Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7aib_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 6.A N LEU 21.A O no hydrogen 2.789 N/A ALA 7.A N GLU 50.A O no hydrogen 3.024 N/A ALA 8.A N ALA 19.A O no hydrogen 3.024 N/A TRP 10.A N GLY 17.A O no hydrogen 3.075 N/A ASP 12.A N GLY 15.A O no hydrogen 3.285 N/A LYS 14.A N ASP 12.A OD1 no hydrogen 3.213 N/A GLY 15.A N ASP 12.A OD1 no hydrogen 3.115 N/A PHE 16.A N PRO 33.A O no hydrogen 3.371 N/A GLY 17.A N TRP 10.A O no hydrogen 2.816 N/A TYR 18.A N SER 31.A O no hydrogen 2.860 N/A TYR 18.A OH THR 46.A OG1 no hydrogen 2.618 N/A ALA 19.A N ALA 8.A O no hydrogen 3.148 N/A LEU 21.A N LEU 6.A O no hydrogen 2.674 N/A ASP 22.A N ARG 27.A O no hydrogen 3.432 N/A SER 24.A N ASP 22.A OD1 no hydrogen 3.491 N/A SER 25.A OG ASP 22.A OD2 no hydrogen 3.208 N/A GLY 26.A N ASP 22.A O no hydrogen 2.844 N/A ARG 29.A NH1 PHE 28.A O no hydrogen 3.190 N/A SER 31.A N TYR 18.A O no hydrogen 3.074 N/A ARG 36.A NE GLU 59.A OE2 no hydrogen 3.142 N/A ARG 36.A NH2 SER 61.A OG no hydrogen 2.742 N/A THR 38.A N ASP 35.A OD1 no hydrogen 3.030 N/A THR 38.A OG1 ASP 35.A OD1 no hydrogen 2.659 N/A THR 38.A OG1 ASP 35.A OD2 no hydrogen 3.101 N/A ALA 40.A N ARG 36.A O no hydrogen 2.830 N/A ALA 41.A N GLU 37.A O no hydrogen 2.901 N/A GLU 42.A N THR 38.A O no hydrogen 3.004 N/A LEU 43.A N MET 39.A O no hydrogen 3.191 N/A GLN 44.A N ALA 40.A O no hydrogen 3.028 N/A ARG 45.A N ALA 41.A O no hydrogen 2.817 N/A ARG 45.A NH2 GLU 42.A OE1 no hydrogen 3.220 N/A THR 46.A N GLU 42.A O no hydrogen 3.131 N/A THR 46.A OG1 TYR 18.A OH no hydrogen 2.618 N/A THR 46.A OG1 GLU 42.A O no hydrogen 2.805 N/A THR 46.A OG1 LEU 43.A O no hydrogen 3.416 N/A ASN 47.A N LEU 43.A O no hydrogen 2.832 N/A ASN 47.A ND2 GLN 2.A OE1 no hydrogen 3.616 N/A ALA 49.A N LEU 5.A O no hydrogen 2.611 N/A GLU 50.A N LEU 5.A O no hydrogen 3.425 N/A LEU 51.A N GLY 68.A O no hydrogen 3.043 N/A LEU 52.A N ALA 7.A O no hydrogen 3.091 N/A TYR 53.A N ARG 70.A O no hydrogen 3.057 N/A GLU 55.A N ARG 72.A O no hydrogen 2.784 N/A PHE 57.A N ALA 54.A O no hydrogen 2.848 N/A GLU 59.A N GLN 11.A OE1 no hydrogen 3.020 N/A MET 60.A N ALA 58.A O no hydrogen 2.993 N/A ILE 63.A N MET 60.A O no hydrogen 2.912 N/A GLU 64.A N MET 60.A O no hydrogen 3.194 N/A ARG 66.A N ILE 63.A O no hydrogen 3.366 N/A ARG 66.A NH1 ASN 47.A OD1 no hydrogen 3.294 N/A ARG 66.A NH2 ASN 47.A OD1 no hydrogen 2.853 N/A ARG 66.A NH2 PRO 48.A O no hydrogen 2.734 N/A ARG 67.A NE ASN 47.A OD1 no hydrogen 3.579 N/A ARG 70.A N LEU 51.A O no hydrogen 2.822 N/A ARG 70.A NH1 LEU 69.A O no hydrogen 3.071 N/A ARG 71.A NH1 TYR 53.A OH no hydrogen 2.808 N/A ARG 72.A N TYR 53.A O no hydrogen 2.817 N/A ARG 72.A NE GLU 76.A OE1 no hydrogen 3.282 N/A ARG 72.A NH2 GLU 76.A OE2 no hydrogen 3.366 N/A PHE 77.A N LEU 74.A O no hydrogen 2.778 N/A GLU 78.A N TRP 75.A O no hydrogen 3.099 N/A ALA 82.A N GLU 78.A O no hydrogen 3.240 N/A ARG 83.A N ILE 79.A O no hydrogen 2.814 N/A ARG 83.A NH1 GLU 101.A O no hydrogen 2.814 N/A ARG 83.A NH2 GLU 101.A O no hydrogen 3.420 N/A GLN 84.A N ASP 80.A O no hydrogen 3.180 N/A GLN 85.A N THR 81.A O no hydrogen 2.680 N/A LEU 86.A N ALA 82.A O no hydrogen 2.980 N/A ASN 87.A N ARG 83.A O no hydrogen 2.947 N/A LEU 88.A N GLN 84.A O no hydrogen 3.308 N/A GLN 89.A N GLN 85.A O no hydrogen 2.981 N/A PHE 90.A N LEU 86.A O no hydrogen 3.135 N/A THR 92.A OG1 ASN 87.A OD1 no hydrogen 3.310 N/A THR 92.A OG1 ASP 94.A O no hydrogen 2.825 N/A LEU 95.A N GLU 101.A OE1 no hydrogen 2.837 N/A GLY 99.A N VAL 96.A O no hydrogen 3.087 N/A LEU 107.A N ALA 103.A O no hydrogen 3.134 N/A SER 108.A N PRO 104.A O no hydrogen 3.109 N/A SER 108.A OG ARG 105.A O no hydrogen 2.351 N/A ALA 110.A N GLY 106.A O no hydrogen 3.065 N/A GLY 111.A N LEU 107.A O no hydrogen 2.582 N/A ALA 112.A N SER 108.A O no hydrogen 3.119 N/A LEU 113.A N ALA 109.A O no hydrogen 2.820 N/A LEU 114.A N ALA 110.A O no hydrogen 2.983 N/A GLN 115.A N GLY 111.A O no hydrogen 3.284 N/A GLN 115.A NE2 GLU 76.A O no hydrogen 2.862 N/A GLN 115.A NE2 GLY 111.A O no hydrogen 3.037 N/A TYR 116.A N ALA 112.A O no hydrogen 3.130 N/A TYR 116.A OH GLU 50.A OE2 no hydrogen 2.658 N/A ALA 117.A N LEU 113.A O no hydrogen 2.591 N/A LYS 118.A N LEU 114.A O no hydrogen 2.605 N/A LYS 118.A NZ GLN 85.A OE1 no hydrogen 3.029 N/A CYS 119.A N TYR 116.A O no hydrogen 3.105 N/A CYS 119.A SG GLN 115.A O no hydrogen 2.985 N/A THR 120.A N TYR 116.A O no hydrogen 2.535 N/A THR 120.A OG1 TYR 116.A O no hydrogen 2.718 N/A THR 120.A OG1 ALA 117.A O no hydrogen 2.963 N/A GLN 121.A N ALA 117.A O no hydrogen 2.937 N/A ARG 122.A NE CYS 119.A O no hydrogen 2.743 N/A ILE 128.A N LEU 125.A O no hydrogen 3.166 N/A SER 130.A OG ILE 131.A O no hydrogen 3.127 N/A GLU 134.A N LEU 30.A O no hydrogen 3.285 N/A ARG 135.A NH2 GLU 32.A OE1 no hydrogen 3.034 N/A ARG 135.A NH2 ASN 102.A O no hydrogen 3.457 N/A GLN 137.A N ARG 135.A O no hydrogen 2.669 N/A SER 139.A OG ILE 140.A O no hydrogen 3.452 N/A ILE 140.A N PRO 187.A O no hydrogen 3.352 N/A ILE 141.A N ASP 524.A O no hydrogen 3.022 N/A THR 146.A N ASP 143.A O no hydrogen 3.028 N/A THR 146.A OG1 ASP 143.A O no hydrogen 3.480 N/A THR 146.A OG1 ASP 143.A OD1 no hydrogen 2.697 N/A THR 146.A OG1 ILE 526.A O no hydrogen 3.239 N/A THR 146.A OG1 THR 528.A OG1 no hydrogen 2.668 N/A ARG 148.A N ALA 144.A O no hydrogen 2.967 N/A ARG 148.A NH2 GLU 537.A OE2 no hydrogen 3.168 N/A ASN 149.A N ALA 145.A O no hydrogen 3.226 N/A ASN 149.A N THR 146.A O no hydrogen 3.125 N/A LEU 150.A N THR 146.A O no hydrogen 2.686 N/A THR 153.A OG1 HIS 185.A NE2 no hydrogen 2.926 N/A ASN 155.A N GLY 159.A O no hydrogen 2.922 N/A ASN 155.A ND2 GLU 161.A O no hydrogen 2.754 N/A LEU 156.A N GLU 151.A OE2 no hydrogen 3.146 N/A GLY 158.A N ASN 155.A OD1 no hydrogen 2.847 N/A GLY 159.A N ASN 155.A OD1 no hydrogen 3.091 N/A THR 163.A N SER 166.A OG no hydrogen 2.944 N/A THR 163.A OG1 ALA 160.A O no hydrogen 3.367 N/A THR 163.A OG1 SER 166.A OG no hydrogen 3.025 N/A LEU 164.A N GLU 151.A O no hydrogen 2.992 N/A ALA 165.A N ILE 152.A O no hydrogen 2.768 N/A SER 166.A N THR 163.A OG1 no hydrogen 2.784 N/A SER 166.A OG THR 163.A O no hydrogen 2.683 N/A SER 166.A OG THR 163.A OG1 no hydrogen 3.025 N/A LEU 168.A N LEU 164.A O no hydrogen 3.022 N/A ASP 169.A N ALA 165.A O no hydrogen 2.363 N/A SER 170.A N LEU 168.A O no hydrogen 2.958 N/A SER 170.A OG ASN 430.A OD1 no hydrogen 2.494 N/A SER 170.A OG GLU 433.A OE1 no hydrogen 2.854 N/A THR 171.A OG1 ASP 169.A OD1 no hydrogen 2.546 N/A VAL 172.A N ASP 426.A OD1 no hydrogen 3.316 N/A THR 173.A N ASP 426.A OD2 no hydrogen 3.224 N/A THR 173.A OG1 GLY 219.A O no hydrogen 2.491 N/A GLY 176.A N THR 173.A O no hydrogen 3.165 N/A SER 177.A N THR 173.A O no hydrogen 3.313 N/A SER 177.A OG ASP 169.A OD2 no hydrogen 2.679 N/A ARG 178.A N PRO 174.A O no hydrogen 3.118 N/A MET 179.A N MET 175.A O no hydrogen 3.412 N/A LEU 180.A N GLY 176.A O no hydrogen 3.068 N/A LYS 181.A N SER 177.A O no hydrogen 3.194 N/A ARG 182.A N ARG 178.A O no hydrogen 2.832 N/A TRP 183.A N MET 179.A O no hydrogen 3.060 N/A LEU 184.A N LEU 180.A O no hydrogen 3.251 N/A HIS 185.A N LYS 181.A O no hydrogen 3.296 N/A HIS 185.A N ARG 182.A O no hydrogen 3.191 N/A HIS 185.A NE2 THR 153.A OG1 no hydrogen 2.926 N/A ARG 189.A N ASP 138.A OD2 no hydrogen 3.417 N/A ARG 189.A NH1 GLN 137.A O no hydrogen 3.496 N/A ARG 189.A NH2 GLN 137.A O no hydrogen 3.297 N/A ASP 190.A N ASP 138.A OD2 no hydrogen 3.213 N/A VAL 193.A N ASP 190.A O no hydrogen 2.581 N/A LEU 194.A N ASP 190.A O no hydrogen 3.136 N/A LEU 195.A N THR 191.A O no hydrogen 3.051 N/A GLU 196.A N ARG 192.A O no hydrogen 3.035 N/A ARG 197.A N VAL 193.A O no hydrogen 3.338 N/A ARG 197.A NH1 ILE 509.A O no hydrogen 3.210 N/A GLN 198.A N LEU 194.A O no hydrogen 3.145 N/A GLN 198.A NE2 PRO 443.A O no hydrogen 3.055 N/A GLN 199.A N LEU 195.A O no hydrogen 3.017 N/A THR 200.A N GLU 196.A O no hydrogen 3.270 N/A THR 200.A OG1 GLU 196.A O no hydrogen 2.650 N/A ILE 201.A N ARG 197.A O no hydrogen 2.774 N/A GLY 202.A N GLN 198.A O no hydrogen 3.190 N/A ALA 203.A N THR 200.A O no hydrogen 3.298 N/A LEU 204.A N THR 200.A O no hydrogen 3.258 N/A THR 208.A OG1 VAL 429.A O no hydrogen 2.696 N/A LEU 215.A N LEU 211.A O no hydrogen 3.201 N/A LEU 215.A N GLN 212.A O no hydrogen 3.211 N/A ARG 216.A N GLN 212.A O no hydrogen 3.232 N/A VAL 218.A N LEU 215.A O no hydrogen 3.296 N/A ARG 223.A N ASP 220.A OD1 no hydrogen 2.798 N/A LEU 225.A N LEU 221.A O no hydrogen 2.970 N/A ARG 227.A N ARG 223.A O no hydrogen 3.305 N/A ARG 227.A NE ASP 237.A OD2 no hydrogen 3.024 N/A ARG 227.A NH2 ASP 237.A OD1 no hydrogen 3.402 N/A ARG 227.A NH2 ASP 237.A OD2 no hydrogen 2.762 N/A LEU 228.A N ILE 224.A O no hydrogen 2.931 N/A ALA 229.A N LEU 225.A O no hydrogen 2.985 N/A LEU 230.A N ALA 226.A O no hydrogen 3.169 N/A ARG 231.A N LEU 228.A O no hydrogen 3.212 N/A ARG 231.A NH1 GLU 402.A O no hydrogen 3.227 N/A ARG 231.A NH1 GLU 402.A OE1 no hydrogen 3.306 N/A THR 232.A N ARG 227.A O no hydrogen 2.862 N/A THR 232.A OG1 ARG 227.A O no hydrogen 3.303 N/A ARG 234.A N ASP 237.A OD2 no hydrogen 3.166 N/A ARG 236.A NE PRO 288.A O no hydrogen 3.468 N/A ASP 237.A N ARG 234.A O no hydrogen 2.952 N/A LEU 238.A N ARG 234.A O no hydrogen 3.114 N/A ALA 239.A N PRO 235.A O no hydrogen 2.870 N/A ARG 240.A N ARG 236.A O no hydrogen 3.246 N/A ARG 240.A NH2 ASP 237.A OD1 no hydrogen 2.732 N/A MET 241.A N ASP 237.A O no hydrogen 3.086 N/A ARG 242.A N LEU 238.A O no hydrogen 2.961 N/A ARG 242.A NH1 LEU 280.A O no hydrogen 3.230 N/A ARG 242.A NH1 ILE 284.A O no hydrogen 2.960 N/A ARG 242.A NH1 ILE 285.A O no hydrogen 3.525 N/A ARG 242.A NH2 ILE 285.A O no hydrogen 2.772 N/A HIS 243.A N ALA 239.A O no hydrogen 2.945 N/A HIS 243.A NE2 GLN 217.A OE1 no hydrogen 2.895 N/A ALA 244.A N ARG 240.A O no hydrogen 2.906 N/A PHE 245.A N MET 241.A O no hydrogen 2.913 N/A GLN 246.A N ARG 242.A O no hydrogen 3.064 N/A GLN 246.A NE2 GLU 281.A OE2 no hydrogen 3.223 N/A GLN 247.A N ALA 244.A O no hydrogen 3.134 N/A GLN 247.A NE2 HIS 243.A O no hydrogen 3.141 N/A LEU 248.A N PHE 245.A O no hydrogen 3.361 N/A LEU 251.A N GLN 247.A O no hydrogen 2.906 N/A ARG 252.A N LEU 248.A O no hydrogen 2.993 N/A GLN 254.A N GLU 250.A O no hydrogen 3.240 N/A GLN 254.A NE2 GLY 210.A O no hydrogen 3.471 N/A GLN 254.A NE2 GLU 250.A OE2 no hydrogen 2.793 N/A LEU 255.A N LEU 251.A O no hydrogen 3.095 N/A THR 257.A OG1 GLN 254.A O no hydrogen 2.847 N/A GLN 264.A N SER 260.A O no hydrogen 2.950 N/A GLN 264.A NE2 GLU 256.A O no hydrogen 3.172 N/A GLN 264.A NE2 VAL 258.A O no hydrogen 2.967 N/A ALA 265.A N ALA 261.A O no hydrogen 2.825 N/A LEU 266.A N PRO 262.A O no hydrogen 2.927 N/A ARG 267.A N VAL 263.A O no hydrogen 2.775 N/A ARG 267.A NE GLN 264.A OE1 no hydrogen 3.179 N/A GLU 268.A N GLN 264.A O no hydrogen 3.239 N/A LYS 269.A N ALA 265.A O no hydrogen 2.949 N/A LYS 269.A NZ GLU 424.A OE1 no hydrogen 3.515 N/A MET 270.A N LEU 266.A O no hydrogen 2.822 N/A GLY 271.A N ARG 267.A O no hydrogen 3.357 N/A ARG 277.A N PHE 273.A O no hydrogen 2.887 N/A ASP 278.A N ALA 274.A O no hydrogen 3.032 N/A LEU 279.A N GLU 275.A O no hydrogen 3.209 N/A LEU 280.A N LEU 276.A O no hydrogen 3.325 N/A GLU 281.A N ARG 277.A O no hydrogen 2.963 N/A ARG 282.A N ASP 278.A O no hydrogen 3.018 N/A ALA 283.A N LEU 279.A O no hydrogen 2.827 N/A ILE 284.A N LEU 280.A O no hydrogen 2.992 N/A ILE 285.A N VAL 297.A O no hydrogen 2.800 N/A GLY 295.A N VAL 292.A O no hydrogen 2.872 N/A VAL 297.A N GLU 397.A OE2 no hydrogen 2.680 N/A ILE 298.A N GLU 397.A OE2 no hydrogen 2.970 N/A ALA 299.A N ALA 283.A O no hydrogen 2.497 N/A GLY 301.A N ASP 307.A OD2 no hydrogen 3.095 N/A LEU 306.A N ASN 303.A OD1 no hydrogen 2.949 N/A GLU 308.A N GLU 304.A O no hydrogen 3.131 N/A TRP 309.A N GLU 305.A O no hydrogen 3.145 N/A ARG 310.A N LEU 306.A O no hydrogen 3.026 N/A ARG 310.A NH2 GLU 397.A OE2 no hydrogen 3.427 N/A ALA 311.A N ASP 307.A O no hydrogen 2.905 N/A ASP 314.A N ARG 310.A O no hydrogen 2.918 N/A GLY 315.A N ALA 311.A O no hydrogen 3.157 N/A LEU 320.A N ALA 316.A O no hydrogen 3.206 N/A GLU 321.A N THR 317.A O no hydrogen 2.881 N/A ARG 322.A N ASP 318.A O no hydrogen 3.148 N/A LEU 323.A N TYR 319.A O no hydrogen 3.351 N/A GLU 324.A N LEU 320.A O no hydrogen 2.745 N/A VAL 325.A N GLU 321.A O no hydrogen 2.794 N/A ARG 326.A N ARG 322.A O no hydrogen 2.884 N/A ARG 326.A NH2 GLU 378.A OE2 no hydrogen 3.347 N/A GLU 327.A N LEU 323.A O no hydrogen 2.853 N/A ARG 328.A N GLU 324.A O no hydrogen 3.097 N/A ARG 328.A NH1 GLU 324.A OE2 no hydrogen 3.130 N/A ARG 328.A NH1 LEU 336.A O no hydrogen 3.090 N/A GLU 329.A N VAL 325.A O no hydrogen 2.919 N/A ARG 330.A N ARG 326.A O no hydrogen 2.855 N/A ARG 330.A NH2 GLU 327.A OE1 no hydrogen 2.704 N/A THR 331.A N GLU 327.A O no hydrogen 3.175 N/A THR 331.A OG1 GLU 327.A O no hydrogen 2.568 N/A GLY 332.A N ARG 328.A O no hydrogen 3.213 N/A LEU 333.A N THR 331.A OG1 no hydrogen 3.395 N/A THR 335.A OG1 SER 351.A OG no hydrogen 2.733 N/A THR 335.A OG1 GLN 354.A OE1 no hydrogen 2.762 N/A LYS 337.A N GLN 349.A O no hydrogen 2.995 N/A ASN 341.A N GLY 345.A O no hydrogen 2.824 N/A GLY 345.A N ASN 341.A O no hydrogen 2.662 N/A TYR 347.A N GLY 339.A O no hydrogen 3.089 N/A ILE 348.A N TYR 374.A O no hydrogen 3.135 N/A GLN 349.A N LYS 337.A O no hydrogen 3.060 N/A ILE 350.A N GLU 372.A O no hydrogen 3.482 N/A SER 351.A N THR 335.A OG1 no hydrogen 3.338 N/A SER 351.A OG THR 335.A OG1 no hydrogen 2.733 N/A ARG 352.A N ASN 370.A O no hydrogen 3.299 N/A ARG 352.A NH1 LEU 368.A O no hydrogen 2.764 N/A ARG 352.A NH1 ALA 371.A O no hydrogen 2.864 N/A GLN 354.A N SER 351.A O no hydrogen 2.873 N/A GLN 354.A NE2 ASP 334.A OD1 no hydrogen 3.559 N/A SER 355.A N ARG 352.A O no hydrogen 3.461 N/A SER 355.A OG ARG 352.A O no hydrogen 2.631 N/A LEU 357.A N GLN 354.A O no hydrogen 3.333 N/A TYR 362.A OH GLU 327.A OE1 no hydrogen 2.859 N/A MET 363.A N ILE 375.A O no hydrogen 3.004 N/A ARG 365.A N ARG 373.A O no hydrogen 3.455 N/A ARG 365.A NH1 TYR 346.A O no hydrogen 3.212 N/A ARG 365.A NH1 GLU 383.A OE1 no hydrogen 2.877 N/A GLN 366.A N ARG 373.A O no hydrogen 3.358 N/A THR 367.A OG1 GLU 372.A OE2 no hydrogen 2.766 N/A LEU 368.A N ALA 371.A O no hydrogen 3.152 N/A LYS 369.A NZ ASN 370.A OD1 no hydrogen 3.194 N/A GLU 372.A N ILE 350.A O no hydrogen 3.203 N/A ARG 373.A N GLN 366.A O no hydrogen 2.802 N/A ARG 373.A NE GLN 349.A OE1 no hydrogen 2.987 N/A ARG 373.A NH2 GLN 349.A OE1 no hydrogen 3.200 N/A TYR 374.A N ILE 348.A O no hydrogen 3.071 N/A TYR 374.A OH SER 355.A O no hydrogen 2.693 N/A ILE 375.A N MET 363.A O no hydrogen 2.708 N/A LYS 380.A N ILE 376.A O no hydrogen 2.831 N/A GLU 381.A N PRO 377.A O no hydrogen 2.645 N/A TYR 382.A N GLU 378.A O no hydrogen 2.988 N/A GLU 383.A N LEU 379.A O no hydrogen 2.387 N/A ASP 384.A N GLU 381.A O no hydrogen 3.102 N/A LYS 385.A N GLU 381.A O no hydrogen 3.486 N/A VAL 386.A N TYR 382.A O no hydrogen 3.362 N/A LEU 387.A N GLU 383.A O no hydrogen 3.234 N/A THR 388.A N ASP 384.A O no hydrogen 3.193 N/A THR 388.A OG1 ASP 384.A O no hydrogen 2.747 N/A SER 389.A N LYS 385.A O no hydrogen 3.354 N/A SER 389.A OG LYS 385.A O no hydrogen 2.569 N/A SER 389.A OG VAL 386.A O no hydrogen 2.667 N/A LYS 390.A N VAL 386.A O no hydrogen 2.876 N/A GLY 391.A N LEU 387.A O no hydrogen 3.453 N/A LYS 392.A N THR 388.A O no hydrogen 2.925 N/A ALA 393.A N SER 389.A O no hydrogen 2.898 N/A LEU 394.A N LYS 390.A O no hydrogen 2.851 N/A ALA 395.A N GLY 391.A O no hydrogen 2.645 N/A LEU 396.A N LYS 392.A O no hydrogen 2.807 N/A GLU 397.A N ALA 393.A O no hydrogen 3.055 N/A LYS 398.A N LEU 394.A O no hydrogen 3.110 N/A GLN 399.A N ALA 395.A O no hydrogen 3.155 N/A LEU 400.A N LEU 396.A O no hydrogen 2.872 N/A TYR 401.A N GLU 397.A O no hydrogen 3.090 N/A TYR 401.A OH ALA 233.A O no hydrogen 3.088 N/A GLU 402.A N LYS 398.A O no hydrogen 3.084 N/A GLU 403.A N GLN 399.A O no hydrogen 2.854 N/A LEU 404.A N LEU 400.A O no hydrogen 2.947 N/A PHE 405.A N GLU 402.A O no hydrogen 3.075 N/A ASP 406.A N GLU 403.A O no hydrogen 2.919 N/A LEU 407.A N GLU 403.A O no hydrogen 3.294 N/A LEU 408.A N LEU 404.A O no hydrogen 3.132 N/A LEU 409.A N PHE 405.A O no hydrogen 3.002 N/A HIS 411.A N LEU 408.A O no hydrogen 2.999 N/A LEU 412.A N LEU 409.A O no hydrogen 3.093 N/A LEU 415.A N HIS 411.A O no hydrogen 2.822 N/A GLN 416.A N LEU 412.A O no hydrogen 3.051 N/A GLN 417.A N GLU 413.A O no hydrogen 3.081 N/A SER 418.A N ALA 414.A O no hydrogen 3.009 N/A SER 418.A OG MET 270.A O no hydrogen 3.031 N/A ALA 419.A N LEU 415.A O no hydrogen 2.616 N/A SER 420.A N GLN 416.A O no hydrogen 2.790 N/A ALA 421.A N GLN 417.A O no hydrogen 2.870 N/A LEU 422.A N SER 418.A O no hydrogen 2.667 N/A ALA 423.A N ALA 419.A O no hydrogen 2.743 N/A GLU 424.A N SER 420.A O no hydrogen 2.755 N/A LEU 425.A N ALA 421.A O no hydrogen 2.774 N/A ASP 426.A N LEU 422.A O no hydrogen 3.007 N/A VAL 427.A N ALA 423.A O no hydrogen 3.190 N/A LEU 428.A N GLU 424.A O no hydrogen 2.880 N/A VAL 429.A N LEU 425.A O no hydrogen 2.707 N/A ASN 430.A N ASP 426.A O no hydrogen 2.736 N/A ASN 430.A ND2 LEU 168.A O no hydrogen 2.351 N/A LEU 431.A N VAL 427.A O no hydrogen 2.740 N/A ALA 432.A N LEU 428.A O no hydrogen 2.741 N/A GLU 433.A N VAL 429.A O no hydrogen 2.855 N/A ARG 434.A N ASN 430.A O no hydrogen 2.767 N/A ARG 434.A NH1 SER 170.A OG no hydrogen 3.241 N/A ARG 434.A NH1 GLU 433.A OE1 no hydrogen 3.209 N/A ALA 435.A N LEU 431.A O no hydrogen 2.804 N/A TYR 436.A N ALA 432.A O no hydrogen 3.143 N/A THR 437.A N GLU 433.A O no hydrogen 2.669 N/A THR 437.A OG1 GLU 433.A O no hydrogen 2.624 N/A THR 437.A OG1 GLU 433.A OE2 no hydrogen 2.690 N/A LEU 438.A N ARG 434.A O no hydrogen 2.607 N/A TYR 440.A N ALA 435.A O no hydrogen 2.951 N/A THR 441.A N VAL 513.A O no hydrogen 3.161 N/A THR 441.A OG1 GLN 516.A O no hydrogen 3.519 N/A SER 442.A OG GLN 198.A OE1 no hydrogen 3.175 N/A ILE 446.A N ILE 520.A O no hydrogen 2.758 N/A ARG 452.A N GLU 519.A O no hydrogen 2.878 N/A ILE 453.A N LEU 474.A O no hydrogen 2.893 N/A THR 454.A N LYS 517.A O no hydrogen 2.671 N/A THR 454.A OG1 LYS 517.A O no hydrogen 3.279 N/A GLY 456.A N ASN 472.A O no hydrogen 2.981 N/A ARG 457.A N PRO 514.A O no hydrogen 3.064 N/A ARG 457.A NE GLU 462.A OE1 no hydrogen 3.090 N/A ARG 457.A NH2 LEU 438.A O no hydrogen 2.758 N/A ARG 457.A NH2 ASN 439.A O no hydrogen 2.735 N/A VAL 460.A N HIS 458.A ND1 no hydrogen 3.344 N/A VAL 461.A N HIS 458.A ND1 no hydrogen 3.231 N/A GLU 462.A N HIS 458.A O no hydrogen 3.225 N/A GLN 463.A N VAL 460.A O no hydrogen 2.862 N/A VAL 464.A N VAL 460.A O no hydrogen 3.326 N/A LEU 465.A N VAL 461.A O no hydrogen 3.004 N/A ASN 472.A N GLY 456.A O no hydrogen 3.236 N/A ASN 472.A ND2 GLN 499.A OE1 no hydrogen 3.468 N/A LEU 474.A N ILE 453.A O no hydrogen 3.156 N/A LEU 476.A N ILE 451.A O no hydrogen 2.902 N/A SER 477.A N ARG 480.A O no hydrogen 2.880 N/A SER 477.A OG GLN 479.A OE1 no hydrogen 3.281 N/A GLN 479.A N SER 477.A OG no hydrogen 3.315 N/A ARG 480.A N SER 477.A OG no hydrogen 3.101 N/A ARG 480.A NE ASN 475.A O no hydrogen 2.861 N/A ARG 480.A NH2 ASN 475.A O no hydrogen 3.211 N/A ARG 481.A N GLY 602.A O no hydrogen 3.020 N/A ARG 481.A NE PRO 478.A O no hydrogen 3.047 N/A ARG 481.A NH1 GLU 601.A O no hydrogen 2.717 N/A MET 482.A N GLY 602.A O no hydrogen 3.273 N/A LEU 483.A N THR 584.A O no hydrogen 3.380 N/A ILE 484.A N ALA 604.A O no hydrogen 3.155 N/A GLY 491.A N PRO 488.A O no hydrogen 3.144 N/A LYS 493.A NZ PRO 488.A O no hydrogen 3.168 N/A LYS 493.A NZ ASN 489.A OD1 no hydrogen 3.474 N/A SER 494.A OG ASP 554.A OD2 no hydrogen 3.435 N/A TYR 496.A N GLY 492.A O no hydrogen 2.963 N/A TYR 496.A OH PRO 473.A O no hydrogen 3.196 N/A MET 497.A N LYS 493.A O no hydrogen 3.216 N/A ARG 498.A N SER 494.A O no hydrogen 2.859 N/A GLN 499.A N THR 495.A O no hydrogen 2.511 N/A THR 500.A N TYR 496.A O no hydrogen 3.291 N/A THR 500.A OG1 TYR 496.A O no hydrogen 2.579 N/A ALA 501.A N MET 497.A O no hydrogen 3.292 N/A LEU 502.A N ARG 498.A O no hydrogen 3.117 N/A ILE 503.A N GLN 499.A O no hydrogen 3.100 N/A ALA 504.A N THR 500.A O no hydrogen 3.180 N/A LEU 505.A N ALA 501.A O no hydrogen 3.142 N/A MET 506.A N LEU 502.A O no hydrogen 2.544 N/A ALA 507.A N ILE 503.A O no hydrogen 2.856 N/A TYR 508.A N ALA 504.A O no hydrogen 2.994 N/A TYR 508.A N LEU 505.A O no hydrogen 2.955 N/A ILE 509.A N MET 506.A O no hydrogen 3.487 N/A TYR 512.A OH GLN 198.A O no hydrogen 3.221 N/A VAL 513.A N THR 441.A O no hydrogen 2.671 N/A GLN 516.A N THR 454.A O no hydrogen 3.146 N/A GLU 519.A N ARG 452.A O no hydrogen 3.127 N/A ILE 520.A N THR 444.A O no hydrogen 3.166 N/A ILE 523.A N TYR 508.A OH no hydrogen 3.236 N/A ARG 525.A N ASP 524.A OD1 no hydrogen 2.884 N/A ILE 526.A N ILE 141.A O no hydrogen 3.090 N/A PHE 527.A N LEU 550.A O no hydrogen 3.043 N/A THR 528.A OG1 THR 146.A OG1 no hydrogen 2.668 N/A GLU 537.A N GLU 534.A O no hydrogen 3.104 N/A THR 538.A N GLU 534.A O no hydrogen 3.241 N/A THR 538.A OG1 MET 535.A O no hydrogen 2.659 N/A ALA 539.A N MET 535.A O no hydrogen 3.135 N/A ILE 541.A N GLU 537.A O no hydrogen 3.150 N/A LEU 542.A N THR 538.A O no hydrogen 2.913 N/A HIS 543.A N ALA 539.A O no hydrogen 2.915 N/A ASN 544.A N ASN 540.A O no hydrogen 2.918 N/A ASN 544.A ND2 PHE 98.A O no hydrogen 3.624 N/A ALA 545.A N ILE 541.A O no hydrogen 2.804 N/A THR 546.A N SER 549.A OG no hydrogen 2.939 N/A THR 546.A OG1 ASP 524.A OD2 no hydrogen 3.262 N/A THR 546.A OG1 SER 549.A OG no hydrogen 2.945 N/A TYR 548.A N THR 546.A OG1 no hydrogen 3.154 N/A SER 549.A N THR 546.A O no hydrogen 3.439 N/A SER 549.A OG ASP 524.A OD1 no hydrogen 3.002 N/A SER 549.A OG THR 546.A OG1 no hydrogen 2.945 N/A LEU 550.A N ARG 525.A O no hydrogen 2.779 N/A VAL 551.A N LEU 583.A O no hydrogen 3.017 N/A LEU 552.A N PHE 527.A O no hydrogen 2.909 N/A MET 553.A N LEU 585.A O no hydrogen 2.847 N/A GLU 555.A N ALA 587.A O no hydrogen 3.056 N/A ARG 558.A NE ARG 558.A O no hydrogen 2.907 N/A THR 560.A N ASP 564.A OD2 no hydrogen 2.909 N/A SER 561.A OG THR 560.A O no hydrogen 2.737 N/A LEU 566.A N THR 562.A O no hydrogen 3.390 N/A SER 567.A N TYR 563.A O no hydrogen 3.060 N/A SER 567.A OG TYR 563.A O no hydrogen 3.025 N/A LEU 568.A N ASP 564.A O no hydrogen 3.374 N/A ALA 569.A N GLY 565.A O no hydrogen 3.155 N/A TRP 570.A N LEU 566.A O no hydrogen 2.839 N/A ALA 571.A N SER 567.A O no hydrogen 3.076 N/A VAL 572.A N LEU 568.A O no hydrogen 2.749 N/A ALA 573.A N ALA 569.A O no hydrogen 2.917 N/A GLU 574.A N TRP 570.A O no hydrogen 2.984 N/A ASN 575.A N ALA 571.A O no hydrogen 2.829 N/A LEU 576.A N VAL 572.A O no hydrogen 3.038 N/A ALA 577.A N GLU 574.A O no hydrogen 2.974 N/A ASN 578.A N GLU 574.A O no hydrogen 2.426 N/A LYS 579.A N ASN 575.A O no hydrogen 2.830 N/A LYS 579.A NZ ASN 578.A OD1 no hydrogen 3.306 N/A ILE 580.A N ASN 575.A O no hydrogen 2.947 N/A LYS 581.A NZ ALA 577.A O no hydrogen 3.148 N/A LYS 581.A NZ ASN 578.A O no hydrogen 2.833 N/A THR 584.A N ARG 481.A O no hydrogen 2.934 N/A THR 584.A OG1 ALA 582.A O no hydrogen 2.763 N/A LEU 585.A N VAL 551.A O no hydrogen 2.747 N/A PHE 586.A N LEU 483.A O no hydrogen 3.522 N/A THR 588.A OG1 GLU 555.A OE1 no hydrogen 3.424 N/A HIS 589.A N GLU 555.A OE1 no hydrogen 3.197 N/A TYR 590.A N THR 588.A OG1 no hydrogen 3.397 N/A TYR 590.A OH GLY 557.A O no hydrogen 3.402 N/A GLU 592.A N GLU 592.A OE1 no hydrogen 2.858 N/A LEU 593.A N TYR 590.A O no hydrogen 3.145 N/A THR 594.A N PHE 591.A O no hydrogen 3.140 N/A THR 594.A OG1 PHE 591.A O no hydrogen 2.355 N/A GLN 595.A N GLU 592.A O no hydrogen 3.435 N/A LEU 596.A N LEU 593.A O no hydrogen 2.986 N/A MET 600.A N LEU 596.A O no hydrogen 2.546 N/A ALA 604.A N MET 482.A O no hydrogen 3.011 N/A ASN 605.A ND2 THR 594.A O no hydrogen 2.866 N/A VAL 606.A N ILE 484.A O no hydrogen 3.200 N/A HIS 607.A N GLN 624.A O no hydrogen 2.790 N/A LEU 611.A N ALA 618.A O no hydrogen 2.795 N/A HIS 613.A N THR 616.A O no hydrogen 3.205 N/A ILE 617.A N THR 616.A OG1 no hydrogen 2.691 N/A ALA 618.A N LEU 611.A O no hydrogen 3.038 N/A MET 620.A N ASP 609.A O no hydrogen 3.051 N/A GLN 624.A N HIS 607.A O no hydrogen 2.780 N/A GLY 626.A N ASN 605.A O no hydrogen 3.153 N/A LYS 630.A NZ GLU 612.A OE1 no hydrogen 2.820 N/A TYR 632.A OH ALA 610.A O no hydrogen 3.091 N/A VAL 636.A N TYR 632.A O no hydrogen 2.950 N/A ALA 637.A N GLY 633.A O no hydrogen 2.627 N/A ALA 640.A N VAL 636.A O no hydrogen 2.855 N/A ALA 640.A N ALA 637.A O no hydrogen 3.111 N/A GLY 641.A N ALA 638.A O no hydrogen 2.922 N/A VAL 642.A N ALA 637.A O no hydrogen 3.341 N/A VAL 646.A N PRO 643.A O no hydrogen 3.375 N/A LYS 648.A N LYS 644.A O no hydrogen 2.716 N/A ARG 649.A N GLU 645.A O no hydrogen 3.147 N/A ALA 650.A N VAL 646.A O no hydrogen 2.719 N/A ARG 651.A N ILE 647.A O no hydrogen 2.846 N/A GLN 652.A N LYS 648.A O no hydrogen 2.739 N/A LYS 653.A N ARG 649.A O no hydrogen 2.935 N/A LEU 654.A N ALA 650.A O no hydrogen 2.634 N/A ARG 655.A N ARG 651.A O no hydrogen 3.365 N/A GLU 656.A N LYS 653.A O no hydrogen 3.229 N/A LEU 657.A N LYS 653.A O no hydrogen 3.125 N/A LEU 657.A N LEU 654.A O no hydrogen 2.965 N/A GLU 658.A N LEU 654.A O no hydrogen 2.592 N/A SER 659.A OG ARG 655.A O no hydrogen 3.132 N/A SER 659.A OG GLU 656.A O no hydrogen 2.765 N/A ILE 660.A N LEU 657.A O no hydrogen 3.300 N/A