG 217.A NH2 GLN 99.A OE1 no hydrogen 3.338 N/A ARG 217.A NH2 GLU 326.A OE1 no hydrogen 3.532 N/A ARG 217.A NH2 GLU 326.A OE2 no hydrogen 2.883 N/A THR 218.A N ASP 182.A OD1 no hydrogen 3.014 N/A THR 218.A N ASP 182.A OD2 no hydrogen 3.278 N/A THR 218.A OG1 GLU 183.A OE1 no hydrogen 2.689 N/A GLY 219.A N ASP 182.A OD2 no hydrogen 2.777 N/A SER 220.A N THR 218.A OG1 no hydrogen 3.283 N/A SER 220.A OG GLU 183.A OE1 no hydrogen 2.813 N/A GLN 225.A N ASP 229.A OD2 no hydrogen 2.740 N/A ARG 228.A NE ASP 229.A OD1 no hydrogen 2.617 N/A ARG 228.A NH2 ASP 198.A OD1 no hydrogen 3.155 N/A ARG 228.A NH2 ASP 229.A OD1 no hydrogen 3.024 N/A ARG 228.A NH2 ASP 229.A OD2 no hydrogen 3.185 N/A ASP 229.A N GLN 225.A O no hydrogen 2.969 N/A LEU 230.A N VAL 212.A O no hydrogen 2.876 N/A TRP 232.A N VAL 214.A O no hydrogen 2.740 N/A LEU 235.A N TRP 231.A O no hydrogen 3.288 N/A LEU 235.A N TRP 232.A O no hydrogen 3.208 N/A ILE 236.A N TRP 232.A O no hydrogen 3.051 N/A GLU 237.A N ARG 233.A O no hydrogen 2.987 N/A LYS 238.A N LEU 235.A O no hydrogen 3.010 N/A ALA 239.A N ILE 236.A O no hydrogen 3.119 N/A GLU 242.A N SER 240.A OG no hydrogen 3.014 N/A MET 248.A N LEU 70.A O no hydrogen 2.729 N/A ASN 249.A N ASP 252.A OD2 no hydrogen 2.747 N/A ASN 249.A ND2 GLU 66.A O no hydrogen 3.052 N/A ALA 250.A N GLY 68.A O no hydrogen 2.932 N/A GLU 251.A N ASN 249.A OD1 no hydrogen 3.072 N/A ASP 252.A N ASN 249.A O no hydrogen 2.691 N/A LEU 254.A N HIS 271.A O no hydrogen 2.583 N/A PHE 255.A N HIS 271.A O no hydrogen 3.302 N/A ILE 256.A N HIS 154.A O no hydrogen 3.164 N/A LEU 257.A N VAL 269.A O no hydrogen 2.843 N/A TYR 258.A OH ASP 172.A OD1 no hydrogen 2.386 N/A THR 259.A N LYS 267.A O no hydrogen 2.901 N/A THR 259.A OG1 LEU 257.A O no hydrogen 3.157 N/A SER 260.A OG ARG 521.A O no hydrogen 3.316 N/A SER 260.A OG GLU 526.A OE2 no hydrogen 2.580 N/A LYS 267.A N THR 259.A O no hydrogen 2.985 N/A VAL 269.A N LEU 257.A O no hydrogen 2.970 N/A LEU 270.A N THR 471.A O no hydrogen 2.884 N/A HIS 271.A N PHE 255.A O no hydrogen 2.940 N/A HIS 271.A NE2 THR 411.A O no hydrogen 2.879 N/A THR 272.A OG1 GLU 251.A OE1 no hydrogen 2.796 N/A THR 273.A N ALA 250.A O no hydrogen 3.133 N/A THR 273.A OG1 ASP 252.A O no hydrogen 2.824 N/A GLY 274.A N ALA 250.A O no hydrogen 2.855 N/A TYR 276.A OH SER 309.A OG no hydrogen 2.716 N/A LEU 277.A N THR 273.A O no hydrogen 3.133 N/A VAL 278.A N GLY 274.A O no hydrogen 2.980 N/A TYR 279.A N GLY 275.A O no hydrogen 3.076 N/A TYR 279.A OH PHE 416.A O no hydrogen 2.573 N/A ALA 280.A N TYR 276.A O no hydrogen 2.900 N/A ALA 281.A N LEU 277.A O no hydrogen 2.946 N/A THR 282.A N VAL 278.A O no hydrogen 2.855 N/A THR 282.A OG1 GLN 37.A OE1 no hydrogen 3.251 N/A THR 282.A OG1 VAL 278.A O no hydrogen 2.632 N/A THR 283.A N TYR 279.A O no hydrogen 2.926 N/A THR 283.A OG1 TYR 279.A O no hydrogen 2.663 N/A THR 283.A OG1 ALA 280.A O no hydrogen 2.927 N/A THR 283.A OG1 TYR 310.A OH no hydrogen 2.608 N/A PHE 284.A N ALA 280.A O no hydrogen 2.889 N/A LYS 285.A N ALA 281.A O no hydrogen 2.935 N/A TYR 286.A N THR 282.A O no hydrogen 3.060 N/A VAL 287.A N THR 283.A O no hydrogen 2.970 N/A PHE 288.A N PHE 284.A O no hydrogen 3.161 N/A TYR 290.A N LYS 285.A O no hydrogen 2.922 N/A HIS 291.A N ASP 294.A OD2 no hydrogen 3.117 N/A HIS 291.A ND1 ASP 289.A O no hydrogen 2.934 N/A HIS 291.A NE2 ARG 11.A O no hydrogen 2.792 N/A ASP 294.A N HIS 291.A O no hydrogen 2.968 N/A ILE 295.A N ASN 347.A OD1 no hydrogen 2.795 N/A TYR 296.A N THR 321.A O no hydrogen 3.161 N/A TYR 296.A OH TYR 310.A O no hydrogen 2.814 N/A TRP 297.A N ILE 348.A O no hydrogen 2.855 N/A THR 299.A N TYR 350.A O no hydrogen 3.091 N/A THR 299.A OG1 THR 351.A OG1 no hydrogen 2.651 N/A GLY 303.A N ASP 301.A OD1 no hydrogen 2.765 N/A TRP 304.A N ASP 301.A O no hydrogen 2.903 N/A HIS 308.A N TRP 304.A O no hydrogen 3.035 N/A SER 309.A N VAL 305.A O no hydrogen 2.767 N/A SER 309.A OG TYR 276.A OH no hydrogen 2.716 N/A SER 309.A OG GLY 414.A O no hydrogen 2.805 N/A TYR 310.A N THR 306.A O no hydrogen 2.765 N/A TYR 310.A OH THR 283.A OG1 no hydrogen 2.608 N/A LEU 311.A N THR 306.A O no hydrogen 3.067 N/A LEU 312.A N GLY 307.A O no hydrogen 3.391 N/A TYR 313.A N HIS 308.A O no hydrogen 2.984 N/A TYR 313.A OH HIS 154.A NE2 no hydrogen 2.730 N/A GLY 314.A N SER 309.A O no hydrogen 2.903 N/A LEU 316.A N LEU 312.A O no hydrogen 2.965 N/A ALA 317.A N TYR 313.A O no hydrogen 2.897 N/A CYS 318.A N GLY 314.A O no hydrogen 3.292 N/A CYS 318.A SG ALA 281.A O no hydrogen 3.429 N/A CYS 318.A SG GLY 314.A O no hydrogen 3.848 N/A GLY 319.A N LEU 316.A O no hydrogen 3.212 N/A ALA 320.A N PRO 315.A O no hydrogen 3.051 N/A THR 321.A OG1 THR 88.A O no hydrogen 2.709 N/A THR 322.A N ALA 89.A O no hydrogen 3.088 N/A THR 322.A OG1 LEU 311.A O no hydrogen 2.958 N/A LEU 323.A N TYR 296.A O no hydrogen 2.907 N/A MET 324.A N ILE 91.A O no hydrogen 2.791 N/A GLU 326.A N GLU 93.A O no hydrogen 2.786 N/A TRP 331.A N VAL 328.A O no hydrogen 3.198 N/A ALA 335.A N THR 333.A OG1 no hydrogen 3.155 N/A ARG 336.A N THR 333.A O no hydrogen 3.115 N/A ARG 336.A NH1 ASP 95.A O no hydrogen 2.859 N/A ARG 336.A NH1 TRP 331.A O no hydrogen 2.878 N/A ARG 336.A NH2 GLU 93.A OE2 no hydrogen 3.041 N/A ARG 336.A NH2 GLY 94.A O no hydrogen 2.771 N/A ARG 336.A NH2 ASP 95.A O no hydrogen 3.370 N/A MET 337.A N PRO 329.A O no hydrogen 3.069 N/A CYS 338.A SG ALA 366.A O no hydrogen 3.820 N/A GLN 339.A N ALA 335.A O no hydrogen 2.861 N/A VAL 340.A N ARG 336.A O no hydrogen 2.766 N/A VAL 341.A N MET 337.A O no hydrogen 2.933 N/A ASP 342.A N CYS 338.A O no hydrogen 3.016 N/A LYS 343.A N GLN 339.A O no hydrogen 2.826 N/A LYS 343.A NZ GLU 93.A OE1 no hydrogen 2.692 N/A LYS 343.A NZ GLU 93.A OE2 no hydrogen 3.512 N/A LYS 343.A NZ THR 97.A O no hydrogen 3.065 N/A LYS 343.A NZ THR 97.A OG1 no hydrogen 3.348 N/A HIS 344.A N VAL 340.A O no hydrogen 3.093 N/A HIS 344.A NE2 GLU 93.A OE1 no hydrogen 2.867 N/A GLN 345.A N ASP 342.A O no hydrogen 3.291 N/A VAL 346.A N VAL 341.A O no hydrogen 2.977 N/A ASN 347.A N ILE 295.A O no hydrogen 2.683 N/A ASN 347.A ND2 SER 374.A O no hydrogen 2.748 N/A ILE 348.A N ILE 295.A O no hydrogen 2.971 N/A LEU 349.A N ILE 377.A O no hydrogen 3.045 N/A TYR 350.A N TRP 297.A O no hydrogen 2.909 N/A TYR 350.A OH THR 407.A OG1 no hydrogen 2.652 N/A THR 351.A N GLY 379.A O no hydrogen 3.002 N/A THR 351.A OG1 THR 299.A OG1 no hydrogen 2.651 N/A ALA 352.A N THR 351.A OG1 no hydrogen 2.629 N/A THR 354.A N GLU 383.A OE2 no hydrogen 3.191 N/A THR 354.A OG1 GLU 383.A OE2 no hydrogen 2.604 N/A ILE 356.A N ALA 352.A O no hydrogen 2.869 N/A ARG 357.A N PRO 353.A O no hydrogen 2.706 N/A ARG 357.A NE ILE 549.A O no hydrogen 2.569 N/A ARG 357.A NH2 THR 354.A OG1 no hydrogen 3.176 N/A ARG 357.A NH2 GLU 383.A OE1 no hydrogen 2.713 N/A ARG 357.A NH2 ILE 549.A O no hydrogen 3.056 N/A ALA 358.A N THR 354.A O no hydrogen 2.978 N/A LEU 359.A N ALA 355.A O no hydrogen 2.899 N/A MET 360.A N ILE 356.A O no hydrogen 2.753 N/A ALA 361.A N ARG 357.A O no hydrogen 2.994 N/A GLU 362.A N LEU 359.A O no hydrogen 3.138 N/A GLY 363.A N MET 360.A O no hydrogen 3.024 N/A LYS 365.A N GLU 362.A O no hydrogen 3.109 N/A ALA 366.A N GLY 363.A O no hydrogen 3.010 N/A ILE 367.A N ASP 364.A O no hydrogen 2.902 N/A GLU 368.A N ASP 364.A O no hydrogen 2.811 N/A THR 370.A N ILE 367.A O no hydrogen 3.024 N/A THR 370.A OG1 ILE 367.A O no hydrogen 2.779 N/A ASP 371.A N ASP 342.A OD2 no hydrogen 2.697 N/A ARG 372.A N ASP 342.A OD1 no hydrogen 2.759 N/A ARG 372.A NE THR 370.A OG1 no hydrogen 2.905 N/A ARG 372.A NH1 LYS 396.A O no hydrogen 2.758 N/A ARG 372.A NH2 THR 370.A O no hydrogen 3.221 N/A SER 373.A N ASP 371.A OD1 no hydrogen 2.838 N/A SER 373.A OG ASP 371.A OD1 no hydrogen 2.583 N/A SER 374.A OG VAL 346.A O no hydrogen 2.664 N/A LEU 375.A N ARG 372.A O no hydrogen 3.212 N/A ARG 376.A N ASN 347.A O no hydrogen 2.735 N/A ARG 376.A NH2 ASP 294.A OD1 no hydrogen 2.917 N/A ILE 377.A N ASN 347.A O no hydrogen 3.202 N/A LEU 378.A N PRO 403.A O no hydrogen 2.946 N/A GLY 379.A N LEU 349.A O no hydrogen 2.725 N/A SER 380.A N VAL 405.A O no hydrogen 2.705 N/A VAL 381.A N THR 351.A O no hydrogen 2.899 N/A TRP 390.A N ASN 386.A O no hydrogen 2.937 N/A GLU 391.A N PRO 387.A O no hydrogen 2.613 N/A TRP 392.A N GLU 388.A O no hydrogen 3.002 N/A TYR 393.A N ALA 389.A O no hydrogen 3.006 N/A TYR 393.A OH GLY 379.A O no hydrogen 2.757 N/A TRP 394.A N TRP 390.A O no hydrogen 2.815 N/A LYS 395.A N GLU 391.A O no hydrogen 2.976 N/A LYS 396.A N TRP 392.A O no hydrogen 2.746 N/A LYS 396.A NZ ASP 364.A OD1 no hydrogen 3.211 N/A ILE 397.A N TYR 393.A O no hydrogen 3.060 N/A GLY 398.A N TYR 393.A O no hydrogen 3.236 N/A GLU 400.A N TRP 394.A O no hydrogen 3.227 N/A LYS 401.A N GLY 398.A O no hydrogen 2.646 N/A CYS 402.A SG LEU 375.A O no hydrogen 3.345 N/A CYS 402.A SG GLY 398.A O no hydrogen 3.653 N/A VAL 405.A N LEU 378.A O no hydrogen 2.709 N/A THR 407.A N SER 380.A O no hydrogen 2.936 N/A THR 407.A OG1 TYR 350.A OH no hydrogen 2.652 N/A THR 407.A OG1 SER 380.A O no hydrogen 3.359 N/A TRP 408.A N ILE 418.A O no hydrogen 2.796 N/A TRP 408.A NE1 ASP 495.A OD2 no hydrogen 3.118 N/A GLN 410.A N THR 413.A OG1 no hydrogen 3.223 N/A GLN 410.A NE2 SER 493.A O no hydrogen 2.556 N/A GLU 412.A N GLU 412.A OE1 no hydrogen 2.602 N/A THR 413.A N GLN 410.A O no hydrogen 2.793 N/A THR 413.A OG1 GLN 410.A O no hydrogen 3.114 N/A THR 413.A OG1 GLY 415.A O no hydrogen 2.830 N/A GLY 414.A N THR 411.A O no hydrogen 3.427 N/A GLY 415.A N THR 413.A O no hydrogen 2.630 N/A PHE 416.A N TYR 310.A OH no hydrogen 2.994 N/A MET 417.A N TRP 408.A O no hydrogen 2.880 N/A ILE 418.A N TRP 408.A O no hydrogen 3.123 N/A THR 419.A N ARG 434.A O no hydrogen 2.870 N/A THR 419.A OG1 PRO 420.A O no hydrogen 3.099 N/A ALA 424.A N LEU 421.A O no hydrogen 3.186 N/A ILE 425.A N LEU 421.A O no hydrogen 3.041 N/A LEU 427.A N HIS 2.A O no hydrogen 3.172 N/A LYS 428.A NZ ASP 500.A OD2 no hydrogen 3.149 N/A LYS 428.A NZ ASP 502.A OD2 no hydrogen 2.952 N/A SER 431.A N LYS 428.A O no hydrogen 3.072 N/A SER 431.A OG TYR 505.A O no hydrogen 2.790 N/A THR 433.A N SER 431.A OG no hydrogen 2.957 N/A THR 433.A OG1 ALA 432.A O no hydrogen 2.584 N/A ARG 434.A NH1 ASP 502.A O no hydrogen 3.021 N/A ARG 434.A NH2 ASP 502.A O no hydrogen 2.701 N/A PHE 436.A N MET 417.A O no hydrogen 2.833 N/A GLY 438.A N SER 26.A OG no hydrogen 3.075 N/A VAL 439.A N PHE 436.A O no hydrogen 3.037 N/A ALA 442.A N VAL 460.A O no hydrogen 2.865 N/A VAL 444.A N ASN 458.A O no hydrogen 3.075 N/A ASP 445.A N HIS 449.A O no hydrogen 3.118 N/A GLU 447.A N ASP 445.A OD1 no hydrogen 2.889 N/A GLY 448.A N ASP 445.A O no hydrogen 2.988 N/A HIS 449.A N ASP 445.A OD1 no hydrogen 2.904 N/A HIS 449.A ND1 ASP 445.A OD2 no hydrogen 2.928 N/A GLN 451.A N LEU 443.A O no hydrogen 2.815 N/A THR 455.A N ARG 499.A O no hydrogen 2.894 N/A GLY 457.A N ALA 497.A O no hydrogen 3.076 N/A ASN 458.A N VAL 444.A O no hydrogen 2.787 N/A ASN 458.A ND2 VAL 444.A O no hydrogen 3.400 N/A ASN 458.A ND2 ASN 446.A OD1 no hydrogen 2.820 N/A LEU 459.A N ASP 495.A O no hydrogen 2.935 N/A VAL 460.A N ALA 442.A O no hydrogen 2.844 N/A ILE 461.A N TYR 491.A O no hydrogen 2.806 N/A THR 462.A N GLN 440.A O no hydrogen 2.828 N/A SER 464.A N ASP 463.A OD1 no hydrogen 2.755 N/A SER 464.A OG TRP 465.A O no hydrogen 3.523 N/A SER 464.A OG GLN 468.A OE1 no hydrogen 2.665 N/A TRP 465.A NE1 THR 413.A O no hydrogen 2.934 N/A GLN 468.A N TRP 465.A O no hydrogen 3.000 N/A ALA 469.A N GLU 412.A O no hydrogen 3.007 N/A ARG 470.A N LEU 270.A O no hydrogen 2.965 N/A ARG 470.A NE GLU 251.A OE1 no hydrogen 2.735 N/A ARG 470.A NE GLU 251.A OE2 no hydrogen 3.293 N/A ARG 470.A NH1 PRO 466.A O no hydrogen 3.073 N/A ARG 470.A NH1 GLN 468.A O no hydrogen 2.819 N/A ARG 470.A NH2 GLU 251.A OE1 no hydrogen 3.386 N/A ARG 470.A NH2 GLU 251.A OE2 no hydrogen 2.704 N/A THR 471.A OG1 LEU 472.A O no hydrogen 3.030 N/A PHE 473.A N GLY 268.A O no hydrogen 2.668 N/A ASP 475.A N LEU 472.A O no hydrogen 2.915 N/A ARG 478.A N ASP 475.A OD1 no hydrogen 3.260 N/A PHE 479.A N ASP 475.A O no hydrogen 3.179 N/A GLU 480.A N HIS 476.A O no hydrogen 2.975 N/A GLN 481.A N GLU 477.A O no hydrogen 3.204 N/A THR 482.A N ARG 478.A O no hydrogen 2.721 N/A THR 482.A OG1 ARG 478.A O no hydrogen 2.958 N/A TYR 483.A N PHE 479.A O no hydrogen 3.313 N/A TYR 483.A OH GLU 412.A OE2 no hydrogen 2.610 N/A PHE 484.A N GLU 480.A O no hydrogen 2.654 N/A SER 485.A OG GLN 481.A O no hydrogen 2.459 N/A MET 490.A N PHE 487.A O no hydrogen 3.101 N/A TYR 491.A N ILE 461.A O no hydrogen 2.917 N/A TYR 491.A OH GLN 410.A OE1 no hydrogen 2.718 N/A PHE 492.A N TYR 483.A O no hydrogen 3.021 N/A SER 493.A N LEU 459.A O no hydrogen 3.233 N/A SER 493.A OG LEU 459.A O no hydrogen 2.637 N/A ASP 495.A N SER 493.A OG no hydrogen 2.911 N/A GLY 496.A N GLY 509.A O no hydrogen 2.756 N/A ALA 497.A N GLY 457.A O no hydrogen 2.905 N/A ARG 498.A N TRP 506.A O no hydrogen 2.694 N/A ARG 499.A N THR 455.A O no hydrogen 2.882 N/A ARG 499.A NE GLY 453.A O no hydrogen 3.111 N/A ARG 499.A NH1 TYR 505.A OH no hydrogen 3.252 N/A ARG 499.A NH2 GLN 451.A O no hydrogen 2.933 N/A ARG 499.A NH2 GLY 453.A O no hydrogen 2.553 N/A ASP 500.A N TYR 504.A O no hydrogen 3.018 N/A GLU 501.A N GLU 501.A OE2 no hydrogen 2.753 N/A GLY 503.A N ASP 500.A O no hydrogen 2.878 N/A TYR 504.A N ASP 500.A OD1 no hydrogen 2.948 N/A TYR 504.A OH GLU 426.A O no hydrogen 2.682 N/A TYR 505.A N THR 433.A O no hydrogen 2.961 N/A TRP 506.A N ARG 498.A O no hydrogen 2.644 N/A TRP 506.A NE1 ASP 500.A OD2 no hydrogen 2.977 N/A THR 508.A N GLY 496.A O no hydrogen 2.955 N/A ARG 510.A NE ASP 512.A OD2 no hydrogen 3.158 N/A ARG 510.A NH2 ASP 512.A OD1 no hydrogen 2.820 N/A ARG 510.A NH2 ASP 512.A OD2 no hydrogen 3.294 N/A VAL 511.A N GLY 494.A O no hydrogen 2.655 N/A ASP 513.A N SER 262.A OG no hydrogen 3.205 N/A VAL 514.A N ASP 512.A O no hydrogen 2.760 N/A LEU 515.A N LEU 522.A O no hydrogen 2.711 N/A ASN 516.A N GLN 552.A OE1 no hydrogen 2.851 N/A VAL 517.A N HIS 520.A O no hydrogen 2.784 N/A SER 518.A N LYS 550.A O no hydrogen 2.847 N/A HIS 520.A N VAL 517.A O no hydrogen 2.765 N/A ARG 521.A NE SER 260.A O no hydrogen 2.671 N/A ARG 521.A NH1 GLU 412.A OE1 no hydrogen 2.819 N/A ARG 521.A NH2 GLU 412.A OE2 no hydrogen 2.470 N/A LEU 522.A N LEU 515.A O no hydrogen 2.902 N/A GLY 523.A N GLU 526.A OE2 no hydrogen 3.281 N/A THR 524.A N ASP 513.A O no hydrogen 3.078 N/A THR 524.A OG1 ASP 513.A O no hydrogen 3.124 N/A GLU 526.A N GLY 523.A O no hydrogen 3.283 N/A ILE 527.A N THR 524.A O no hydrogen 3.159 N/A GLU 528.A N THR 524.A O no hydrogen 3.128 N/A SER 529.A N ALA 525.A O no hydrogen 3.069 N/A SER 529.A OG ALA 525.A O no hydrogen 3.145 N/A ALA 530.A N GLU 526.A O no hydrogen 3.179 N/A LEU 531.A N ILE 527.A O no hydrogen 2.918 N/A VAL 532.A N GLU 528.A O no hydrogen 2.772 N/A ALA 533.A N SER 529.A O no hydrogen 2.941 N/A HIS 534.A N LEU 531.A O no hydrogen 2.968 N/A HIS 534.A NE2 GLU 573.A OE2 no hydrogen 2.945 N/A LYS 536.A N HIS 534.A ND1 no hydrogen 3.059 N/A ILE 537.A N HIS 534.A O no hydrogen 2.985 N/A ALA 538.A N THR 559.A O no hydrogen 2.726 N/A GLU 539.A N THR 559.A O no hydrogen 3.189 N/A ALA 541.A N TYR 557.A O no hydrogen 2.980 N/A VAL 542.A N GLU 528.A OE2 no hydrogen 2.767 N/A VAL 543.A N TYR 555.A O no hydrogen 3.077 N/A ILE 545.A N ALA 553.A O no hydrogen 3.103 N/A HIS 547.A N GLY 551.A O no hydrogen 2.910 N/A LYS 550.A NZ ASP 589.A OD1 no hydrogen 2.516 N/A LYS 550.A NZ ASP 589.A OD2 no hydrogen 3.527 N/A GLY 551.A N HIS 547.A O no hydrogen 2.914 N/A ALA 553.A N ILE 545.A O no hydrogen 2.946 N/A ILE 554.A N ASP 589.A OD2 no hydrogen 3.255 N/A TYR 555.A N VAL 543.A O no hydrogen 3.065 N/A TYR 555.A OH HIS 592.A ND1 no hydrogen 2.662 N/A ALA 556.A N VAL 590.A O no hydrogen 2.850 N/A TYR 557.A N ALA 541.A O no hydrogen 2.826 N/A TYR 557.A OH LEU 610.A O no hydrogen 2.761 N/A VAL 558.A N HIS 592.A O no hydrogen 2.885 N/A THR 559.A N GLU 539.A O no hydrogen 2.793 N/A THR 559.A OG1 THR 594.A O no hydrogen 2.914 N/A ASN 561.A N LYS 536.A O no hydrogen 2.914 N/A ASN 561.A ND2 ILE 537.A O no hydrogen 3.540 N/A GLU 564.A N ASN 561.A O no hydrogen 3.202 N/A LEU 570.A N SER 567.A OG no hydrogen 3.195 N/A TYR 571.A N SER 567.A O no hydrogen 3.257 N/A ALA 572.A N PRO 568.A O no hydrogen 3.461 N/A GLU 573.A N GLU 569.A O no hydrogen 2.995 N/A VAL 574.A N LEU 570.A O no hydrogen 2.869 N/A ARG 575.A N TYR 571.A O no hydrogen 3.087 N/A ARG 575.A NH1 PRO 588.A O no hydrogen 3.434 N/A ASN 576.A N ALA 572.A O no hydrogen 2.937 N/A TRP 577.A N GLU 573.A O no hydrogen 2.871 N/A TRP 577.A NE1 ALA 530.A O no hydrogen 2.731 N/A VAL 578.A N VAL 574.A O no hydrogen 3.041 N/A ARG 579.A N ARG 575.A O no hydrogen 3.068 N/A LYS 580.A N ASN 576.A O no hydrogen 3.061 N/A LYS 580.A N TRP 577.A O no hydrogen 3.113 N/A GLU 581.A N TRP 577.A O no hydrogen 2.891 N/A ILE 582.A N VAL 578.A O no hydrogen 2.953 N/A ALA 586.A N GLY 583.A O no hydrogen 2.896 N/A THR 587.A N PRO 584.A O no hydrogen 3.086 N/A THR 587.A OG1 PRO 584.A O no hydrogen 3.285 N/A ASP 589.A N ILE 554.A O no hydrogen 2.655 N/A VAL 590.A N ILE 554.A O no hydrogen 3.252 N/A LEU 591.A N TYR 571.A OH no hydrogen 2.948 N/A HIS 592.A N ALA 556.A O no hydrogen 2.668 N/A HIS 592.A ND1 TYR 555.A OH no hydrogen 2.662 N/A HIS 592.A NE2 GLU 634.A OE1 no hydrogen 2.829 N/A THR 594.A N VAL 558.A O no hydrogen 2.725 N/A THR 594.A OG1 GLU 634.A OE1 no hydrogen 2.748 N/A THR 594.A OG1 GLU 634.A OE2 no hydrogen 3.360 N/A SER 596.A N THR 594.A OG1 no hydrogen 3.186 N/A LYS 599.A NZ GLU 539.A OE2 no hydrogen 3.117 N/A THR 600.A N LYS 604.A O no hydrogen 3.037 N/A THR 600.A OG1 LYS 604.A O no hydrogen 2.927 N/A MET 606.A N PRO 598.A O no hydrogen 2.842 N/A ARG 607.A NH1 GLU 528.A OE2 no hydrogen 3.342 N/A ARG 607.A NH1 VAL 542.A O no hydrogen 3.284 N/A ARG 607.A NH2 GLU 528.A OE1 no hydrogen 3.090 N/A ARG 607.A NH2 GLU 528.A OE2 no hydrogen 2.642 N/A ARG 611.A N ARG 607.A O no hydrogen 2.960 N/A LYS 612.A N ARG 608.A O no hydrogen 3.156 N/A ILE 613.A N ILE 609.A O no hydrogen 3.156 N/A ALA 614.A N LEU 610.A O no hydrogen 3.282 N/A ALA 615.A N ARG 611.A O no hydrogen 2.999 N/A GLY 616.A N ILE 613.A O no hydrogen 2.765 N/A ASP 617.A N LYS 612.A O no hydrogen 2.992 N/A VAL 628.A N PRO 625.A O no hydrogen 3.231 N/A LEU 631.A N VAL 627.A O no hydrogen 2.838 N/A LEU 632.A N VAL 628.A O no hydrogen 3.237 N/A LEU 632.A N GLU 629.A O no hydrogen 3.222 N/A GLU 633.A N GLU 629.A O no hydrogen 3.137 N/A GLU 634.A N LYS 630.A O no hydrogen 3.015 N/A GLN 636.A N GLU 633.A O no hydrogen 2.711 N/A ALA 637.A N GLU 634.A O no hydrogen 3.417 N/A