Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k7w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG GLU 11.A OE2 no hydrogen 3.245 N/A ALA 6.A N LEU 2.A O no hydrogen 2.677 N/A VAL 7.A N PRO 4.A O no hydrogen 3.200 N/A LEU 8.A N ILE 5.A O no hydrogen 2.740 N/A ASP 10.A N GLN 18.A O no hydrogen 3.384 N/A LEU 12.A N ASP 10.A OD1 no hydrogen 3.137 N/A ARG 13.A NH1 GLU 15.A OE2 no hydrogen 3.449 N/A ARG 13.A NH1 GLN 18.A OE1 no hydrogen 3.266 N/A ASN 14.A ND2 ARG 13.A O no hydrogen 2.732 N/A ARG 20.A N LEU 8.A O no hydrogen 2.884 N/A ARG 20.A NE ILE 9.A O no hydrogen 3.494 N/A SER 23.A N ARG 20.A O no hydrogen 2.936 N/A ILE 24.A N ARG 20.A O no hydrogen 3.098 N/A ILE 24.A N LEU 21.A O no hydrogen 3.080 N/A LYS 26.A N SER 23.A O no hydrogen 2.807 N/A LYS 26.A NZ ASN 22.A O no hydrogen 3.457 N/A THR 29.A OG1 LYS 26.A O no hydrogen 2.799 N/A ALA 31.A N LEU 27.A O no hydrogen 3.257 N/A LEU 32.A N THR 29.A O no hydrogen 2.859 N/A ALA 33.A N THR 29.A O no hydrogen 3.003 N/A ARG 38.A NE GLU 42.A OE2 no hydrogen 2.694 N/A ARG 38.A NH2 GLU 42.A OE1 no hydrogen 3.176 N/A THR 39.A N GLY 35.A O no hydrogen 2.593 N/A THR 39.A OG1 ALA 31.A O no hydrogen 3.032 N/A THR 39.A OG1 GLY 35.A O no hydrogen 2.724 N/A ARG 40.A N VAL 36.A O no hydrogen 3.118 N/A ARG 40.A NE VAL 72.A O no hydrogen 2.856 N/A SER 41.A N GLU 37.A O no hydrogen 2.994 N/A SER 41.A OG GLU 37.A O no hydrogen 3.011 N/A GLU 42.A N ARG 38.A O no hydrogen 2.917 N/A LEU 43.A N ARG 38.A O no hydrogen 3.216 N/A LEU 44.A N THR 39.A O no hydrogen 2.899 N/A PHE 46.A N GLU 42.A O no hydrogen 3.317 N/A LEU 47.A N LEU 43.A O no hydrogen 3.136 N/A THR 48.A N LEU 44.A O no hydrogen 2.838 N/A THR 48.A OG1 LEU 44.A O no hydrogen 3.290 N/A THR 50.A N ASP 49.A OD1 no hydrogen 2.685 N/A THR 50.A OG1 PHE 46.A O no hydrogen 3.199 N/A TYR 52.A OH GLU 15.A OE1 no hydrogen 3.344 N/A VAL 57.A N GLU 54.A O no hydrogen 2.960 N/A LEU 58.A N GLU 54.A O no hydrogen 3.056 N/A LEU 59.A N ASP 55.A O no hydrogen 3.043 N/A LEU 61.A N VAL 57.A O no hydrogen 2.850 N/A ALA 62.A N LEU 58.A O no hydrogen 2.990 N/A GLU 63.A N LEU 59.A O no hydrogen 2.963 N/A GLN 64.A N ALA 60.A O no hydrogen 2.711 N/A LEU 65.A N LEU 61.A O no hydrogen 3.098 N/A GLY 66.A N GLU 63.A O no hydrogen 3.126 N/A THR 67.A N GLN 64.A O no hydrogen 3.218 N/A THR 67.A OG1 GLN 64.A O no hydrogen 2.999 N/A PHE 68.A N LEU 65.A O no hydrogen 3.349 N/A LEU 71.A N PHE 68.A O no hydrogen 3.200 N/A VAL 72.A N THR 69.A O no hydrogen 3.283 N/A GLY 74.A N THR 69.A O no hydrogen 3.388 N/A TYR 77.A N GLY 74.A O no hydrogen 3.179 N/A VAL 78.A N PRO 75.A O no hydrogen 2.537 N/A CYS 80.A N TYR 77.A O no hydrogen 2.978 N/A CYS 80.A SG TYR 77.A O no hydrogen 2.912 N/A LEU 81.A N VAL 78.A O no hydrogen 3.200 N/A LEU 82.A N HIS 79.A O no hydrogen 2.862 N/A LEU 85.A N LEU 81.A O no hydrogen 3.388 N/A GLU 86.A N LEU 82.A O no hydrogen 2.674 N/A SER 87.A N PRO 83.A O no hydrogen 3.272 N/A LEU 88.A N PRO 84.A O no hydrogen 3.170 N/A ALA 89.A N LEU 85.A O no hydrogen 2.977 N/A ALA 89.A N GLU 86.A O no hydrogen 3.007 N/A THR 90.A N SER 87.A O no hydrogen 2.763 N/A VAL 96.A N GLU 93.A O no hydrogen 2.821 N/A ASP 98.A N THR 94.A O no hydrogen 2.842 N/A LYS 99.A N VAL 95.A O no hydrogen 3.312 N/A LYS 99.A NZ GLU 63.A OE2 no hydrogen 3.435 N/A LYS 99.A NZ GLU 102.A OE1 no hydrogen 2.941 N/A ALA 100.A N VAL 96.A O no hydrogen 2.932 N/A VAL 101.A N ARG 97.A O no hydrogen 3.089 N/A VAL 101.A N ASP 98.A O no hydrogen 2.839 N/A GLU 102.A N ASP 98.A O no hydrogen 2.836 N/A SER 103.A N LYS 99.A O no hydrogen 2.887 N/A SER 103.A OG ALA 62.A O no hydrogen 2.915 N/A LEU 104.A N ALA 100.A O no hydrogen 2.923 N/A ARG 105.A N VAL 101.A O no hydrogen 2.774 N/A ARG 105.A NH1 GLY 141.A O no hydrogen 3.017 N/A ALA 106.A N GLU 102.A O no hydrogen 2.980 N/A ILE 107.A N SER 103.A O no hydrogen 2.924 N/A SER 108.A N ARG 105.A O no hydrogen 3.379 N/A SER 108.A OG ARG 105.A O no hydrogen 2.763 N/A GLU 110.A N ILE 107.A O no hydrogen 3.021 N/A HIS 111.A N ILE 107.A O no hydrogen 3.169 N/A HIS 111.A ND1 ILE 107.A O no hydrogen 2.778 N/A SER 112.A OG ASP 115.A OD1 no hydrogen 3.163 N/A ASP 115.A N SER 112.A OG no hydrogen 3.045 N/A LEU 116.A N SER 112.A O no hydrogen 2.787 N/A LEU 116.A N PRO 113.A O no hydrogen 3.194 N/A GLU 117.A N PRO 113.A O no hydrogen 3.360 N/A ALA 118.A N SER 114.A O no hydrogen 2.927 N/A HIS 119.A N ASP 115.A O no hydrogen 2.945 N/A PHE 120.A N ASP 115.A O no hydrogen 3.446 N/A VAL 121.A N LEU 116.A O no hydrogen 2.938 N/A LEU 123.A N HIS 119.A O no hydrogen 3.380 N/A VAL 124.A N PHE 120.A O no hydrogen 2.913 N/A LYS 125.A N VAL 121.A O no hydrogen 2.792 N/A LYS 125.A NZ GLU 157.A OE1 no hydrogen 3.063 N/A LYS 125.A NZ GLU 157.A OE2 no hydrogen 2.748 N/A ARG 126.A N PRO 122.A O no hydrogen 3.086 N/A ARG 126.A NE GLU 86.A OE2 no hydrogen 3.163 N/A ARG 126.A NH2 GLU 86.A OE1 no hydrogen 2.332 N/A ARG 126.A NH2 GLU 86.A OE2 no hydrogen 3.022 N/A LEU 127.A N LEU 123.A O no hydrogen 3.020 N/A ALA 128.A N VAL 124.A O no hydrogen 2.656 N/A GLY 129.A N LYS 125.A O no hydrogen 2.520 N/A GLY 130.A N LEU 127.A O no hydrogen 3.430 N/A THR 134.A OG1 THR 90.A O no hydrogen 3.351 N/A SER 135.A OG LEU 127.A O no hydrogen 3.202 N/A ARG 136.A N PHE 133.A O no hydrogen 2.639 N/A ARG 136.A NH1 GLY 130.A O no hydrogen 2.851 N/A ARG 136.A NH2 ASP 168.A OD2 no hydrogen 3.206 N/A THR 137.A N PHE 133.A O no hydrogen 2.831 N/A SER 138.A N THR 134.A O no hydrogen 3.021 N/A SER 138.A OG ALA 89.A O no hydrogen 3.160 N/A CYS 140.A N THR 137.A O no hydrogen 3.268 N/A CYS 140.A SG ARG 136.A O no hydrogen 3.834 N/A GLY 141.A N SER 138.A O no hydrogen 3.295 N/A SER 144.A OG GLU 183.A OE2 no hydrogen 2.703 N/A CYS 146.A SG LEU 142.A O no hydrogen 3.142 N/A CYS 146.A SG PHE 143.A O no hydrogen 3.818 N/A TYR 147.A N PHE 143.A O no hydrogen 3.220 N/A TYR 147.A OH GLU 189.A OE1 no hydrogen 2.854 N/A ARG 149.A NH1 SER 108.A O no hydrogen 3.213 N/A ARG 149.A NH1 HIS 111.A O no hydrogen 3.311 N/A ARG 149.A NH2 HIS 111.A O no hydrogen 2.709 N/A VAL 150.A N TYR 147.A O no hydrogen 3.418 N/A SER 151.A N GLU 117.A OE2 no hydrogen 3.302 N/A VAL 154.A N SER 151.A OG no hydrogen 3.356 N/A LYS 155.A N SER 151.A O no hydrogen 2.716 N/A LYS 155.A NZ PRO 148.A O no hydrogen 3.495 N/A LYS 155.A NZ VAL 150.A O no hydrogen 2.831 N/A ALA 156.A N SER 152.A O no hydrogen 3.094 N/A GLU 157.A N ALA 153.A O no hydrogen 3.330 N/A LEU 158.A N VAL 154.A O no hydrogen 2.811 N/A ARG 159.A N LYS 155.A O no hydrogen 2.927 N/A ARG 159.A NE GLU 196.A OE2 no hydrogen 2.990 N/A GLN 160.A N ALA 156.A O no hydrogen 3.094 N/A GLN 160.A NE2 ASN 164.A OD1 no hydrogen 3.338 N/A TYR 161.A N GLU 157.A O no hydrogen 3.202 N/A PHE 162.A N LEU 158.A O no hydrogen 3.022 N/A ARG 163.A N ARG 159.A O no hydrogen 3.077 N/A ASN 164.A N GLN 160.A O no hydrogen 3.015 N/A LEU 165.A N TYR 161.A O no hydrogen 2.875 N/A CYS 166.A N PHE 162.A O no hydrogen 3.042 N/A CYS 166.A N ARG 163.A O no hydrogen 2.377 N/A CYS 166.A SG PHE 162.A O no hydrogen 3.436 N/A SER 167.A N ARG 163.A O no hydrogen 2.909 N/A THR 170.A N ASP 168.A OD2 no hydrogen 3.122 N/A THR 170.A OG1 ASP 168.A OD2 no hydrogen 2.669 N/A ARG 174.A N THR 170.A O no hydrogen 3.115 N/A ARG 174.A N PRO 171.A O no hydrogen 2.914 N/A ARG 174.A NE ASP 207.A OD1 no hydrogen 2.905 N/A ARG 174.A NH1 ASP 168.A O no hydrogen 2.852 N/A ARG 174.A NH2 ASP 207.A OD2 no hydrogen 2.962 N/A ARG 175.A N PRO 171.A O no hydrogen 2.777 N/A ALA 176.A N MET 172.A O no hydrogen 2.895 N/A ALA 177.A N VAL 173.A O no hydrogen 3.185 N/A ALA 178.A N ARG 174.A O no hydrogen 2.790 N/A SER 179.A N ARG 175.A O no hydrogen 2.960 N/A SER 179.A OG ARG 175.A O no hydrogen 3.417 N/A SER 179.A OG ALA 176.A O no hydrogen 3.198 N/A LYS 180.A N ALA 177.A O no hydrogen 3.213 N/A LYS 180.A NZ SER 179.A O no hydrogen 3.569 N/A LEU 181.A N ALA 178.A O no hydrogen 3.053 N/A PHE 184.A N LYS 180.A O no hydrogen 3.078 N/A ALA 185.A N LEU 181.A O no hydrogen 2.922 N/A LYS 186.A N GLY 182.A O no hydrogen 3.090 N/A LYS 186.A N GLU 183.A O no hydrogen 3.214 N/A VAL 187.A N PHE 184.A O no hydrogen 3.142 N/A LEU 188.A N ALA 185.A O no hydrogen 3.319 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.620 N/A ASN 192.A ND2 GLU 189.A OE1 no hydrogen 2.991 N/A VAL 193.A N GLU 189.A O no hydrogen 3.090 N/A VAL 193.A N LEU 190.A O no hydrogen 2.758 N/A LYS 194.A N LEU 190.A O no hydrogen 2.907 N/A LYS 194.A NZ ASP 231.A OD2 no hydrogen 2.963 N/A SER 195.A N ASP 191.A O no hydrogen 2.673 N/A SER 195.A OG ASP 191.A O no hydrogen 3.239 N/A SER 195.A OG GLU 196.A OE1 no hydrogen 2.718 N/A GLU 196.A N ASN 192.A O no hydrogen 2.800 N/A ILE 197.A N ASN 192.A O no hydrogen 2.943 N/A ILE 198.A N VAL 193.A O no hydrogen 2.937 N/A MET 200.A N GLU 196.A O no hydrogen 3.443 N/A PHE 201.A N ILE 197.A O no hydrogen 2.788 N/A SER 202.A N ILE 198.A O no hydrogen 2.793 N/A SER 202.A OG ILE 198.A O no hydrogen 3.082 N/A ASN 203.A N PRO 199.A O no hydrogen 3.065 N/A LEU 204.A N MET 200.A O no hydrogen 3.143 N/A ALA 205.A N PHE 201.A O no hydrogen 2.917 N/A SER 206.A N SER 202.A O no hydrogen 3.192 N/A SER 206.A N ASN 203.A O no hydrogen 3.204 N/A SER 206.A OG SER 202.A O no hydrogen 3.293 N/A SER 206.A OG ASN 203.A O no hydrogen 3.221 N/A GLN 209.A N ASP 207.A OD2 no hydrogen 2.942 N/A VAL 212.A N GLN 209.A O no hydrogen 2.921 N/A ARG 213.A N GLN 209.A O no hydrogen 3.142 N/A ARG 213.A NE ASP 246.A OD2 no hydrogen 2.826 N/A ARG 213.A NH1 ASP 207.A O no hydrogen 2.602 N/A ARG 213.A NH2 ASP 246.A OD1 no hydrogen 2.600 N/A ARG 213.A NH2 ASP 246.A OD2 no hydrogen 3.374 N/A LEU 214.A N ASP 210.A O no hydrogen 2.989 N/A LEU 215.A N VAL 212.A O no hydrogen 2.945 N/A ALA 216.A N ARG 213.A O no hydrogen 2.681 N/A CYS 220.A N ALA 216.A O no hydrogen 2.837 N/A VAL 221.A N VAL 217.A O no hydrogen 3.241 N/A ASN 222.A N GLU 218.A O no hydrogen 3.478 N/A ILE 223.A N ALA 219.A O no hydrogen 2.808 N/A ALA 224.A N CYS 220.A O no hydrogen 2.658 N/A GLN 225.A N VAL 221.A O no hydrogen 3.163 N/A GLN 225.A N ASN 222.A O no hydrogen 3.204 N/A LEU 226.A N ASN 222.A O no hydrogen 3.510 N/A GLU 230.A N GLU 230.A OE1 no hydrogen 3.163 N/A ASP 231.A N PRO 228.A O no hydrogen 2.932 N/A LEU 232.A N GLN 229.A O no hydrogen 3.406 N/A LEU 235.A N ASP 231.A O no hydrogen 2.985 N/A VAL 236.A N LEU 232.A O no hydrogen 2.927 N/A MET 237.A N LEU 232.A O no hydrogen 2.928 N/A LEU 240.A N VAL 236.A O no hydrogen 3.108 N/A ARG 241.A N MET 237.A O no hydrogen 2.820 N/A ARG 241.A NH1 GLU 233.A OE1 no hydrogen 3.032 N/A ARG 241.A NH1 GLU 233.A OE2 no hydrogen 3.184 N/A ARG 241.A NH1 ASP 274.A OD1 no hydrogen 2.928 N/A ARG 241.A NH2 GLU 233.A OE2 no hydrogen 2.834 N/A GLN 242.A N PRO 238.A O no hydrogen 2.962 N/A ALA 243.A N THR 239.A O no hydrogen 2.966 N/A ALA 244.A N LEU 240.A O no hydrogen 3.168 N/A GLU 245.A N GLN 242.A O no hydrogen 2.947 N/A ASP 246.A N ALA 243.A O no hydrogen 2.936 N/A SER 248.A N ASP 246.A OD1 no hydrogen 2.828 N/A SER 248.A OG ASP 210.A OD2 no hydrogen 2.673 N/A ARG 250.A N SER 248.A OG no hydrogen 3.196 N/A ARG 250.A NH1 ASP 210.A OD2 no hydrogen 3.003 N/A ARG 252.A N SER 248.A O no hydrogen 3.190 N/A ARG 252.A NE ASP 285.A OD2 no hydrogen 2.521 N/A ARG 252.A NH1 ASP 246.A O no hydrogen 2.803 N/A ARG 252.A NH1 LYS 247.A O no hydrogen 3.295 N/A ARG 252.A NH2 ASP 285.A OD1 no hydrogen 2.786 N/A ARG 252.A NH2 ASP 285.A OD2 no hydrogen 3.223 N/A TYR 253.A N TRP 249.A O no hydrogen 2.658 N/A MET 254.A N ARG 250.A O no hydrogen 2.986 N/A VAL 255.A N VAL 251.A O no hydrogen 3.105 N/A ALA 256.A N ARG 252.A O no hydrogen 2.895 N/A ASP 257.A N TYR 253.A O no hydrogen 2.743 N/A LYS 258.A N MET 254.A O no hydrogen 2.998 N/A LYS 258.A NZ GLU 218.A OE1 no hydrogen 2.802 N/A THR 260.A OG1 GLU 261.A OE1 no hydrogen 3.095 N/A LEU 262.A N LYS 258.A O no hydrogen 3.027 N/A GLN 263.A N PHE 259.A O no hydrogen 2.837 N/A GLN 263.A NE2 PHE 301.A O no hydrogen 3.246 N/A LYS 264.A N THR 260.A O no hydrogen 3.323 N/A ALA 265.A N GLU 261.A O no hydrogen 2.986 N/A VAL 266.A N LEU 262.A O no hydrogen 2.770 N/A GLY 267.A N GLN 263.A O no hydrogen 3.351 N/A THR 271.A N GLY 267.A O no hydrogen 3.025 N/A THR 271.A OG1 GLN 263.A O no hydrogen 3.325 N/A THR 271.A OG1 GLY 267.A O no hydrogen 2.893 N/A LYS 272.A N PRO 268.A O no hydrogen 2.881 N/A THR 273.A N GLU 269.A O no hydrogen 2.865 N/A THR 273.A OG1 GLU 269.A O no hydrogen 3.068 N/A ASP 274.A N ILE 270.A O no hydrogen 2.672 N/A LEU 275.A N ILE 270.A O no hydrogen 3.160 N/A VAL 276.A N THR 271.A O no hydrogen 2.872 N/A PHE 279.A N LEU 275.A O no hydrogen 2.830 N/A GLN 280.A N VAL 276.A O no hydrogen 3.120 N/A GLN 280.A NE2 GLN 317.A O no hydrogen 2.698 N/A ASN 281.A N PRO 277.A O no hydrogen 2.886 N/A LEU 282.A N ALA 278.A O no hydrogen 2.832 N/A MET 283.A N PHE 279.A O no hydrogen 3.072 N/A LYS 284.A N ASN 281.A O no hydrogen 2.896 N/A ASP 285.A N LEU 282.A O no hydrogen 3.128 N/A CYS 286.A SG ASP 285.A OD1 no hydrogen 3.679 N/A GLU 287.A N ASP 285.A OD1 no hydrogen 2.965 N/A VAL 290.A N GLU 287.A O no hydrogen 3.042 N/A ARG 291.A N GLU 287.A O no hydrogen 3.316 N/A ARG 291.A NE ASP 328.A OD2 no hydrogen 2.633 N/A ARG 291.A NH1 ASP 285.A O no hydrogen 3.204 N/A ARG 291.A NH2 ASP 328.A OD1 no hydrogen 2.840 N/A ARG 291.A NH2 ASP 328.A OD2 no hydrogen 3.234 N/A ALA 292.A N ALA 288.A O no hydrogen 3.060 N/A ALA 293.A N GLU 289.A O no hydrogen 3.143 N/A ALA 294.A N VAL 290.A O no hydrogen 2.923 N/A SER 295.A N ARG 291.A O no hydrogen 2.765 N/A SER 295.A OG ARG 291.A O no hydrogen 2.453 N/A HIS 296.A N ALA 292.A O no hydrogen 2.887 N/A LYS 297.A N ALA 294.A O no hydrogen 2.721 N/A LYS 297.A NZ ASP 257.A O no hydrogen 3.079 N/A VAL 298.A N SER 295.A O no hydrogen 3.200 N/A LYS 299.A NZ GLU 303.A OE2 no hydrogen 2.795 N/A LYS 299.A NZ GLY 343.A O no hydrogen 2.924 N/A PHE 301.A N LYS 297.A O no hydrogen 2.911 N/A CYS 302.A N VAL 298.A O no hydrogen 3.144 N/A CYS 302.A SG VAL 298.A O no hydrogen 3.446 N/A GLU 303.A N LYS 299.A O no hydrogen 3.182 N/A ASN 304.A N GLU 300.A O no hydrogen 3.247 N/A ASN 304.A N PHE 301.A O no hydrogen 2.874 N/A LEU 305.A N CYS 302.A O no hydrogen 3.423 N/A SER 306.A OG ASP 308.A OD1 no hydrogen 3.320 N/A CYS 309.A SG SER 306.A OG no hydrogen 3.634 N/A ARG 310.A N SER 306.A O no hydrogen 3.037 N/A ASN 312.A N CYS 309.A O no hydrogen 3.150 N/A VAL 313.A N CYS 309.A O no hydrogen 3.167 N/A ILE 314.A N ARG 310.A O no hydrogen 3.277 N/A MET 315.A N GLU 311.A O no hydrogen 3.458 N/A SER 316.A N ASN 312.A O no hydrogen 3.112 N/A GLN 317.A N VAL 313.A O no hydrogen 2.465 N/A GLN 317.A NE2 SER 316.A O no hydrogen 3.557 N/A ILE 318.A N VAL 313.A O no hydrogen 3.175 N/A LEU 319.A N ILE 314.A O no hydrogen 2.695 N/A CYS 321.A SG GLN 317.A O no hydrogen 3.863 N/A ILE 322.A N ILE 318.A O no hydrogen 3.113 N/A LYS 323.A N LEU 319.A O no hydrogen 3.209 N/A GLU 324.A N PRO 320.A O no hydrogen 3.390 N/A LEU 325.A N CYS 321.A O no hydrogen 3.252 N/A VAL 326.A N ILE 322.A O no hydrogen 3.043 N/A SER 327.A N GLU 324.A O no hydrogen 3.126 N/A ASP 328.A N LEU 325.A O no hydrogen 2.714 N/A LYS 334.A N ASN 330.A O no hydrogen 3.195 N/A LYS 334.A NZ ASP 367.A OD1 no hydrogen 2.844 N/A LYS 334.A NZ ASP 367.A OD2 no hydrogen 3.085 N/A LYS 334.A NZ GLU 368.A OE1 no hydrogen 3.540 N/A SER 335.A N GLN 331.A O no hydrogen 2.659 N/A ALA 336.A N HIS 332.A O no hydrogen 3.039 N/A LEU 337.A N VAL 333.A O no hydrogen 3.090 N/A ALA 338.A N LYS 334.A O no hydrogen 3.002 N/A SER 339.A N SER 335.A O no hydrogen 3.274 N/A SER 339.A N ALA 336.A O no hydrogen 3.262 N/A SER 339.A OG ALA 336.A O no hydrogen 2.863 N/A VAL 340.A N LEU 337.A O no hydrogen 2.855 N/A ILE 341.A N LEU 337.A O no hydrogen 2.792 N/A GLY 343.A N VAL 340.A O no hydrogen 2.816 N/A LEU 344.A N ILE 341.A O no hydrogen 3.097 N/A LEU 348.A N SER 345.A O no hydrogen 2.914 N/A GLY 349.A N SER 345.A O no hydrogen 3.076 N/A ASN 352.A ND2 LEU 348.A O no hydrogen 2.704 N/A THR 353.A N GLY 349.A O no hydrogen 2.786 N/A THR 353.A OG1 GLY 349.A O no hydrogen 3.014 N/A ILE 354.A N LYS 350.A O no hydrogen 3.287 N/A GLU 355.A N ASP 351.A O no hydrogen 3.240 N/A GLU 355.A N ASN 352.A O no hydrogen 3.062 N/A HIS 356.A N ASN 352.A O no hydrogen 2.722 N/A LEU 357.A N THR 353.A O no hydrogen 2.869 N/A LEU 358.A N THR 353.A O no hydrogen 3.057 N/A PHE 361.A N LEU 357.A O no hydrogen 2.711 N/A LEU 362.A N LEU 358.A O no hydrogen 3.033 N/A ALA 363.A N PRO 359.A O no hydrogen 2.950 N/A GLN 364.A N LEU 360.A O no hydrogen 3.156 N/A LEU 365.A N PHE 361.A O no hydrogen 3.088 N/A ASP 367.A N GLN 364.A O no hydrogen 3.103 N/A CYS 369.A SG GLN 331.A OE1 no hydrogen 3.671 N/A ARG 373.A NH1 GLU 368.A O no hydrogen 2.721 N/A LEU 374.A N PRO 370.A O no hydrogen 3.038 N/A ASN 375.A N GLU 371.A O no hydrogen 2.890 N/A ILE 376.A N VAL 372.A O no hydrogen 3.255 N/A ILE 377.A N ARG 373.A O no hydrogen 2.905 N/A SER 378.A N LEU 374.A O no hydrogen 2.765 N/A SER 378.A OG LEU 374.A O no hydrogen 2.745 N/A ASN 379.A ND2 ASN 375.A O no hydrogen 2.815 N/A LEU 380.A N GLN 425.A OE1 no hydrogen 3.168 N/A ASN 384.A N LEU 380.A O no hydrogen 2.899 N/A GLU 385.A N ASP 381.A O no hydrogen 3.288 N/A GLU 385.A N CYS 382.A O no hydrogen 2.984 N/A ILE 387.A N VAL 383.A O no hydrogen 3.158 N/A LEU 392.A N GLY 388.A O no hydrogen 2.833 N/A SER 393.A N ILE 389.A O no hydrogen 2.995 N/A GLN 394.A N ARG 390.A O no hydrogen 2.977 N/A SER 395.A N LEU 392.A O no hydrogen 2.728 N/A LEU 396.A N LEU 392.A O no hydrogen 2.703 N/A LEU 397.A N SER 393.A O no hydrogen 3.221 N/A ILE 400.A N LEU 396.A O no hydrogen 3.126 N/A VAL 401.A N LEU 397.A O no hydrogen 2.963 N/A GLU 402.A N PRO 398.A O no hydrogen 3.098 N/A LEU 403.A N ILE 400.A O no hydrogen 2.616 N/A ALA 404.A N ILE 400.A O no hydrogen 2.800 N/A ARG 412.A NE ASP 445.A OD2 no hydrogen 3.490 N/A ARG 412.A NH1 ASP 406.A O no hydrogen 3.345 N/A ARG 412.A NH2 ASP 445.A OD1 no hydrogen 2.597 N/A ARG 412.A NH2 ASP 445.A OD2 no hydrogen 3.426 N/A ALA 414.A N ARG 410.A O no hydrogen 2.876 N/A ILE 415.A N VAL 411.A O no hydrogen 3.399 N/A ILE 416.A N LEU 413.A O no hydrogen 2.971 N/A GLU 417.A N ALA 414.A O no hydrogen 3.263 N/A TYR 418.A N ILE 415.A O no hydrogen 3.455 N/A LEU 422.A N TYR 418.A O no hydrogen 2.787 N/A ALA 423.A N MET 419.A O no hydrogen 2.856 N/A GLY 424.A N PRO 420.A O no hydrogen 3.145 N/A GLN 425.A N LEU 421.A O no hydrogen 3.100 N/A GLN 425.A NE2 ILE 377.A O no hydrogen 2.359 N/A LEU 426.A N LEU 422.A O no hydrogen 2.801 N/A GLY 427.A N ALA 423.A O no hydrogen 2.913 N/A PHE 430.A N GLY 427.A O no hydrogen 3.285 N/A PHE 431.A N GLY 427.A O no hydrogen 3.175 N/A ASP 432.A N VAL 428.A O no hydrogen 3.087 N/A GLU 433.A N PHE 430.A O no hydrogen 3.202 N/A LYS 434.A N PHE 430.A O no hydrogen 2.876 N/A LEU 435.A N PHE 431.A O no hydrogen 3.143 N/A ASN 436.A N PHE 431.A O no hydrogen 2.760 N/A CYS 439.A N LEU 435.A O no hydrogen 3.372 N/A CYS 439.A SG LEU 435.A O no hydrogen 3.816 N/A MET 440.A N ASN 436.A O no hydrogen 3.288 N/A MET 440.A N SER 437.A O no hydrogen 3.166 N/A ALA 441.A N SER 437.A O no hydrogen 2.840 N/A TRP 442.A NE1 ALA 404.A O no hydrogen 3.093 N/A LEU 443.A N MET 440.A O no hydrogen 3.000 N/A VAL 444.A N ALA 441.A O no hydrogen 3.432 N/A ASP 445.A N TRP 442.A O no hydrogen 3.261 N/A VAL 447.A N ASP 445.A OD1 no hydrogen 3.233 N/A ILE 450.A N VAL 447.A O no hydrogen 3.112 N/A ARG 451.A N VAL 447.A O no hydrogen 3.317 N/A ARG 451.A NH1 ASP 445.A O no hydrogen 2.938 N/A ARG 451.A NH1 HIS 446.A O no hydrogen 3.118 N/A GLU 452.A N TYR 448.A O no hydrogen 2.841 N/A ALA 453.A N ALA 449.A O no hydrogen 2.853 N/A ALA 454.A N ILE 450.A O no hydrogen 2.923 N/A THR 455.A N ARG 451.A O no hydrogen 2.918 N/A THR 455.A N GLU 452.A O no hydrogen 3.075 N/A THR 455.A OG1 ARG 451.A O no hydrogen 2.508 N/A SER 456.A N GLU 452.A O no hydrogen 3.289 N/A SER 456.A OG ALA 453.A O no hydrogen 3.215 N/A ASN 457.A N ALA 453.A O no hydrogen 3.168 N/A LEU 458.A N THR 455.A O no hydrogen 3.098 N/A LYS 459.A NZ GLU 463.A OE2 no hydrogen 3.465 N/A LYS 460.A N SER 456.A O no hydrogen 3.446 N/A LEU 461.A N ASN 457.A O no hydrogen 2.956 N/A VAL 462.A N LEU 458.A O no hydrogen 2.747 N/A GLU 463.A N LYS 459.A O no hydrogen 3.066 N/A LYS 464.A N LYS 460.A O no hydrogen 3.348 N/A PHE 465.A N LEU 461.A O no hydrogen 2.902 N/A GLY 466.A N VAL 462.A O no hydrogen 2.584 N/A TRP 469.A NE1 ASP 432.A OD1 no hydrogen 2.547 N/A ALA 470.A N GLY 466.A O no hydrogen 3.201 N/A HIS 471.A N LYS 467.A O no hydrogen 3.245 N/A ALA 472.A N GLU 468.A O no hydrogen 3.135 N/A THR 473.A N TRP 469.A O no hydrogen 2.794 N/A THR 473.A OG1 ASP 432.A OD2 no hydrogen 3.450 N/A ILE 474.A N ALA 470.A O no hydrogen 2.964 N/A ILE 475.A N ALA 470.A O no hydrogen 2.850 N/A VAL 478.A N ILE 474.A O no hydrogen 3.118 N/A LEU 479.A N ILE 475.A O no hydrogen 2.996 N/A MET 481.A N VAL 478.A O no hydrogen 3.362 N/A SER 482.A N LEU 479.A O no hydrogen 3.136 N/A SER 482.A OG LEU 479.A O no hydrogen 2.891 N/A GLY 483.A N ALA 480.A O no hydrogen 3.334 N/A ASP 484.A N MET 481.A O no hydrogen 3.028 N/A ASN 486.A N ASP 484.A OD2 no hydrogen 3.168 N/A LEU 488.A N ASN 486.A OD1 no hydrogen 3.229 N/A HIS 489.A N ASN 486.A O no hydrogen 3.199 N/A HIS 489.A ND1 ASP 484.A OD2 no hydrogen 2.899 N/A ARG 490.A N ASN 486.A O no hydrogen 3.259 N/A ARG 490.A NE ASP 523.A OD1 no hydrogen 3.433 N/A ARG 490.A NE ASP 523.A OD2 no hydrogen 2.438 N/A ARG 490.A NH1 ASP 484.A O no hydrogen 2.963 N/A ARG 490.A NH1 PRO 485.A O no hydrogen 2.824 N/A ARG 490.A NH2 ASP 523.A OD1 no hydrogen 2.956 N/A MET 491.A N TYR 487.A O no hydrogen 2.978 N/A THR 492.A N LEU 488.A O no hydrogen 3.332 N/A THR 492.A OG1 LEU 488.A O no hydrogen 3.034 N/A THR 493.A N HIS 489.A O no hydrogen 3.156 N/A THR 493.A N ARG 490.A O no hydrogen 2.967 N/A THR 493.A OG1 VAL 478.A O no hydrogen 2.878 N/A LEU 494.A N ARG 490.A O no hydrogen 3.417 N/A PHE 495.A N MET 491.A O no hydrogen 2.891 N/A CYS 496.A N THR 492.A O no hydrogen 3.085 N/A CYS 496.A SG THR 492.A O no hydrogen 3.402 N/A ILE 497.A N THR 493.A O no hydrogen 3.213 N/A ILE 497.A N LEU 494.A O no hydrogen 2.977 N/A ASN 498.A N LEU 494.A O no hydrogen 3.016 N/A VAL 499.A N PHE 495.A O no hydrogen 3.475 N/A LEU 500.A N CYS 496.A O no hydrogen 3.116 N/A SER 501.A N ILE 497.A O no hydrogen 3.118 N/A SER 501.A OG ASN 498.A O no hydrogen 2.820 N/A CYS 504.A SG LEU 500.A O no hydrogen 3.148 N/A THR 509.A N GLY 505.A O no hydrogen 3.172 N/A THR 509.A OG1 GLY 505.A O no hydrogen 3.020 N/A THR 510.A N GLN 506.A O no hydrogen 3.096 N/A THR 510.A OG1 GLN 506.A O no hydrogen 2.695 N/A LYS 511.A N ASP 507.A O no hydrogen 2.895 N/A LYS 511.A NZ ASP 507.A OD1 no hydrogen 2.948 N/A LYS 511.A NZ ASP 507.A OD2 no hydrogen 2.651 N/A HIS 512.A N ILE 508.A O no hydrogen 2.767 N/A MET 513.A N THR 509.A O no hydrogen 3.284 N/A LEU 514.A N THR 509.A O no hydrogen 2.827 N/A VAL 517.A N MET 513.A O no hydrogen 3.094 N/A LEU 518.A N LEU 514.A O no hydrogen 2.912 N/A ARG 519.A N PRO 515.A O no hydrogen 2.939 N/A MET 520.A N THR 516.A O no hydrogen 3.442 N/A ALA 521.A N LEU 518.A O no hydrogen 3.268 N/A ASP 523.A N MET 520.A O no hydrogen 3.016 N/A VAL 525.A N ASP 523.A OD1 no hydrogen 2.917 N/A VAL 528.A N VAL 525.A O no hydrogen 3.282 N/A ARG 529.A N VAL 525.A O no hydrogen 3.369 N/A ARG 529.A NE ASP 562.A OD2 no hydrogen 2.569 N/A ARG 529.A NH1 ASP 523.A O no hydrogen 2.719 N/A ARG 529.A NH2 ASP 562.A OD1 no hydrogen 3.250 N/A PHE 530.A N ALA 526.A O no hydrogen 2.981 N/A ASN 531.A N ASN 527.A O no hydrogen 3.189 N/A ASN 531.A ND2 ASN 527.A O no hydrogen 3.311 N/A VAL 532.A N ARG 529.A O no hydrogen 2.934 N/A ALA 533.A N ARG 529.A O no hydrogen 3.363 N/A LYS 534.A N PHE 530.A O no hydrogen 3.132 N/A SER 535.A N ASN 531.A O no hydrogen 2.948 N/A SER 535.A OG ASN 498.A OD1 no hydrogen 2.525 N/A SER 535.A OG ASN 531.A O no hydrogen 3.279 N/A LEU 536.A N VAL 532.A O no hydrogen 2.987 N/A LEU 536.A N ALA 533.A O no hydrogen 2.952 N/A GLN 537.A N ALA 533.A O no hydrogen 2.921 N/A LYS 538.A N LYS 534.A O no hydrogen 2.902 N/A LYS 538.A NZ GLU 502.A OE2 no hydrogen 3.018 N/A ILE 539.A N SER 535.A O no hydrogen 2.992 N/A GLY 540.A N LEU 536.A O no hydrogen 2.724 N/A ILE 542.A N ILE 539.A O no hydrogen 3.159 N/A LEU 543.A N GLY 540.A O no hydrogen 3.046 N/A THR 547.A N ASP 544.A OD1 no hydrogen 3.259 N/A THR 547.A OG1 ASP 544.A OD1 no hydrogen 3.481 N/A THR 547.A OG1 ASP 544.A OD2 no hydrogen 3.309 N/A LEU 548.A N ASP 544.A O no hydrogen 3.233 N/A GLN 549.A N ASN 545.A O no hydrogen 3.034 N/A GLN 549.A N SER 546.A O no hydrogen 3.233 N/A SER 550.A N SER 546.A O no hydrogen 2.971 N/A SER 550.A OG SER 546.A O no hydrogen 3.268 N/A SER 550.A OG THR 547.A O no hydrogen 3.425 N/A GLU 551.A N THR 547.A O no hydrogen 2.886 N/A VAL 552.A N THR 547.A O no hydrogen 3.474 N/A LYS 553.A N LEU 548.A O no hydrogen 3.113 N/A LYS 553.A NZ GLN 549.A OE1 no hydrogen 3.392 N/A LEU 556.A N VAL 552.A O no hydrogen 3.085 N/A GLU 557.A N LYS 553.A O no hydrogen 3.131 N/A LYS 558.A N PRO 554.A O no hydrogen 2.976 N/A LEU 559.A N ILE 555.A O no hydrogen 2.983 N/A THR 560.A N LEU 556.A O no hydrogen 3.053 N/A THR 560.A OG1 GLU 557.A O no hydrogen 2.671 N/A GLN 561.A N LYS 558.A O no hydrogen 2.693 N/A GLN 561.A NE2 THR 560.A OG1 no hydrogen 3.409 N/A ASP 562.A N LEU 559.A O no hydrogen 3.113 N/A ASP 564.A N ASP 562.A OD1 no hydrogen 2.943 N/A VAL 567.A N ASP 564.A OD1 no hydrogen 2.727 N/A LYS 568.A N ASP 564.A O no hydrogen 3.250 N/A TYR 569.A N VAL 565.A O no hydrogen 3.032 N/A PHE 570.A N ASP 566.A O no hydrogen 3.014 N/A ALA 571.A N VAL 567.A O no hydrogen 2.838 N/A GLN 572.A N LYS 568.A O no hydrogen 3.041 N/A GLU 573.A N TYR 569.A O no hydrogen 3.119 N/A ALA 574.A N PHE 570.A O no hydrogen 3.084 N/A LEU 575.A N ALA 571.A O no hydrogen 3.148 N/A THR 576.A N GLN 572.A O no hydrogen 2.896 N/A THR 576.A OG1 GLN 572.A O no hydrogen 3.392 N/A VAL 577.A N GLU 573.A O no hydrogen 3.003 N/A LEU 578.A N ALA 574.A O no hydrogen 3.113 N/A LEU 580.A N LEU 575.A O no hydrogen 3.301 N/A