USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 596 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.203 (180deg=-0.614) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0631 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0202) USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0599) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -27:sc= 1.13 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -120:sc= -0.115 (180deg=-0.75) USER MOD Single : A 30 CYS SG : rot 18:sc= 0.213 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0376 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 43 ASN : amide:sc= -0.0137 X(o=-0.014,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.844 K(o=-0.84,f=-4.1!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.076) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 162:sc=-0.00198 (180deg=-0.328) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 41.953 14.823 19.468 1.00 0.00 N ATOM 2 CA MET A 1 40.577 14.309 19.219 1.00 0.00 C ATOM 3 C MET A 1 40.116 14.739 17.823 1.00 0.00 C ATOM 4 O MET A 1 39.392 15.705 17.669 1.00 0.00 O ATOM 5 CB MET A 1 39.620 14.877 20.272 1.00 0.00 C ATOM 6 CG MET A 1 39.748 16.407 20.323 1.00 0.00 C ATOM 7 SD MET A 1 40.672 16.907 21.801 1.00 0.00 S ATOM 8 CE MET A 1 39.739 18.418 22.148 1.00 0.00 C ATOM 0 H1 MET A 1 42.624 14.029 19.475 1.00 0.00 H new ATOM 0 H2 MET A 1 42.215 15.491 18.715 1.00 0.00 H new ATOM 0 H3 MET A 1 41.981 15.309 20.387 1.00 0.00 H new ATOM 0 HA MET A 1 40.579 13.221 19.281 1.00 0.00 H new ATOM 0 HB2 MET A 1 38.594 14.597 20.033 1.00 0.00 H new ATOM 0 HB3 MET A 1 39.847 14.451 21.250 1.00 0.00 H new ATOM 0 HG2 MET A 1 40.256 16.767 19.428 1.00 0.00 H new ATOM 0 HG3 MET A 1 38.758 16.862 20.333 1.00 0.00 H new ATOM 0 HE1 MET A 1 40.145 18.900 23.037 1.00 0.00 H new ATOM 0 HE2 MET A 1 39.817 19.097 21.299 1.00 0.00 H new ATOM 0 HE3 MET A 1 38.692 18.168 22.317 1.00 0.00 H new ATOM 20 N GLU A 2 40.531 14.026 16.808 1.00 0.00 N ATOM 21 CA GLU A 2 40.124 14.383 15.417 1.00 0.00 C ATOM 22 C GLU A 2 39.622 13.126 14.698 1.00 0.00 C ATOM 23 O GLU A 2 40.201 12.679 13.724 1.00 0.00 O ATOM 24 CB GLU A 2 41.326 14.965 14.669 1.00 0.00 C ATOM 25 CG GLU A 2 41.610 16.379 15.180 1.00 0.00 C ATOM 26 CD GLU A 2 40.625 17.360 14.544 1.00 0.00 C ATOM 27 OE1 GLU A 2 39.529 17.489 15.063 1.00 0.00 O ATOM 28 OE2 GLU A 2 40.983 17.966 13.547 1.00 0.00 O ATOM 0 H GLU A 2 41.137 13.209 16.884 1.00 0.00 H new ATOM 0 HA GLU A 2 39.326 15.125 15.445 1.00 0.00 H new ATOM 0 HB2 GLU A 2 42.201 14.331 14.816 1.00 0.00 H new ATOM 0 HB3 GLU A 2 41.125 14.988 13.598 1.00 0.00 H new ATOM 0 HG2 GLU A 2 41.520 16.409 16.266 1.00 0.00 H new ATOM 0 HG3 GLU A 2 42.633 16.666 14.937 1.00 0.00 H new ATOM 35 N THR A 3 38.546 12.555 15.175 1.00 0.00 N ATOM 36 CA THR A 3 37.994 11.327 14.532 1.00 0.00 C ATOM 37 C THR A 3 36.847 11.715 13.596 1.00 0.00 C ATOM 38 O THR A 3 35.685 11.532 13.912 1.00 0.00 O ATOM 39 CB THR A 3 37.480 10.368 15.612 1.00 0.00 C ATOM 40 OG1 THR A 3 37.097 11.109 16.763 1.00 0.00 O ATOM 41 CG2 THR A 3 38.584 9.378 15.984 1.00 0.00 C ATOM 0 H THR A 3 38.024 12.889 15.986 1.00 0.00 H new ATOM 0 HA THR A 3 38.778 10.833 13.958 1.00 0.00 H new ATOM 0 HB THR A 3 36.618 9.822 15.230 1.00 0.00 H new ATOM 0 HG1 THR A 3 36.767 10.495 17.452 1.00 0.00 H new ATOM 0 HG21 THR A 3 38.218 8.696 16.752 1.00 0.00 H new ATOM 0 HG22 THR A 3 38.874 8.808 15.101 1.00 0.00 H new ATOM 0 HG23 THR A 3 39.448 9.923 16.364 1.00 0.00 H new ATOM 49 N LEU A 4 37.167 12.252 12.446 1.00 0.00 N ATOM 50 CA LEU A 4 36.105 12.658 11.480 1.00 0.00 C ATOM 51 C LEU A 4 36.591 12.401 10.053 1.00 0.00 C ATOM 52 O LEU A 4 36.060 11.563 9.348 1.00 0.00 O ATOM 53 CB LEU A 4 35.797 14.151 11.662 1.00 0.00 C ATOM 54 CG LEU A 4 34.447 14.318 12.362 1.00 0.00 C ATOM 55 CD1 LEU A 4 34.294 15.762 12.841 1.00 0.00 C ATOM 56 CD2 LEU A 4 33.322 13.986 11.380 1.00 0.00 C ATOM 0 H LEU A 4 38.122 12.427 12.135 1.00 0.00 H new ATOM 0 HA LEU A 4 35.201 12.077 11.662 1.00 0.00 H new ATOM 0 HB2 LEU A 4 36.583 14.625 12.249 1.00 0.00 H new ATOM 0 HB3 LEU A 4 35.779 14.649 10.693 1.00 0.00 H new ATOM 0 HG LEU A 4 34.396 13.645 13.218 1.00 0.00 H new ATOM 0 HD11 LEU A 4 33.332 15.880 13.340 1.00 0.00 H new ATOM 0 HD12 LEU A 4 35.096 16.001 13.539 1.00 0.00 H new ATOM 0 HD13 LEU A 4 34.345 16.436 11.986 1.00 0.00 H new ATOM 0 HD21 LEU A 4 32.359 14.104 11.877 1.00 0.00 H new ATOM 0 HD22 LEU A 4 33.375 14.660 10.525 1.00 0.00 H new ATOM 0 HD23 LEU A 4 33.430 12.957 11.038 1.00 0.00 H new ATOM 68 N VAL A 5 37.594 13.120 9.628 1.00 0.00 N ATOM 69 CA VAL A 5 38.127 12.932 8.247 1.00 0.00 C ATOM 70 C VAL A 5 39.652 12.800 8.304 1.00 0.00 C ATOM 71 O VAL A 5 40.377 13.728 7.994 1.00 0.00 O ATOM 72 CB VAL A 5 37.743 14.139 7.385 1.00 0.00 C ATOM 73 CG1 VAL A 5 38.132 13.873 5.930 1.00 0.00 C ATOM 74 CG2 VAL A 5 36.231 14.372 7.473 1.00 0.00 C ATOM 0 H VAL A 5 38.070 13.833 10.180 1.00 0.00 H new ATOM 0 HA VAL A 5 37.703 12.028 7.810 1.00 0.00 H new ATOM 0 HB VAL A 5 38.269 15.023 7.747 1.00 0.00 H new ATOM 0 HG11 VAL A 5 37.858 14.732 5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 5 39.208 13.709 5.865 1.00 0.00 H new ATOM 0 HG13 VAL A 5 37.607 12.988 5.569 1.00 0.00 H new ATOM 0 HG21 VAL A 5 35.959 15.231 6.859 1.00 0.00 H new ATOM 0 HG22 VAL A 5 35.705 13.488 7.113 1.00 0.00 H new ATOM 0 HG23 VAL A 5 35.952 14.563 8.509 1.00 0.00 H new ATOM 84 N GLN A 6 40.141 11.652 8.700 1.00 0.00 N ATOM 85 CA GLN A 6 41.617 11.448 8.783 1.00 0.00 C ATOM 86 C GLN A 6 42.166 11.112 7.395 1.00 0.00 C ATOM 87 O GLN A 6 41.452 11.145 6.410 1.00 0.00 O ATOM 88 CB GLN A 6 41.921 10.299 9.748 1.00 0.00 C ATOM 89 CG GLN A 6 41.506 10.701 11.165 1.00 0.00 C ATOM 90 CD GLN A 6 41.471 9.461 12.061 1.00 0.00 C ATOM 91 OE1 GLN A 6 40.444 8.827 12.201 1.00 0.00 O ATOM 92 NE2 GLN A 6 42.558 9.086 12.680 1.00 0.00 N ATOM 0 H GLN A 6 39.578 10.845 8.970 1.00 0.00 H new ATOM 0 HA GLN A 6 42.090 12.360 9.147 1.00 0.00 H new ATOM 0 HB2 GLN A 6 41.385 9.401 9.441 1.00 0.00 H new ATOM 0 HB3 GLN A 6 42.984 10.060 9.723 1.00 0.00 H new ATOM 0 HG2 GLN A 6 42.207 11.432 11.566 1.00 0.00 H new ATOM 0 HG3 GLN A 6 40.525 11.176 11.146 1.00 0.00 H new ATOM 0 HE21 GLN A 6 43.421 9.618 12.563 1.00 0.00 H new ATOM 0 HE22 GLN A 6 42.544 8.262 13.280 1.00 0.00 H new ATOM 101 N ALA A 7 43.433 10.797 7.313 1.00 0.00 N ATOM 102 CA ALA A 7 44.048 10.464 5.995 1.00 0.00 C ATOM 103 C ALA A 7 43.364 9.232 5.395 1.00 0.00 C ATOM 104 O ALA A 7 43.582 8.118 5.831 1.00 0.00 O ATOM 105 CB ALA A 7 45.538 10.176 6.187 1.00 0.00 C ATOM 0 H ALA A 7 44.071 10.756 8.108 1.00 0.00 H new ATOM 0 HA ALA A 7 43.921 11.309 5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 7 45.988 9.933 5.225 1.00 0.00 H new ATOM 0 HB2 ALA A 7 46.028 11.056 6.605 1.00 0.00 H new ATOM 0 HB3 ALA A 7 45.661 9.334 6.869 1.00 0.00 H new ATOM 111 N ARG A 8 42.538 9.430 4.399 1.00 0.00 N ATOM 112 CA ARG A 8 41.831 8.286 3.761 1.00 0.00 C ATOM 113 C ARG A 8 42.705 7.704 2.645 1.00 0.00 C ATOM 114 O ARG A 8 43.765 8.219 2.343 1.00 0.00 O ATOM 115 CB ARG A 8 40.497 8.776 3.178 1.00 0.00 C ATOM 116 CG ARG A 8 39.328 8.236 4.014 1.00 0.00 C ATOM 117 CD ARG A 8 38.679 7.052 3.291 1.00 0.00 C ATOM 118 NE ARG A 8 37.308 6.827 3.833 1.00 0.00 N ATOM 119 CZ ARG A 8 36.411 6.215 3.107 1.00 0.00 C ATOM 120 NH1 ARG A 8 36.218 6.575 1.868 1.00 0.00 N ATOM 121 NH2 ARG A 8 35.710 5.242 3.621 1.00 0.00 N ATOM 0 H ARG A 8 42.324 10.344 4.000 1.00 0.00 H new ATOM 0 HA ARG A 8 41.638 7.512 4.504 1.00 0.00 H new ATOM 0 HB2 ARG A 8 40.474 9.866 3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 8 40.399 8.445 2.144 1.00 0.00 H new ATOM 0 HG2 ARG A 8 39.684 7.924 4.996 1.00 0.00 H new ATOM 0 HG3 ARG A 8 38.591 9.023 4.177 1.00 0.00 H new ATOM 0 HD2 ARG A 8 38.630 7.249 2.220 1.00 0.00 H new ATOM 0 HD3 ARG A 8 39.285 6.156 3.423 1.00 0.00 H new ATOM 0 HE ARG A 8 37.071 7.151 4.771 1.00 0.00 H new ATOM 0 HH11 ARG A 8 36.768 7.334 1.466 1.00 0.00 H new ATOM 0 HH12 ARG A 8 35.518 6.097 1.301 1.00 0.00 H new ATOM 0 HH21 ARG A 8 35.863 4.960 4.589 1.00 0.00 H new ATOM 0 HH22 ARG A 8 35.009 4.764 3.055 1.00 0.00 H new ATOM 135 N LYS A 9 42.264 6.633 2.033 1.00 0.00 N ATOM 136 CA LYS A 9 43.055 6.005 0.940 1.00 0.00 C ATOM 137 C LYS A 9 42.536 6.489 -0.418 1.00 0.00 C ATOM 138 O LYS A 9 42.443 5.726 -1.363 1.00 0.00 O ATOM 139 CB LYS A 9 42.919 4.483 1.026 1.00 0.00 C ATOM 140 CG LYS A 9 43.609 3.981 2.295 1.00 0.00 C ATOM 141 CD LYS A 9 43.157 2.549 2.591 1.00 0.00 C ATOM 142 CE LYS A 9 43.544 2.177 4.023 1.00 0.00 C ATOM 143 NZ LYS A 9 45.026 2.051 4.120 1.00 0.00 N ATOM 0 H LYS A 9 41.383 6.166 2.248 1.00 0.00 H new ATOM 0 HA LYS A 9 44.103 6.285 1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 9 41.866 4.201 1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 9 43.366 4.017 0.148 1.00 0.00 H new ATOM 0 HG2 LYS A 9 44.691 4.013 2.170 1.00 0.00 H new ATOM 0 HG3 LYS A 9 43.366 4.631 3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 9 42.078 2.463 2.461 1.00 0.00 H new ATOM 0 HD3 LYS A 9 43.620 1.858 1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 9 43.187 2.938 4.717 1.00 0.00 H new ATOM 0 HE3 LYS A 9 43.069 1.238 4.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 45.282 1.684 5.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 45.368 1.397 3.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 45.464 2.984 3.982 1.00 0.00 H new ATOM 157 N ARG A 10 42.195 7.748 -0.520 1.00 0.00 N ATOM 158 CA ARG A 10 41.677 8.285 -1.808 1.00 0.00 C ATOM 159 C ARG A 10 42.845 8.709 -2.703 1.00 0.00 C ATOM 160 O ARG A 10 42.859 8.430 -3.888 1.00 0.00 O ATOM 161 CB ARG A 10 40.781 9.493 -1.532 1.00 0.00 C ATOM 162 CG ARG A 10 40.093 9.922 -2.829 1.00 0.00 C ATOM 163 CD ARG A 10 38.948 8.958 -3.144 1.00 0.00 C ATOM 164 NE ARG A 10 38.095 9.538 -4.219 1.00 0.00 N ATOM 165 CZ ARG A 10 36.838 9.804 -3.985 1.00 0.00 C ATOM 166 NH1 ARG A 10 35.967 8.835 -3.919 1.00 0.00 N ATOM 167 NH2 ARG A 10 36.453 11.040 -3.820 1.00 0.00 N ATOM 0 H ARG A 10 42.254 8.428 0.238 1.00 0.00 H new ATOM 0 HA ARG A 10 41.101 7.510 -2.314 1.00 0.00 H new ATOM 0 HB2 ARG A 10 40.035 9.242 -0.778 1.00 0.00 H new ATOM 0 HB3 ARG A 10 41.374 10.316 -1.133 1.00 0.00 H new ATOM 0 HG2 ARG A 10 39.710 10.938 -2.731 1.00 0.00 H new ATOM 0 HG3 ARG A 10 40.812 9.930 -3.649 1.00 0.00 H new ATOM 0 HD2 ARG A 10 39.346 7.994 -3.461 1.00 0.00 H new ATOM 0 HD3 ARG A 10 38.352 8.778 -2.249 1.00 0.00 H new ATOM 0 HE ARG A 10 38.493 9.728 -5.139 1.00 0.00 H new ATOM 0 HH11 ARG A 10 36.268 7.869 -4.050 1.00 0.00 H new ATOM 0 HH12 ARG A 10 34.985 9.043 -3.736 1.00 0.00 H new ATOM 0 HH21 ARG A 10 37.134 11.798 -3.874 1.00 0.00 H new ATOM 0 HH22 ARG A 10 35.471 11.248 -3.637 1.00 0.00 H new ATOM 181 N LYS A 11 43.818 9.385 -2.148 1.00 0.00 N ATOM 182 CA LYS A 11 44.982 9.836 -2.958 1.00 0.00 C ATOM 183 C LYS A 11 45.971 8.679 -3.115 1.00 0.00 C ATOM 184 O LYS A 11 45.726 7.578 -2.658 1.00 0.00 O ATOM 185 CB LYS A 11 45.672 11.008 -2.253 1.00 0.00 C ATOM 186 CG LYS A 11 44.651 12.112 -1.960 1.00 0.00 C ATOM 187 CD LYS A 11 44.689 13.160 -3.074 1.00 0.00 C ATOM 188 CE LYS A 11 44.004 14.441 -2.593 1.00 0.00 C ATOM 189 NZ LYS A 11 42.550 14.182 -2.396 1.00 0.00 N ATOM 0 H LYS A 11 43.853 9.644 -1.162 1.00 0.00 H new ATOM 0 HA LYS A 11 44.639 10.157 -3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 11 46.129 10.667 -1.324 1.00 0.00 H new ATOM 0 HB3 LYS A 11 46.474 11.399 -2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 11 43.651 11.685 -1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 11 44.872 12.579 -1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 11 45.721 13.370 -3.355 1.00 0.00 H new ATOM 0 HD3 LYS A 11 44.188 12.779 -3.964 1.00 0.00 H new ATOM 0 HE2 LYS A 11 44.454 14.778 -1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 11 44.147 15.238 -3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 42.056 15.083 -2.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 42.162 13.721 -3.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 42.416 13.562 -1.572 1.00 0.00 H new ATOM 203 N ARG A 12 47.089 8.922 -3.752 1.00 0.00 N ATOM 204 CA ARG A 12 48.102 7.839 -3.935 1.00 0.00 C ATOM 205 C ARG A 12 49.441 8.253 -3.306 1.00 0.00 C ATOM 206 O ARG A 12 50.461 7.639 -3.556 1.00 0.00 O ATOM 207 CB ARG A 12 48.294 7.560 -5.431 1.00 0.00 C ATOM 208 CG ARG A 12 48.837 8.810 -6.140 1.00 0.00 C ATOM 209 CD ARG A 12 50.344 8.656 -6.368 1.00 0.00 C ATOM 210 NE ARG A 12 50.717 9.278 -7.668 1.00 0.00 N ATOM 211 CZ ARG A 12 51.940 9.687 -7.868 1.00 0.00 C ATOM 212 NH1 ARG A 12 52.345 10.814 -7.349 1.00 0.00 N ATOM 213 NH2 ARG A 12 52.760 8.967 -8.585 1.00 0.00 N ATOM 0 H ARG A 12 47.344 9.824 -4.153 1.00 0.00 H new ATOM 0 HA ARG A 12 47.747 6.934 -3.441 1.00 0.00 H new ATOM 0 HB2 ARG A 12 48.984 6.727 -5.567 1.00 0.00 H new ATOM 0 HB3 ARG A 12 47.345 7.263 -5.878 1.00 0.00 H new ATOM 0 HG2 ARG A 12 48.327 8.951 -7.093 1.00 0.00 H new ATOM 0 HG3 ARG A 12 48.639 9.697 -5.538 1.00 0.00 H new ATOM 0 HD2 ARG A 12 50.895 9.129 -5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 12 50.617 7.601 -6.366 1.00 0.00 H new ATOM 0 HE ARG A 12 50.017 9.384 -8.402 1.00 0.00 H new ATOM 0 HH11 ARG A 12 51.705 11.376 -6.787 1.00 0.00 H new ATOM 0 HH12 ARG A 12 53.301 11.133 -7.506 1.00 0.00 H new ATOM 0 HH21 ARG A 12 52.445 8.085 -8.989 1.00 0.00 H new ATOM 0 HH22 ARG A 12 53.716 9.287 -8.741 1.00 0.00 H new ATOM 227 N THR A 13 49.446 9.278 -2.488 1.00 0.00 N ATOM 228 CA THR A 13 50.716 9.715 -1.842 1.00 0.00 C ATOM 229 C THR A 13 51.012 8.795 -0.655 1.00 0.00 C ATOM 230 O THR A 13 52.151 8.614 -0.268 1.00 0.00 O ATOM 231 CB THR A 13 50.573 11.159 -1.352 1.00 0.00 C ATOM 232 OG1 THR A 13 51.738 11.529 -0.627 1.00 0.00 O ATOM 233 CG2 THR A 13 49.345 11.276 -0.446 1.00 0.00 C ATOM 0 H THR A 13 48.623 9.829 -2.242 1.00 0.00 H new ATOM 0 HA THR A 13 51.533 9.662 -2.561 1.00 0.00 H new ATOM 0 HB THR A 13 50.452 11.822 -2.208 1.00 0.00 H new ATOM 0 HG1 THR A 13 51.649 12.453 -0.314 1.00 0.00 H new ATOM 0 HG21 THR A 13 49.246 12.304 -0.099 1.00 0.00 H new ATOM 0 HG22 THR A 13 48.453 10.994 -1.005 1.00 0.00 H new ATOM 0 HG23 THR A 13 49.461 10.613 0.412 1.00 0.00 H new ATOM 241 N SER A 14 49.991 8.205 -0.081 1.00 0.00 N ATOM 242 CA SER A 14 50.199 7.288 1.074 1.00 0.00 C ATOM 243 C SER A 14 50.631 5.915 0.552 1.00 0.00 C ATOM 244 O SER A 14 51.047 5.779 -0.584 1.00 0.00 O ATOM 245 CB SER A 14 48.891 7.157 1.854 1.00 0.00 C ATOM 246 OG SER A 14 47.978 6.364 1.107 1.00 0.00 O ATOM 0 H SER A 14 49.019 8.323 -0.368 1.00 0.00 H new ATOM 0 HA SER A 14 50.972 7.686 1.731 1.00 0.00 H new ATOM 0 HB2 SER A 14 49.078 6.700 2.826 1.00 0.00 H new ATOM 0 HB3 SER A 14 48.466 8.143 2.042 1.00 0.00 H new ATOM 0 HG SER A 14 47.138 6.276 1.604 1.00 0.00 H new ATOM 252 N ILE A 15 50.539 4.899 1.373 1.00 0.00 N ATOM 253 CA ILE A 15 50.947 3.535 0.926 1.00 0.00 C ATOM 254 C ILE A 15 49.774 2.832 0.246 1.00 0.00 C ATOM 255 O ILE A 15 49.063 2.060 0.866 1.00 0.00 O ATOM 256 CB ILE A 15 51.413 2.707 2.134 1.00 0.00 C ATOM 257 CG1 ILE A 15 52.668 3.351 2.743 1.00 0.00 C ATOM 258 CG2 ILE A 15 51.734 1.266 1.699 1.00 0.00 C ATOM 259 CD1 ILE A 15 53.810 3.381 1.714 1.00 0.00 C ATOM 0 H ILE A 15 50.199 4.957 2.333 1.00 0.00 H new ATOM 0 HA ILE A 15 51.767 3.629 0.214 1.00 0.00 H new ATOM 0 HB ILE A 15 50.615 2.683 2.877 1.00 0.00 H new ATOM 0 HG12 ILE A 15 52.440 4.365 3.072 1.00 0.00 H new ATOM 0 HG13 ILE A 15 52.980 2.792 3.625 1.00 0.00 H new ATOM 0 HG21 ILE A 15 52.063 0.690 2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 15 50.841 0.806 1.275 1.00 0.00 H new ATOM 0 HG23 ILE A 15 52.526 1.280 0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 15 54.691 3.840 2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 15 54.048 2.363 1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 15 53.501 3.961 0.844 1.00 0.00 H new ATOM 271 N GLU A 16 49.597 3.050 -1.031 1.00 0.00 N ATOM 272 CA GLU A 16 48.513 2.350 -1.756 1.00 0.00 C ATOM 273 C GLU A 16 48.917 0.883 -1.838 1.00 0.00 C ATOM 274 O GLU A 16 50.090 0.567 -1.856 1.00 0.00 O ATOM 275 CB GLU A 16 48.370 2.929 -3.167 1.00 0.00 C ATOM 276 CG GLU A 16 46.970 2.621 -3.716 1.00 0.00 C ATOM 277 CD GLU A 16 46.151 3.912 -3.805 1.00 0.00 C ATOM 278 OE1 GLU A 16 46.224 4.701 -2.878 1.00 0.00 O ATOM 279 OE2 GLU A 16 45.467 4.088 -4.799 1.00 0.00 O ATOM 0 H GLU A 16 50.160 3.684 -1.598 1.00 0.00 H new ATOM 0 HA GLU A 16 47.558 2.468 -1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 16 48.534 4.006 -3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 16 49.130 2.504 -3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 16 47.049 2.161 -4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 16 46.466 1.904 -3.069 1.00 0.00 H new ATOM 286 N ASN A 17 47.975 -0.013 -1.869 1.00 0.00 N ATOM 287 CA ASN A 17 48.332 -1.463 -1.934 1.00 0.00 C ATOM 288 C ASN A 17 49.150 -1.744 -3.197 1.00 0.00 C ATOM 289 O ASN A 17 49.887 -2.710 -3.261 1.00 0.00 O ATOM 290 CB ASN A 17 47.057 -2.312 -1.940 1.00 0.00 C ATOM 291 CG ASN A 17 47.276 -3.575 -1.105 1.00 0.00 C ATOM 292 OD1 ASN A 17 47.201 -3.536 0.108 1.00 0.00 O ATOM 293 ND2 ASN A 17 47.544 -4.702 -1.706 1.00 0.00 N ATOM 0 H ASN A 17 46.975 0.190 -1.852 1.00 0.00 H new ATOM 0 HA ASN A 17 48.929 -1.722 -1.060 1.00 0.00 H new ATOM 0 HB2 ASN A 17 46.224 -1.737 -1.536 1.00 0.00 H new ATOM 0 HB3 ASN A 17 46.793 -2.581 -2.963 1.00 0.00 H new ATOM 0 HD21 ASN A 17 47.690 -5.550 -1.158 1.00 0.00 H new ATOM 0 HD22 ASN A 17 47.607 -4.735 -2.724 1.00 0.00 H new ATOM 300 N ARG A 18 49.041 -0.900 -4.192 1.00 0.00 N ATOM 301 CA ARG A 18 49.829 -1.111 -5.435 1.00 0.00 C ATOM 302 C ARG A 18 51.196 -0.448 -5.270 1.00 0.00 C ATOM 303 O ARG A 18 52.170 -0.877 -5.859 1.00 0.00 O ATOM 304 CB ARG A 18 49.088 -0.489 -6.625 1.00 0.00 C ATOM 305 CG ARG A 18 48.397 -1.589 -7.435 1.00 0.00 C ATOM 306 CD ARG A 18 47.204 -0.994 -8.187 1.00 0.00 C ATOM 307 NE ARG A 18 47.690 0.020 -9.165 1.00 0.00 N ATOM 308 CZ ARG A 18 47.176 0.069 -10.363 1.00 0.00 C ATOM 309 NH1 ARG A 18 47.505 -0.828 -11.251 1.00 0.00 N ATOM 310 NH2 ARG A 18 46.333 1.016 -10.672 1.00 0.00 N ATOM 0 H ARG A 18 48.440 -0.076 -4.193 1.00 0.00 H new ATOM 0 HA ARG A 18 49.958 -2.178 -5.618 1.00 0.00 H new ATOM 0 HB2 ARG A 18 48.351 0.232 -6.270 1.00 0.00 H new ATOM 0 HB3 ARG A 18 49.789 0.056 -7.257 1.00 0.00 H new ATOM 0 HG2 ARG A 18 49.100 -2.033 -8.140 1.00 0.00 H new ATOM 0 HG3 ARG A 18 48.062 -2.387 -6.773 1.00 0.00 H new ATOM 0 HD2 ARG A 18 46.657 -1.782 -8.705 1.00 0.00 H new ATOM 0 HD3 ARG A 18 46.510 -0.534 -7.484 1.00 0.00 H new ATOM 0 HE ARG A 18 48.424 0.676 -8.898 1.00 0.00 H new ATOM 0 HH11 ARG A 18 48.164 -1.568 -11.009 1.00 0.00 H new ATOM 0 HH12 ARG A 18 47.103 -0.790 -12.188 1.00 0.00 H new ATOM 0 HH21 ARG A 18 46.076 1.717 -9.977 1.00 0.00 H new ATOM 0 HH22 ARG A 18 45.931 1.055 -11.608 1.00 0.00 H new ATOM 324 N VAL A 19 51.278 0.592 -4.473 1.00 0.00 N ATOM 325 CA VAL A 19 52.588 1.271 -4.276 1.00 0.00 C ATOM 326 C VAL A 19 53.539 0.328 -3.547 1.00 0.00 C ATOM 327 O VAL A 19 54.695 0.229 -3.887 1.00 0.00 O ATOM 328 CB VAL A 19 52.401 2.603 -3.498 1.00 0.00 C ATOM 329 CG1 VAL A 19 52.669 2.460 -1.987 1.00 0.00 C ATOM 330 CG2 VAL A 19 53.377 3.631 -4.069 1.00 0.00 C ATOM 0 H VAL A 19 50.496 0.994 -3.956 1.00 0.00 H new ATOM 0 HA VAL A 19 53.019 1.520 -5.246 1.00 0.00 H new ATOM 0 HB VAL A 19 51.362 2.912 -3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 19 52.522 3.423 -1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 19 51.980 1.729 -1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 19 53.694 2.126 -1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 19 53.263 4.575 -3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 19 54.398 3.268 -3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 19 53.167 3.783 -5.128 1.00 0.00 H new ATOM 340 N ARG A 20 53.060 -0.342 -2.532 1.00 0.00 N ATOM 341 CA ARG A 20 53.944 -1.267 -1.767 1.00 0.00 C ATOM 342 C ARG A 20 54.457 -2.367 -2.677 1.00 0.00 C ATOM 343 O ARG A 20 55.656 -2.584 -2.773 1.00 0.00 O ATOM 344 CB ARG A 20 53.167 -1.876 -0.599 1.00 0.00 C ATOM 345 CG ARG A 20 54.147 -2.306 0.494 1.00 0.00 C ATOM 346 CD ARG A 20 53.380 -2.976 1.636 1.00 0.00 C ATOM 347 NE ARG A 20 52.692 -1.937 2.452 1.00 0.00 N ATOM 348 CZ ARG A 20 52.652 -2.049 3.752 1.00 0.00 C ATOM 349 NH1 ARG A 20 53.692 -1.719 4.469 1.00 0.00 N ATOM 350 NH2 ARG A 20 51.573 -2.493 4.335 1.00 0.00 N ATOM 0 H ARG A 20 52.097 -0.288 -2.201 1.00 0.00 H new ATOM 0 HA ARG A 20 54.794 -0.707 -1.378 1.00 0.00 H new ATOM 0 HB2 ARG A 20 52.458 -1.150 -0.202 1.00 0.00 H new ATOM 0 HB3 ARG A 20 52.587 -2.733 -0.941 1.00 0.00 H new ATOM 0 HG2 ARG A 20 54.885 -2.996 0.084 1.00 0.00 H new ATOM 0 HG3 ARG A 20 54.693 -1.440 0.868 1.00 0.00 H new ATOM 0 HD2 ARG A 20 52.651 -3.679 1.234 1.00 0.00 H new ATOM 0 HD3 ARG A 20 54.065 -3.549 2.261 1.00 0.00 H new ATOM 0 HE ARG A 20 52.252 -1.138 1.995 1.00 0.00 H new ATOM 0 HH11 ARG A 20 54.537 -1.373 4.013 1.00 0.00 H new ATOM 0 HH12 ARG A 20 53.660 -1.807 5.485 1.00 0.00 H new ATOM 0 HH21 ARG A 20 50.761 -2.753 3.775 1.00 0.00 H new ATOM 0 HH22 ARG A 20 51.541 -2.581 5.351 1.00 0.00 H new ATOM 364 N TRP A 21 53.586 -3.072 -3.350 1.00 0.00 N ATOM 365 CA TRP A 21 54.095 -4.148 -4.235 1.00 0.00 C ATOM 366 C TRP A 21 54.752 -3.518 -5.470 1.00 0.00 C ATOM 367 O TRP A 21 55.467 -4.182 -6.195 1.00 0.00 O ATOM 368 CB TRP A 21 52.989 -5.166 -4.571 1.00 0.00 C ATOM 369 CG TRP A 21 53.275 -6.421 -3.782 1.00 0.00 C ATOM 370 CD1 TRP A 21 53.094 -7.692 -4.211 1.00 0.00 C ATOM 371 CD2 TRP A 21 53.835 -6.523 -2.435 1.00 0.00 C ATOM 372 NE1 TRP A 21 53.518 -8.564 -3.215 1.00 0.00 N ATOM 373 CE2 TRP A 21 53.983 -7.885 -2.100 1.00 0.00 C ATOM 374 CE3 TRP A 21 54.227 -5.564 -1.483 1.00 0.00 C ATOM 375 CZ2 TRP A 21 54.512 -8.275 -0.861 1.00 0.00 C ATOM 376 CZ3 TRP A 21 54.753 -5.947 -0.249 1.00 0.00 C ATOM 377 CH2 TRP A 21 54.899 -7.302 0.064 1.00 0.00 C ATOM 0 H TRP A 21 52.573 -2.952 -3.325 1.00 0.00 H new ATOM 0 HA TRP A 21 54.862 -4.724 -3.718 1.00 0.00 H new ATOM 0 HB2 TRP A 21 52.008 -4.766 -4.314 1.00 0.00 H new ATOM 0 HB3 TRP A 21 52.976 -5.379 -5.640 1.00 0.00 H new ATOM 0 HD1 TRP A 21 52.687 -7.981 -5.169 1.00 0.00 H new ATOM 0 HE1 TRP A 21 53.490 -9.580 -3.295 1.00 0.00 H new ATOM 0 HE3 TRP A 21 54.119 -4.514 -1.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 54.620 -9.323 -0.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 55.048 -5.194 0.467 1.00 0.00 H new ATOM 0 HH2 TRP A 21 55.310 -7.596 1.019 1.00 0.00 H new ATOM 388 N SER A 22 54.603 -2.217 -5.657 1.00 0.00 N ATOM 389 CA SER A 22 55.317 -1.542 -6.766 1.00 0.00 C ATOM 390 C SER A 22 56.776 -1.435 -6.309 1.00 0.00 C ATOM 391 O SER A 22 57.699 -1.609 -7.081 1.00 0.00 O ATOM 392 CB SER A 22 54.739 -0.148 -7.016 1.00 0.00 C ATOM 393 OG SER A 22 55.496 0.495 -8.033 1.00 0.00 O ATOM 0 H SER A 22 54.017 -1.610 -5.084 1.00 0.00 H new ATOM 0 HA SER A 22 55.220 -2.097 -7.699 1.00 0.00 H new ATOM 0 HB2 SER A 22 53.694 -0.223 -7.316 1.00 0.00 H new ATOM 0 HB3 SER A 22 54.766 0.440 -6.099 1.00 0.00 H new ATOM 0 HG SER A 22 55.129 1.388 -8.199 1.00 0.00 H new ATOM 399 N LEU A 23 56.986 -1.215 -5.016 1.00 0.00 N ATOM 400 CA LEU A 23 58.373 -1.172 -4.460 1.00 0.00 C ATOM 401 C LEU A 23 59.017 -2.505 -4.807 1.00 0.00 C ATOM 402 O LEU A 23 60.138 -2.581 -5.254 1.00 0.00 O ATOM 403 CB LEU A 23 58.340 -1.069 -2.924 1.00 0.00 C ATOM 404 CG LEU A 23 57.788 0.277 -2.450 1.00 0.00 C ATOM 405 CD1 LEU A 23 57.058 0.065 -1.118 1.00 0.00 C ATOM 406 CD2 LEU A 23 58.946 1.259 -2.229 1.00 0.00 C ATOM 0 H LEU A 23 56.246 -1.064 -4.330 1.00 0.00 H new ATOM 0 HA LEU A 23 58.910 -0.315 -4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 23 57.727 -1.875 -2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 23 59.347 -1.207 -2.530 1.00 0.00 H new ATOM 0 HG LEU A 23 57.106 0.680 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 23 56.658 1.016 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 23 56.240 -0.642 -1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 23 57.756 -0.330 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 23 58.551 2.217 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.623 0.859 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 23 59.488 1.399 -3.164 1.00 0.00 H new ATOM 418 N GLU A 24 58.270 -3.558 -4.599 1.00 0.00 N ATOM 419 CA GLU A 24 58.774 -4.930 -4.907 1.00 0.00 C ATOM 420 C GLU A 24 59.203 -5.031 -6.376 1.00 0.00 C ATOM 421 O GLU A 24 60.253 -5.560 -6.686 1.00 0.00 O ATOM 422 CB GLU A 24 57.656 -5.944 -4.649 1.00 0.00 C ATOM 423 CG GLU A 24 58.263 -7.329 -4.416 1.00 0.00 C ATOM 424 CD GLU A 24 57.342 -8.144 -3.507 1.00 0.00 C ATOM 425 OE1 GLU A 24 56.332 -8.622 -3.996 1.00 0.00 O ATOM 426 OE2 GLU A 24 57.661 -8.275 -2.336 1.00 0.00 O ATOM 0 H GLU A 24 57.322 -3.525 -4.225 1.00 0.00 H new ATOM 0 HA GLU A 24 59.634 -5.138 -4.270 1.00 0.00 H new ATOM 0 HB2 GLU A 24 57.070 -5.642 -3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 24 56.974 -5.973 -5.499 1.00 0.00 H new ATOM 0 HG2 GLU A 24 58.399 -7.843 -5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 24 59.249 -7.234 -3.961 1.00 0.00 H new ATOM 433 N THR A 25 58.391 -4.543 -7.278 1.00 0.00 N ATOM 434 CA THR A 25 58.736 -4.625 -8.729 1.00 0.00 C ATOM 435 C THR A 25 60.024 -3.846 -9.015 1.00 0.00 C ATOM 436 O THR A 25 60.720 -4.124 -9.974 1.00 0.00 O ATOM 437 CB THR A 25 57.592 -4.036 -9.563 1.00 0.00 C ATOM 438 OG1 THR A 25 57.513 -2.637 -9.334 1.00 0.00 O ATOM 439 CG2 THR A 25 56.265 -4.695 -9.174 1.00 0.00 C ATOM 0 H THR A 25 57.501 -4.090 -7.071 1.00 0.00 H new ATOM 0 HA THR A 25 58.887 -5.671 -8.995 1.00 0.00 H new ATOM 0 HB THR A 25 57.786 -4.224 -10.619 1.00 0.00 H new ATOM 0 HG1 THR A 25 57.858 -2.432 -8.440 1.00 0.00 H new ATOM 0 HG21 THR A 25 55.459 -4.270 -9.772 1.00 0.00 H new ATOM 0 HG22 THR A 25 56.325 -5.768 -9.356 1.00 0.00 H new ATOM 0 HG23 THR A 25 56.066 -4.516 -8.117 1.00 0.00 H new ATOM 447 N MET A 26 60.338 -2.864 -8.207 1.00 0.00 N ATOM 448 CA MET A 26 61.573 -2.057 -8.451 1.00 0.00 C ATOM 449 C MET A 26 62.788 -2.688 -7.753 1.00 0.00 C ATOM 450 O MET A 26 63.915 -2.474 -8.159 1.00 0.00 O ATOM 451 CB MET A 26 61.364 -0.638 -7.915 1.00 0.00 C ATOM 452 CG MET A 26 60.392 0.117 -8.827 1.00 0.00 C ATOM 453 SD MET A 26 61.296 0.813 -10.232 1.00 0.00 S ATOM 454 CE MET A 26 59.860 1.436 -11.143 1.00 0.00 C ATOM 0 H MET A 26 59.794 -2.587 -7.390 1.00 0.00 H new ATOM 0 HA MET A 26 61.763 -2.031 -9.524 1.00 0.00 H new ATOM 0 HB2 MET A 26 60.970 -0.676 -6.899 1.00 0.00 H new ATOM 0 HB3 MET A 26 62.318 -0.112 -7.868 1.00 0.00 H new ATOM 0 HG2 MET A 26 59.612 -0.557 -9.181 1.00 0.00 H new ATOM 0 HG3 MET A 26 59.897 0.912 -8.269 1.00 0.00 H new ATOM 0 HE1 MET A 26 60.193 1.914 -12.064 1.00 0.00 H new ATOM 0 HE2 MET A 26 59.195 0.607 -11.385 1.00 0.00 H new ATOM 0 HE3 MET A 26 59.327 2.162 -10.529 1.00 0.00 H new ATOM 464 N PHE A 27 62.576 -3.454 -6.709 1.00 0.00 N ATOM 465 CA PHE A 27 63.729 -4.084 -5.993 1.00 0.00 C ATOM 466 C PHE A 27 64.035 -5.469 -6.570 1.00 0.00 C ATOM 467 O PHE A 27 65.075 -6.039 -6.292 1.00 0.00 O ATOM 468 CB PHE A 27 63.418 -4.216 -4.498 1.00 0.00 C ATOM 469 CG PHE A 27 63.647 -2.882 -3.828 1.00 0.00 C ATOM 470 CD1 PHE A 27 64.952 -2.414 -3.635 1.00 0.00 C ATOM 471 CD2 PHE A 27 62.559 -2.113 -3.402 1.00 0.00 C ATOM 472 CE1 PHE A 27 65.167 -1.179 -3.014 1.00 0.00 C ATOM 473 CE2 PHE A 27 62.774 -0.878 -2.780 1.00 0.00 C ATOM 474 CZ PHE A 27 64.078 -0.411 -2.587 1.00 0.00 C ATOM 0 H PHE A 27 61.657 -3.669 -6.323 1.00 0.00 H new ATOM 0 HA PHE A 27 64.600 -3.443 -6.128 1.00 0.00 H new ATOM 0 HB2 PHE A 27 62.386 -4.537 -4.355 1.00 0.00 H new ATOM 0 HB3 PHE A 27 64.054 -4.978 -4.047 1.00 0.00 H new ATOM 0 HD1 PHE A 27 65.793 -3.006 -3.965 1.00 0.00 H new ATOM 0 HD2 PHE A 27 61.552 -2.473 -3.553 1.00 0.00 H new ATOM 0 HE1 PHE A 27 66.174 -0.818 -2.864 1.00 0.00 H new ATOM 0 HE2 PHE A 27 61.933 -0.286 -2.449 1.00 0.00 H new ATOM 0 HZ PHE A 27 64.245 0.543 -2.108 1.00 0.00 H new ATOM 484 N LEU A 28 63.147 -6.022 -7.362 1.00 0.00 N ATOM 485 CA LEU A 28 63.400 -7.375 -7.940 1.00 0.00 C ATOM 486 C LEU A 28 64.135 -7.262 -9.284 1.00 0.00 C ATOM 487 O LEU A 28 64.162 -8.202 -10.057 1.00 0.00 O ATOM 488 CB LEU A 28 62.065 -8.094 -8.134 1.00 0.00 C ATOM 489 CG LEU A 28 61.453 -8.384 -6.762 1.00 0.00 C ATOM 490 CD1 LEU A 28 60.048 -8.958 -6.937 1.00 0.00 C ATOM 491 CD2 LEU A 28 62.329 -9.395 -6.017 1.00 0.00 C ATOM 0 H LEU A 28 62.261 -5.594 -7.631 1.00 0.00 H new ATOM 0 HA LEU A 28 64.029 -7.943 -7.255 1.00 0.00 H new ATOM 0 HB2 LEU A 28 61.388 -7.478 -8.726 1.00 0.00 H new ATOM 0 HB3 LEU A 28 62.214 -9.023 -8.684 1.00 0.00 H new ATOM 0 HG LEU A 28 61.396 -7.459 -6.189 1.00 0.00 H new ATOM 0 HD11 LEU A 28 59.614 -9.164 -5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 28 59.424 -8.238 -7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 28 60.102 -9.883 -7.512 1.00 0.00 H new ATOM 0 HD21 LEU A 28 61.894 -9.602 -5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 28 62.387 -10.319 -6.592 1.00 0.00 H new ATOM 0 HD23 LEU A 28 63.330 -8.984 -5.889 1.00 0.00 H new ATOM 503 N LYS A 29 64.747 -6.135 -9.560 1.00 0.00 N ATOM 504 CA LYS A 29 65.498 -5.980 -10.838 1.00 0.00 C ATOM 505 C LYS A 29 66.986 -6.181 -10.544 1.00 0.00 C ATOM 506 O LYS A 29 67.697 -6.850 -11.269 1.00 0.00 O ATOM 507 CB LYS A 29 65.253 -4.575 -11.424 1.00 0.00 C ATOM 508 CG LYS A 29 65.820 -3.491 -10.492 1.00 0.00 C ATOM 509 CD LYS A 29 65.325 -2.117 -10.946 1.00 0.00 C ATOM 510 CE LYS A 29 66.227 -1.595 -12.065 1.00 0.00 C ATOM 511 NZ LYS A 29 67.574 -1.275 -11.510 1.00 0.00 N ATOM 0 H LYS A 29 64.757 -5.316 -8.952 1.00 0.00 H new ATOM 0 HA LYS A 29 65.161 -6.716 -11.567 1.00 0.00 H new ATOM 0 HB2 LYS A 29 65.720 -4.498 -12.406 1.00 0.00 H new ATOM 0 HB3 LYS A 29 64.184 -4.416 -11.567 1.00 0.00 H new ATOM 0 HG2 LYS A 29 65.508 -3.680 -9.465 1.00 0.00 H new ATOM 0 HG3 LYS A 29 66.910 -3.519 -10.505 1.00 0.00 H new ATOM 0 HD2 LYS A 29 64.295 -2.187 -11.297 1.00 0.00 H new ATOM 0 HD3 LYS A 29 65.329 -1.422 -10.107 1.00 0.00 H new ATOM 0 HE2 LYS A 29 66.315 -2.342 -12.854 1.00 0.00 H new ATOM 0 HE3 LYS A 29 65.787 -0.706 -12.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 67.782 -0.267 -11.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 67.587 -1.481 -10.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 68.293 -1.853 -11.990 1.00 0.00 H new ATOM 525 N CYS A 30 67.442 -5.609 -9.463 1.00 0.00 N ATOM 526 CA CYS A 30 68.860 -5.747 -9.065 1.00 0.00 C ATOM 527 C CYS A 30 68.919 -5.881 -7.529 1.00 0.00 C ATOM 528 O CYS A 30 68.193 -5.192 -6.841 1.00 0.00 O ATOM 529 CB CYS A 30 69.638 -4.503 -9.498 1.00 0.00 C ATOM 530 SG CYS A 30 70.054 -4.631 -11.254 1.00 0.00 S ATOM 0 H CYS A 30 66.876 -5.043 -8.831 1.00 0.00 H new ATOM 0 HA CYS A 30 69.301 -6.624 -9.539 1.00 0.00 H new ATOM 0 HB2 CYS A 30 69.042 -3.608 -9.319 1.00 0.00 H new ATOM 0 HB3 CYS A 30 70.547 -4.405 -8.904 1.00 0.00 H new ATOM 0 HG CYS A 30 69.290 -5.519 -11.817 1.00 0.00 H new ATOM 536 N PRO A 31 69.777 -6.746 -7.019 1.00 0.00 N ATOM 537 CA PRO A 31 69.920 -6.942 -5.567 1.00 0.00 C ATOM 538 C PRO A 31 70.926 -5.935 -4.998 1.00 0.00 C ATOM 539 O PRO A 31 71.461 -6.139 -3.923 1.00 0.00 O ATOM 540 CB PRO A 31 70.516 -8.345 -5.455 1.00 0.00 C ATOM 541 CG PRO A 31 71.236 -8.614 -6.797 1.00 0.00 C ATOM 542 CD PRO A 31 70.665 -7.611 -7.816 1.00 0.00 C ATOM 0 HA PRO A 31 68.980 -6.815 -5.030 1.00 0.00 H new ATOM 0 HB2 PRO A 31 71.213 -8.407 -4.620 1.00 0.00 H new ATOM 0 HB3 PRO A 31 69.737 -9.086 -5.275 1.00 0.00 H new ATOM 0 HG2 PRO A 31 72.313 -8.486 -6.690 1.00 0.00 H new ATOM 0 HG3 PRO A 31 71.068 -9.639 -7.127 1.00 0.00 H new ATOM 0 HD2 PRO A 31 71.457 -7.035 -8.294 1.00 0.00 H new ATOM 0 HD3 PRO A 31 70.117 -8.119 -8.610 1.00 0.00 H new ATOM 550 N LYS A 32 71.221 -4.873 -5.717 1.00 0.00 N ATOM 551 CA LYS A 32 72.225 -3.899 -5.218 1.00 0.00 C ATOM 552 C LYS A 32 71.636 -2.469 -5.153 1.00 0.00 C ATOM 553 O LYS A 32 72.169 -1.566 -5.773 1.00 0.00 O ATOM 554 CB LYS A 32 73.428 -3.912 -6.168 1.00 0.00 C ATOM 555 CG LYS A 32 72.950 -3.623 -7.596 1.00 0.00 C ATOM 556 CD LYS A 32 74.116 -3.078 -8.424 1.00 0.00 C ATOM 557 CE LYS A 32 74.306 -1.590 -8.119 1.00 0.00 C ATOM 558 NZ LYS A 32 75.540 -1.097 -8.793 1.00 0.00 N ATOM 0 H LYS A 32 70.807 -4.648 -6.622 1.00 0.00 H new ATOM 0 HA LYS A 32 72.525 -4.185 -4.210 1.00 0.00 H new ATOM 0 HB2 LYS A 32 74.158 -3.164 -5.859 1.00 0.00 H new ATOM 0 HB3 LYS A 32 73.927 -4.880 -6.128 1.00 0.00 H new ATOM 0 HG2 LYS A 32 72.561 -4.533 -8.052 1.00 0.00 H new ATOM 0 HG3 LYS A 32 72.134 -2.901 -7.579 1.00 0.00 H new ATOM 0 HD2 LYS A 32 75.029 -3.627 -8.192 1.00 0.00 H new ATOM 0 HD3 LYS A 32 73.919 -3.220 -9.487 1.00 0.00 H new ATOM 0 HE2 LYS A 32 73.440 -1.024 -8.463 1.00 0.00 H new ATOM 0 HE3 LYS A 32 74.380 -1.435 -7.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 75.669 -0.086 -8.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 76.362 -1.629 -8.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 75.451 -1.231 -9.821 1.00 0.00 H new ATOM 572 N PRO A 33 70.572 -2.271 -4.395 1.00 0.00 N ATOM 573 CA PRO A 33 69.970 -0.934 -4.264 1.00 0.00 C ATOM 574 C PRO A 33 70.843 -0.067 -3.353 1.00 0.00 C ATOM 575 O PRO A 33 71.195 -0.461 -2.257 1.00 0.00 O ATOM 576 CB PRO A 33 68.603 -1.201 -3.635 1.00 0.00 C ATOM 577 CG PRO A 33 68.713 -2.569 -2.928 1.00 0.00 C ATOM 578 CD PRO A 33 69.874 -3.320 -3.611 1.00 0.00 C ATOM 0 HA PRO A 33 69.883 -0.401 -5.211 1.00 0.00 H new ATOM 0 HB2 PRO A 33 68.341 -0.416 -2.925 1.00 0.00 H new ATOM 0 HB3 PRO A 33 67.822 -1.217 -4.395 1.00 0.00 H new ATOM 0 HG2 PRO A 33 68.906 -2.441 -1.863 1.00 0.00 H new ATOM 0 HG3 PRO A 33 67.782 -3.129 -3.018 1.00 0.00 H new ATOM 0 HD2 PRO A 33 70.538 -3.778 -2.878 1.00 0.00 H new ATOM 0 HD3 PRO A 33 69.508 -4.121 -4.254 1.00 0.00 H new ATOM 586 N SER A 34 71.201 1.103 -3.808 1.00 0.00 N ATOM 587 CA SER A 34 72.060 2.005 -2.991 1.00 0.00 C ATOM 588 C SER A 34 71.268 2.553 -1.817 1.00 0.00 C ATOM 589 O SER A 34 70.081 2.784 -1.915 1.00 0.00 O ATOM 590 CB SER A 34 72.543 3.164 -3.867 1.00 0.00 C ATOM 591 OG SER A 34 73.845 2.871 -4.354 1.00 0.00 O ATOM 0 H SER A 34 70.932 1.475 -4.719 1.00 0.00 H new ATOM 0 HA SER A 34 72.915 1.445 -2.611 1.00 0.00 H new ATOM 0 HB2 SER A 34 71.856 3.317 -4.700 1.00 0.00 H new ATOM 0 HB3 SER A 34 72.557 4.089 -3.291 1.00 0.00 H new ATOM 0 HG SER A 34 74.158 3.610 -4.917 1.00 0.00 H new ATOM 597 N LEU A 35 71.931 2.801 -0.713 1.00 0.00 N ATOM 598 CA LEU A 35 71.231 3.394 0.464 1.00 0.00 C ATOM 599 C LEU A 35 70.690 4.758 0.042 1.00 0.00 C ATOM 600 O LEU A 35 69.675 5.226 0.527 1.00 0.00 O ATOM 601 CB LEU A 35 72.223 3.560 1.614 1.00 0.00 C ATOM 602 CG LEU A 35 72.600 2.175 2.141 1.00 0.00 C ATOM 603 CD1 LEU A 35 73.970 1.765 1.594 1.00 0.00 C ATOM 604 CD2 LEU A 35 72.647 2.198 3.671 1.00 0.00 C ATOM 0 H LEU A 35 72.925 2.618 -0.579 1.00 0.00 H new ATOM 0 HA LEU A 35 70.417 2.750 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 35 73.113 4.089 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 35 71.782 4.160 2.410 1.00 0.00 H new ATOM 0 HG LEU A 35 71.851 1.454 1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 35 74.233 0.777 1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 35 73.934 1.738 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 35 74.721 2.488 1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 35 72.916 1.209 4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 35 73.390 2.924 4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 35 71.668 2.478 4.061 1.00 0.00 H new ATOM 616 N GLN A 36 71.350 5.368 -0.910 1.00 0.00 N ATOM 617 CA GLN A 36 70.875 6.675 -1.436 1.00 0.00 C ATOM 618 C GLN A 36 69.587 6.398 -2.202 1.00 0.00 C ATOM 619 O GLN A 36 68.628 7.143 -2.134 1.00 0.00 O ATOM 620 CB GLN A 36 71.929 7.268 -2.374 1.00 0.00 C ATOM 621 CG GLN A 36 71.578 8.722 -2.690 1.00 0.00 C ATOM 622 CD GLN A 36 72.851 9.482 -3.068 1.00 0.00 C ATOM 623 OE1 GLN A 36 73.694 9.733 -2.230 1.00 0.00 O ATOM 624 NE2 GLN A 36 73.025 9.861 -4.304 1.00 0.00 N ATOM 0 H GLN A 36 72.201 5.012 -1.345 1.00 0.00 H new ATOM 0 HA GLN A 36 70.702 7.388 -0.630 1.00 0.00 H new ATOM 0 HB2 GLN A 36 72.914 7.214 -1.910 1.00 0.00 H new ATOM 0 HB3 GLN A 36 71.978 6.687 -3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 36 70.859 8.764 -3.509 1.00 0.00 H new ATOM 0 HG3 GLN A 36 71.105 9.189 -1.826 1.00 0.00 H new ATOM 0 HE21 GLN A 36 72.317 9.650 -5.007 1.00 0.00 H new ATOM 0 HE22 GLN A 36 73.870 10.369 -4.568 1.00 0.00 H new ATOM 633 N GLN A 37 69.562 5.295 -2.908 1.00 0.00 N ATOM 634 CA GLN A 37 68.345 4.905 -3.666 1.00 0.00 C ATOM 635 C GLN A 37 67.207 4.656 -2.674 1.00 0.00 C ATOM 636 O GLN A 37 66.050 4.859 -2.992 1.00 0.00 O ATOM 637 CB GLN A 37 68.623 3.625 -4.458 1.00 0.00 C ATOM 638 CG GLN A 37 67.593 3.486 -5.580 1.00 0.00 C ATOM 639 CD GLN A 37 68.253 2.838 -6.800 1.00 0.00 C ATOM 640 OE1 GLN A 37 68.510 3.497 -7.788 1.00 0.00 O ATOM 641 NE2 GLN A 37 68.542 1.565 -6.773 1.00 0.00 N ATOM 0 H GLN A 37 70.344 4.645 -2.989 1.00 0.00 H new ATOM 0 HA GLN A 37 68.068 5.700 -4.358 1.00 0.00 H new ATOM 0 HB2 GLN A 37 69.630 3.654 -4.875 1.00 0.00 H new ATOM 0 HB3 GLN A 37 68.577 2.759 -3.798 1.00 0.00 H new ATOM 0 HG2 GLN A 37 66.752 2.880 -5.243 1.00 0.00 H new ATOM 0 HG3 GLN A 37 67.194 4.465 -5.846 1.00 0.00 H new ATOM 0 HE21 GLN A 37 68.327 1.011 -5.944 1.00 0.00 H new ATOM 0 HE22 GLN A 37 68.983 1.125 -7.581 1.00 0.00 H new ATOM 650 N ILE A 38 67.525 4.238 -1.465 1.00 0.00 N ATOM 651 CA ILE A 38 66.452 4.010 -0.456 1.00 0.00 C ATOM 652 C ILE A 38 65.935 5.375 -0.006 1.00 0.00 C ATOM 653 O ILE A 38 64.777 5.528 0.317 1.00 0.00 O ATOM 654 CB ILE A 38 66.975 3.184 0.742 1.00 0.00 C ATOM 655 CG1 ILE A 38 67.235 1.741 0.273 1.00 0.00 C ATOM 656 CG2 ILE A 38 65.927 3.165 1.881 1.00 0.00 C ATOM 657 CD1 ILE A 38 65.936 1.119 -0.272 1.00 0.00 C ATOM 0 H ILE A 38 68.474 4.049 -1.143 1.00 0.00 H new ATOM 0 HA ILE A 38 65.641 3.432 -0.898 1.00 0.00 H new ATOM 0 HB ILE A 38 67.894 3.635 1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 38 68.003 1.735 -0.501 1.00 0.00 H new ATOM 0 HG13 ILE A 38 67.613 1.143 1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 38 66.309 2.580 2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 38 65.730 4.185 2.212 1.00 0.00 H new ATOM 0 HG23 ILE A 38 65.002 2.717 1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 38 66.131 0.098 -0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 38 65.180 1.109 0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 38 65.576 1.709 -1.115 1.00 0.00 H new ATOM 669 N THR A 39 66.783 6.373 -0.014 1.00 0.00 N ATOM 670 CA THR A 39 66.333 7.744 0.375 1.00 0.00 C ATOM 671 C THR A 39 65.292 8.202 -0.649 1.00 0.00 C ATOM 672 O THR A 39 64.248 8.725 -0.308 1.00 0.00 O ATOM 673 CB THR A 39 67.528 8.703 0.365 1.00 0.00 C ATOM 674 OG1 THR A 39 68.708 7.991 0.709 1.00 0.00 O ATOM 675 CG2 THR A 39 67.293 9.825 1.377 1.00 0.00 C ATOM 0 H THR A 39 67.767 6.297 -0.273 1.00 0.00 H new ATOM 0 HA THR A 39 65.904 7.736 1.377 1.00 0.00 H new ATOM 0 HB THR A 39 67.640 9.133 -0.630 1.00 0.00 H new ATOM 0 HG1 THR A 39 69.473 8.603 0.701 1.00 0.00 H new ATOM 0 HG21 THR A 39 68.144 10.506 1.369 1.00 0.00 H new ATOM 0 HG22 THR A 39 66.388 10.371 1.111 1.00 0.00 H new ATOM 0 HG23 THR A 39 67.179 9.398 2.374 1.00 0.00 H new ATOM 683 N HIS A 40 65.570 7.969 -1.907 1.00 0.00 N ATOM 684 CA HIS A 40 64.604 8.343 -2.982 1.00 0.00 C ATOM 685 C HIS A 40 63.403 7.395 -2.931 1.00 0.00 C ATOM 686 O HIS A 40 62.336 7.717 -3.410 1.00 0.00 O ATOM 687 CB HIS A 40 65.283 8.225 -4.348 1.00 0.00 C ATOM 688 CG HIS A 40 65.896 9.546 -4.721 1.00 0.00 C ATOM 689 ND1 HIS A 40 65.593 10.192 -5.909 1.00 0.00 N ATOM 690 CD2 HIS A 40 66.797 10.354 -4.074 1.00 0.00 C ATOM 691 CE1 HIS A 40 66.300 11.337 -5.940 1.00 0.00 C ATOM 692 NE2 HIS A 40 67.051 11.484 -4.845 1.00 0.00 N ATOM 0 H HIS A 40 66.431 7.533 -2.237 1.00 0.00 H new ATOM 0 HA HIS A 40 64.272 9.370 -2.831 1.00 0.00 H new ATOM 0 HB2 HIS A 40 66.051 7.452 -4.318 1.00 0.00 H new ATOM 0 HB3 HIS A 40 64.556 7.924 -5.102 1.00 0.00 H new ATOM 0 HD2 HIS A 40 67.241 10.145 -3.112 1.00 0.00 H new ATOM 0 HE1 HIS A 40 66.264 12.050 -6.751 1.00 0.00 H new ATOM 0 HE2 HIS A 40 67.676 12.258 -4.622 1.00 0.00 H new ATOM 700 N ILE A 41 63.568 6.232 -2.346 1.00 0.00 N ATOM 701 CA ILE A 41 62.441 5.263 -2.245 1.00 0.00 C ATOM 702 C ILE A 41 61.395 5.861 -1.293 1.00 0.00 C ATOM 703 O ILE A 41 60.223 5.876 -1.581 1.00 0.00 O ATOM 704 CB ILE A 41 63.016 3.910 -1.728 1.00 0.00 C ATOM 705 CG1 ILE A 41 62.973 2.857 -2.853 1.00 0.00 C ATOM 706 CG2 ILE A 41 62.260 3.359 -0.504 1.00 0.00 C ATOM 707 CD1 ILE A 41 64.380 2.641 -3.423 1.00 0.00 C ATOM 0 H ILE A 41 64.444 5.914 -1.932 1.00 0.00 H new ATOM 0 HA ILE A 41 61.959 5.077 -3.205 1.00 0.00 H new ATOM 0 HB ILE A 41 64.042 4.109 -1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 41 62.580 1.917 -2.467 1.00 0.00 H new ATOM 0 HG13 ILE A 41 62.298 3.185 -3.643 1.00 0.00 H new ATOM 0 HG21 ILE A 41 62.709 2.416 -0.193 1.00 0.00 H new ATOM 0 HG22 ILE A 41 62.320 4.077 0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 41 61.215 3.194 -0.766 1.00 0.00 H new ATOM 0 HD11 ILE A 41 64.340 1.896 -4.217 1.00 0.00 H new ATOM 0 HD12 ILE A 41 64.758 3.581 -3.826 1.00 0.00 H new ATOM 0 HD13 ILE A 41 65.044 2.293 -2.632 1.00 0.00 H new ATOM 719 N ALA A 42 61.826 6.354 -0.163 1.00 0.00 N ATOM 720 CA ALA A 42 60.874 6.948 0.820 1.00 0.00 C ATOM 721 C ALA A 42 60.192 8.150 0.186 1.00 0.00 C ATOM 722 O ALA A 42 58.979 8.222 0.128 1.00 0.00 O ATOM 723 CB ALA A 42 61.635 7.359 2.084 1.00 0.00 C ATOM 0 H ALA A 42 62.805 6.371 0.123 1.00 0.00 H new ATOM 0 HA ALA A 42 60.114 6.217 1.097 1.00 0.00 H new ATOM 0 HB1 ALA A 42 60.940 7.793 2.802 1.00 0.00 H new ATOM 0 HB2 ALA A 42 62.111 6.482 2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 42 62.397 8.095 1.827 1.00 0.00 H new ATOM 729 N ASN A 43 60.960 9.067 -0.334 1.00 0.00 N ATOM 730 CA ASN A 43 60.354 10.239 -1.022 1.00 0.00 C ATOM 731 C ASN A 43 59.573 9.738 -2.252 1.00 0.00 C ATOM 732 O ASN A 43 58.745 10.440 -2.801 1.00 0.00 O ATOM 733 CB ASN A 43 61.460 11.197 -1.471 1.00 0.00 C ATOM 734 CG ASN A 43 61.623 12.315 -0.438 1.00 0.00 C ATOM 735 OD1 ASN A 43 62.608 12.360 0.273 1.00 0.00 O ATOM 736 ND2 ASN A 43 60.694 13.225 -0.325 1.00 0.00 N ATOM 0 H ASN A 43 61.980 9.055 -0.312 1.00 0.00 H new ATOM 0 HA ASN A 43 59.682 10.764 -0.343 1.00 0.00 H new ATOM 0 HB2 ASN A 43 62.399 10.656 -1.587 1.00 0.00 H new ATOM 0 HB3 ASN A 43 61.214 11.621 -2.445 1.00 0.00 H new ATOM 0 HD21 ASN A 43 60.794 13.974 0.360 1.00 0.00 H new ATOM 0 HD22 ASN A 43 59.868 13.187 -0.922 1.00 0.00 H new ATOM 743 N GLN A 44 59.839 8.520 -2.687 1.00 0.00 N ATOM 744 CA GLN A 44 59.129 7.963 -3.872 1.00 0.00 C ATOM 745 C GLN A 44 57.700 7.555 -3.492 1.00 0.00 C ATOM 746 O GLN A 44 56.796 7.655 -4.302 1.00 0.00 O ATOM 747 CB GLN A 44 59.904 6.749 -4.408 1.00 0.00 C ATOM 748 CG GLN A 44 60.739 7.147 -5.632 1.00 0.00 C ATOM 749 CD GLN A 44 59.816 7.486 -6.808 1.00 0.00 C ATOM 750 OE1 GLN A 44 58.616 7.601 -6.648 1.00 0.00 O ATOM 751 NE2 GLN A 44 60.333 7.654 -7.994 1.00 0.00 N ATOM 0 H GLN A 44 60.523 7.893 -2.263 1.00 0.00 H new ATOM 0 HA GLN A 44 59.074 8.726 -4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 44 60.555 6.352 -3.629 1.00 0.00 H new ATOM 0 HB3 GLN A 44 59.208 5.955 -4.677 1.00 0.00 H new ATOM 0 HG2 GLN A 44 61.366 8.006 -5.391 1.00 0.00 H new ATOM 0 HG3 GLN A 44 61.408 6.331 -5.907 1.00 0.00 H new ATOM 0 HE21 GLN A 44 61.339 7.558 -8.130 1.00 0.00 H new ATOM 0 HE22 GLN A 44 59.731 7.881 -8.785 1.00 0.00 H new ATOM 760 N LEU A 45 57.477 7.107 -2.275 1.00 0.00 N ATOM 761 CA LEU A 45 56.085 6.709 -1.875 1.00 0.00 C ATOM 762 C LEU A 45 55.643 7.435 -0.584 1.00 0.00 C ATOM 763 O LEU A 45 54.691 7.044 0.063 1.00 0.00 O ATOM 764 CB LEU A 45 55.995 5.173 -1.742 1.00 0.00 C ATOM 765 CG LEU A 45 56.581 4.667 -0.428 1.00 0.00 C ATOM 766 CD1 LEU A 45 56.169 3.208 -0.235 1.00 0.00 C ATOM 767 CD2 LEU A 45 58.096 4.755 -0.497 1.00 0.00 C ATOM 0 H LEU A 45 58.188 7.001 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 45 55.391 7.019 -2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 45 54.952 4.866 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 45 56.522 4.708 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 45 56.215 5.269 0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 45 56.582 2.834 0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 45 55.082 3.138 -0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 45 56.549 2.610 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 45 58.524 4.395 0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 45 58.459 4.142 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 45 58.393 5.791 -0.657 1.00 0.00 H new ATOM 779 N GLY A 46 56.302 8.513 -0.241 1.00 0.00 N ATOM 780 CA GLY A 46 55.914 9.313 0.964 1.00 0.00 C ATOM 781 C GLY A 46 55.823 8.467 2.245 1.00 0.00 C ATOM 782 O GLY A 46 55.130 8.843 3.174 1.00 0.00 O ATOM 0 H GLY A 46 57.105 8.879 -0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 46 56.642 10.111 1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 46 54.951 9.790 0.782 1.00 0.00 H new ATOM 786 N LEU A 47 56.517 7.357 2.330 1.00 0.00 N ATOM 787 CA LEU A 47 56.455 6.544 3.593 1.00 0.00 C ATOM 788 C LEU A 47 57.700 6.843 4.444 1.00 0.00 C ATOM 789 O LEU A 47 58.571 7.591 4.042 1.00 0.00 O ATOM 790 CB LEU A 47 56.314 5.022 3.264 1.00 0.00 C ATOM 791 CG LEU A 47 57.642 4.242 3.362 1.00 0.00 C ATOM 792 CD1 LEU A 47 57.439 2.804 2.872 1.00 0.00 C ATOM 793 CD2 LEU A 47 58.725 4.911 2.516 1.00 0.00 C ATOM 0 H LEU A 47 57.115 6.981 1.594 1.00 0.00 H new ATOM 0 HA LEU A 47 55.572 6.820 4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 47 55.590 4.577 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 47 55.912 4.912 2.257 1.00 0.00 H new ATOM 0 HG LEU A 47 57.959 4.237 4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 47 58.380 2.259 2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 47 56.687 2.312 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 47 57.105 2.817 1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 47 59.653 4.345 2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 47 58.408 4.937 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 47 58.887 5.929 2.871 1.00 0.00 H new ATOM 805 N GLU A 48 57.792 6.245 5.600 1.00 0.00 N ATOM 806 CA GLU A 48 58.982 6.464 6.471 1.00 0.00 C ATOM 807 C GLU A 48 60.035 5.404 6.157 1.00 0.00 C ATOM 808 O GLU A 48 59.820 4.522 5.352 1.00 0.00 O ATOM 809 CB GLU A 48 58.579 6.337 7.942 1.00 0.00 C ATOM 810 CG GLU A 48 57.820 5.023 8.170 1.00 0.00 C ATOM 811 CD GLU A 48 56.327 5.308 8.354 1.00 0.00 C ATOM 812 OE1 GLU A 48 55.822 6.182 7.669 1.00 0.00 O ATOM 813 OE2 GLU A 48 55.716 4.646 9.177 1.00 0.00 O ATOM 0 H GLU A 48 57.090 5.610 5.981 1.00 0.00 H new ATOM 0 HA GLU A 48 59.383 7.461 6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 48 59.467 6.368 8.574 1.00 0.00 H new ATOM 0 HB3 GLU A 48 57.953 7.182 8.230 1.00 0.00 H new ATOM 0 HG2 GLU A 48 57.970 4.355 7.322 1.00 0.00 H new ATOM 0 HG3 GLU A 48 58.213 4.514 9.050 1.00 0.00 H new ATOM 820 N LYS A 49 61.160 5.463 6.808 1.00 0.00 N ATOM 821 CA LYS A 49 62.208 4.432 6.567 1.00 0.00 C ATOM 822 C LYS A 49 61.924 3.199 7.445 1.00 0.00 C ATOM 823 O LYS A 49 62.619 2.206 7.362 1.00 0.00 O ATOM 824 CB LYS A 49 63.581 5.005 6.916 1.00 0.00 C ATOM 825 CG LYS A 49 64.681 4.117 6.317 1.00 0.00 C ATOM 826 CD LYS A 49 65.783 3.889 7.356 1.00 0.00 C ATOM 827 CE LYS A 49 67.058 3.415 6.657 1.00 0.00 C ATOM 828 NZ LYS A 49 68.025 2.910 7.674 1.00 0.00 N ATOM 0 H LYS A 49 61.401 6.178 7.495 1.00 0.00 H new ATOM 0 HA LYS A 49 62.196 4.141 5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 49 63.670 6.021 6.531 1.00 0.00 H new ATOM 0 HB3 LYS A 49 63.697 5.063 7.998 1.00 0.00 H new ATOM 0 HG2 LYS A 49 64.260 3.162 6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 49 65.098 4.589 5.427 1.00 0.00 H new ATOM 0 HD2 LYS A 49 65.978 4.812 7.903 1.00 0.00 H new ATOM 0 HD3 LYS A 49 65.460 3.148 8.087 1.00 0.00 H new ATOM 0 HE2 LYS A 49 66.822 2.627 5.942 1.00 0.00 H new ATOM 0 HE3 LYS A 49 67.502 4.235 6.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 68.892 2.588 7.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 68.259 3.674 8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 67.599 2.116 8.193 1.00 0.00 H new ATOM 842 N ASP A 50 60.909 3.254 8.287 1.00 0.00 N ATOM 843 CA ASP A 50 60.596 2.092 9.164 1.00 0.00 C ATOM 844 C ASP A 50 59.693 1.103 8.425 1.00 0.00 C ATOM 845 O ASP A 50 59.868 -0.094 8.544 1.00 0.00 O ATOM 846 CB ASP A 50 59.892 2.589 10.436 1.00 0.00 C ATOM 847 CG ASP A 50 60.829 2.445 11.638 1.00 0.00 C ATOM 848 OD1 ASP A 50 60.804 1.396 12.261 1.00 0.00 O ATOM 849 OD2 ASP A 50 61.554 3.386 11.915 1.00 0.00 O ATOM 0 H ASP A 50 60.290 4.057 8.397 1.00 0.00 H new ATOM 0 HA ASP A 50 61.523 1.586 9.434 1.00 0.00 H new ATOM 0 HB2 ASP A 50 59.598 3.632 10.316 1.00 0.00 H new ATOM 0 HB3 ASP A 50 58.979 2.017 10.604 1.00 0.00 H new ATOM 854 N VAL A 51 58.744 1.577 7.649 1.00 0.00 N ATOM 855 CA VAL A 51 57.867 0.629 6.905 1.00 0.00 C ATOM 856 C VAL A 51 58.589 0.221 5.619 1.00 0.00 C ATOM 857 O VAL A 51 58.367 -0.851 5.085 1.00 0.00 O ATOM 858 CB VAL A 51 56.511 1.288 6.591 1.00 0.00 C ATOM 859 CG1 VAL A 51 56.712 2.549 5.747 1.00 0.00 C ATOM 860 CG2 VAL A 51 55.624 0.296 5.828 1.00 0.00 C ATOM 0 H VAL A 51 58.545 2.567 7.503 1.00 0.00 H new ATOM 0 HA VAL A 51 57.668 -0.256 7.510 1.00 0.00 H new ATOM 0 HB VAL A 51 56.030 1.566 7.529 1.00 0.00 H new ATOM 0 HG11 VAL A 51 55.744 3.002 5.534 1.00 0.00 H new ATOM 0 HG12 VAL A 51 57.332 3.258 6.295 1.00 0.00 H new ATOM 0 HG13 VAL A 51 57.203 2.285 4.810 1.00 0.00 H new ATOM 0 HG21 VAL A 51 54.664 0.762 5.606 1.00 0.00 H new ATOM 0 HG22 VAL A 51 56.114 0.012 4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 51 55.463 -0.592 6.439 1.00 0.00 H new ATOM 870 N VAL A 52 59.468 1.065 5.129 1.00 0.00 N ATOM 871 CA VAL A 52 60.219 0.727 3.893 1.00 0.00 C ATOM 872 C VAL A 52 61.312 -0.302 4.240 1.00 0.00 C ATOM 873 O VAL A 52 61.623 -1.180 3.456 1.00 0.00 O ATOM 874 CB VAL A 52 60.803 2.039 3.284 1.00 0.00 C ATOM 875 CG1 VAL A 52 62.300 2.219 3.586 1.00 0.00 C ATOM 876 CG2 VAL A 52 60.587 2.026 1.768 1.00 0.00 C ATOM 0 H VAL A 52 59.693 1.972 5.538 1.00 0.00 H new ATOM 0 HA VAL A 52 59.569 0.276 3.143 1.00 0.00 H new ATOM 0 HB VAL A 52 60.279 2.876 3.745 1.00 0.00 H new ATOM 0 HG11 VAL A 52 62.652 3.148 3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 52 62.452 2.256 4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 52 62.859 1.381 3.170 1.00 0.00 H new ATOM 0 HG21 VAL A 52 60.993 2.940 1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 52 61.094 1.163 1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 52 59.520 1.965 1.553 1.00 0.00 H new ATOM 886 N ARG A 53 61.900 -0.184 5.407 1.00 0.00 N ATOM 887 CA ARG A 53 62.979 -1.136 5.806 1.00 0.00 C ATOM 888 C ARG A 53 62.372 -2.463 6.278 1.00 0.00 C ATOM 889 O ARG A 53 62.949 -3.516 6.078 1.00 0.00 O ATOM 890 CB ARG A 53 63.811 -0.515 6.931 1.00 0.00 C ATOM 891 CG ARG A 53 65.182 -1.196 7.000 1.00 0.00 C ATOM 892 CD ARG A 53 65.202 -2.204 8.150 1.00 0.00 C ATOM 893 NE ARG A 53 65.092 -1.478 9.446 1.00 0.00 N ATOM 894 CZ ARG A 53 65.384 -2.087 10.563 1.00 0.00 C ATOM 895 NH1 ARG A 53 64.824 -3.231 10.847 1.00 0.00 N ATOM 896 NH2 ARG A 53 66.235 -1.552 11.396 1.00 0.00 N ATOM 0 H ARG A 53 61.677 0.532 6.099 1.00 0.00 H new ATOM 0 HA ARG A 53 63.617 -1.334 4.945 1.00 0.00 H new ATOM 0 HB2 ARG A 53 63.934 0.554 6.757 1.00 0.00 H new ATOM 0 HB3 ARG A 53 63.292 -0.625 7.883 1.00 0.00 H new ATOM 0 HG2 ARG A 53 65.395 -1.701 6.058 1.00 0.00 H new ATOM 0 HG3 ARG A 53 65.962 -0.449 7.145 1.00 0.00 H new ATOM 0 HD2 ARG A 53 64.378 -2.909 8.044 1.00 0.00 H new ATOM 0 HD3 ARG A 53 66.124 -2.785 8.123 1.00 0.00 H new ATOM 0 HE ARG A 53 64.788 -0.504 9.461 1.00 0.00 H new ATOM 0 HH11 ARG A 53 64.159 -3.649 10.196 1.00 0.00 H new ATOM 0 HH12 ARG A 53 65.052 -3.708 11.720 1.00 0.00 H new ATOM 0 HH21 ARG A 53 66.672 -0.658 11.174 1.00 0.00 H new ATOM 0 HH22 ARG A 53 66.463 -2.028 12.269 1.00 0.00 H new ATOM 910 N VAL A 54 61.216 -2.427 6.898 1.00 0.00 N ATOM 911 CA VAL A 54 60.583 -3.697 7.373 1.00 0.00 C ATOM 912 C VAL A 54 60.166 -4.527 6.161 1.00 0.00 C ATOM 913 O VAL A 54 60.424 -5.715 6.107 1.00 0.00 O ATOM 914 CB VAL A 54 59.364 -3.374 8.252 1.00 0.00 C ATOM 915 CG1 VAL A 54 58.645 -4.665 8.667 1.00 0.00 C ATOM 916 CG2 VAL A 54 59.836 -2.643 9.510 1.00 0.00 C ATOM 0 H VAL A 54 60.687 -1.578 7.094 1.00 0.00 H new ATOM 0 HA VAL A 54 61.295 -4.267 7.970 1.00 0.00 H new ATOM 0 HB VAL A 54 58.674 -2.749 7.684 1.00 0.00 H new ATOM 0 HG11 VAL A 54 57.784 -4.418 9.289 1.00 0.00 H new ATOM 0 HG12 VAL A 54 58.309 -5.197 7.777 1.00 0.00 H new ATOM 0 HG13 VAL A 54 59.330 -5.298 9.231 1.00 0.00 H new ATOM 0 HG21 VAL A 54 58.977 -2.410 10.139 1.00 0.00 H new ATOM 0 HG22 VAL A 54 60.528 -3.279 10.062 1.00 0.00 H new ATOM 0 HG23 VAL A 54 60.339 -1.719 9.226 1.00 0.00 H new ATOM 926 N TRP A 55 59.536 -3.919 5.183 1.00 0.00 N ATOM 927 CA TRP A 55 59.130 -4.699 3.980 1.00 0.00 C ATOM 928 C TRP A 55 60.400 -5.202 3.281 1.00 0.00 C ATOM 929 O TRP A 55 60.435 -6.320 2.804 1.00 0.00 O ATOM 930 CB TRP A 55 58.295 -3.823 3.016 1.00 0.00 C ATOM 931 CG TRP A 55 58.209 -4.486 1.663 1.00 0.00 C ATOM 932 CD1 TRP A 55 57.353 -5.482 1.310 1.00 0.00 C ATOM 933 CD2 TRP A 55 59.042 -4.238 0.495 1.00 0.00 C ATOM 934 NE1 TRP A 55 57.613 -5.842 0.000 1.00 0.00 N ATOM 935 CE2 TRP A 55 58.637 -5.105 -0.541 1.00 0.00 C ATOM 936 CE3 TRP A 55 60.097 -3.348 0.235 1.00 0.00 C ATOM 937 CZ2 TRP A 55 59.253 -5.095 -1.785 1.00 0.00 C ATOM 938 CZ3 TRP A 55 60.722 -3.337 -1.021 1.00 0.00 C ATOM 939 CH2 TRP A 55 60.303 -4.212 -2.028 1.00 0.00 C ATOM 0 H TRP A 55 59.290 -2.929 5.169 1.00 0.00 H new ATOM 0 HA TRP A 55 58.509 -5.543 4.281 1.00 0.00 H new ATOM 0 HB2 TRP A 55 57.294 -3.673 3.421 1.00 0.00 H new ATOM 0 HB3 TRP A 55 58.751 -2.838 2.919 1.00 0.00 H new ATOM 0 HD1 TRP A 55 56.597 -5.919 1.946 1.00 0.00 H new ATOM 0 HE1 TRP A 55 57.104 -6.569 -0.504 1.00 0.00 H new ATOM 0 HE3 TRP A 55 60.429 -2.668 1.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 58.920 -5.768 -2.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 61.532 -2.648 -1.211 1.00 0.00 H new ATOM 0 HH2 TRP A 55 60.792 -4.203 -2.991 1.00 0.00 H new ATOM 950 N PHE A 56 61.429 -4.387 3.198 1.00 0.00 N ATOM 951 CA PHE A 56 62.661 -4.853 2.503 1.00 0.00 C ATOM 952 C PHE A 56 63.521 -5.713 3.421 1.00 0.00 C ATOM 953 O PHE A 56 64.489 -6.300 2.976 1.00 0.00 O ATOM 954 CB PHE A 56 63.475 -3.675 1.942 1.00 0.00 C ATOM 955 CG PHE A 56 64.086 -4.077 0.606 1.00 0.00 C ATOM 956 CD1 PHE A 56 63.296 -4.710 -0.364 1.00 0.00 C ATOM 957 CD2 PHE A 56 65.438 -3.832 0.339 1.00 0.00 C ATOM 958 CE1 PHE A 56 63.841 -5.095 -1.581 1.00 0.00 C ATOM 959 CE2 PHE A 56 65.987 -4.223 -0.892 1.00 0.00 C ATOM 960 CZ PHE A 56 65.179 -4.855 -1.849 1.00 0.00 C ATOM 0 H PHE A 56 61.464 -3.440 3.575 1.00 0.00 H new ATOM 0 HA PHE A 56 62.343 -5.468 1.661 1.00 0.00 H new ATOM 0 HB2 PHE A 56 62.834 -2.803 1.814 1.00 0.00 H new ATOM 0 HB3 PHE A 56 64.260 -3.393 2.644 1.00 0.00 H new ATOM 0 HD1 PHE A 56 62.252 -4.900 -0.162 1.00 0.00 H new ATOM 0 HD2 PHE A 56 66.056 -3.344 1.078 1.00 0.00 H new ATOM 0 HE1 PHE A 56 63.222 -5.582 -2.320 1.00 0.00 H new ATOM 0 HE2 PHE A 56 67.030 -4.038 -1.102 1.00 0.00 H new ATOM 0 HZ PHE A 56 65.601 -5.155 -2.797 1.00 0.00 H new ATOM 970 N CYS A 57 63.161 -5.849 4.673 1.00 0.00 N ATOM 971 CA CYS A 57 63.950 -6.746 5.558 1.00 0.00 C ATOM 972 C CYS A 57 63.584 -8.173 5.154 1.00 0.00 C ATOM 973 O CYS A 57 64.417 -9.059 5.120 1.00 0.00 O ATOM 974 CB CYS A 57 63.591 -6.498 7.027 1.00 0.00 C ATOM 975 SG CYS A 57 65.072 -6.679 8.055 1.00 0.00 S ATOM 0 H CYS A 57 62.366 -5.384 5.112 1.00 0.00 H new ATOM 0 HA CYS A 57 65.020 -6.566 5.453 1.00 0.00 H new ATOM 0 HB2 CYS A 57 63.174 -5.498 7.146 1.00 0.00 H new ATOM 0 HB3 CYS A 57 62.825 -7.203 7.348 1.00 0.00 H new ATOM 0 HG CYS A 57 64.765 -6.466 9.300 1.00 0.00 H new ATOM 981 N ASN A 58 62.336 -8.379 4.808 1.00 0.00 N ATOM 982 CA ASN A 58 61.885 -9.723 4.356 1.00 0.00 C ATOM 983 C ASN A 58 62.225 -9.882 2.867 1.00 0.00 C ATOM 984 O ASN A 58 62.576 -10.957 2.418 1.00 0.00 O ATOM 985 CB ASN A 58 60.372 -9.850 4.553 1.00 0.00 C ATOM 986 CG ASN A 58 59.952 -11.312 4.384 1.00 0.00 C ATOM 987 OD1 ASN A 58 59.951 -12.070 5.334 1.00 0.00 O ATOM 988 ND2 ASN A 58 59.590 -11.742 3.206 1.00 0.00 N ATOM 0 H ASN A 58 61.608 -7.664 4.821 1.00 0.00 H new ATOM 0 HA ASN A 58 62.386 -10.498 4.937 1.00 0.00 H new ATOM 0 HB2 ASN A 58 60.093 -9.494 5.545 1.00 0.00 H new ATOM 0 HB3 ASN A 58 59.847 -9.225 3.830 1.00 0.00 H new ATOM 0 HD21 ASN A 58 59.306 -12.714 3.083 1.00 0.00 H new ATOM 0 HD22 ASN A 58 59.591 -11.106 2.409 1.00 0.00 H new ATOM 995 N ARG A 59 62.140 -8.813 2.101 1.00 0.00 N ATOM 996 CA ARG A 59 62.478 -8.903 0.644 1.00 0.00 C ATOM 997 C ARG A 59 63.983 -9.165 0.503 1.00 0.00 C ATOM 998 O ARG A 59 64.434 -9.695 -0.496 1.00 0.00 O ATOM 999 CB ARG A 59 62.096 -7.591 -0.089 1.00 0.00 C ATOM 1000 CG ARG A 59 61.103 -7.874 -1.222 1.00 0.00 C ATOM 1001 CD ARG A 59 61.694 -8.874 -2.227 1.00 0.00 C ATOM 1002 NE ARG A 59 62.801 -8.228 -2.985 1.00 0.00 N ATOM 1003 CZ ARG A 59 63.944 -8.843 -3.123 1.00 0.00 C ATOM 1004 NH1 ARG A 59 63.975 -10.076 -3.549 1.00 0.00 N ATOM 1005 NH2 ARG A 59 65.056 -8.225 -2.834 1.00 0.00 N ATOM 0 H ARG A 59 61.853 -7.889 2.423 1.00 0.00 H new ATOM 0 HA ARG A 59 61.913 -9.718 0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 59 61.657 -6.887 0.619 1.00 0.00 H new ATOM 0 HB3 ARG A 59 62.992 -7.120 -0.493 1.00 0.00 H new ATOM 0 HG2 ARG A 59 60.176 -8.272 -0.809 1.00 0.00 H new ATOM 0 HG3 ARG A 59 60.852 -6.944 -1.732 1.00 0.00 H new ATOM 0 HD2 ARG A 59 62.065 -9.755 -1.703 1.00 0.00 H new ATOM 0 HD3 ARG A 59 60.920 -9.214 -2.914 1.00 0.00 H new ATOM 0 HE ARG A 59 62.666 -7.305 -3.397 1.00 0.00 H new ATOM 0 HH11 ARG A 59 63.106 -10.560 -3.774 1.00 0.00 H new ATOM 0 HH12 ARG A 59 64.869 -10.556 -3.657 1.00 0.00 H new ATOM 0 HH21 ARG A 59 65.032 -7.261 -2.500 1.00 0.00 H new ATOM 0 HH22 ARG A 59 65.949 -8.705 -2.942 1.00 0.00 H new ATOM 1019 N ARG A 60 64.762 -8.815 1.504 1.00 0.00 N ATOM 1020 CA ARG A 60 66.229 -9.062 1.438 1.00 0.00 C ATOM 1021 C ARG A 60 66.513 -10.480 1.937 1.00 0.00 C ATOM 1022 O ARG A 60 67.458 -11.121 1.515 1.00 0.00 O ATOM 1023 CB ARG A 60 66.955 -8.058 2.335 1.00 0.00 C ATOM 1024 CG ARG A 60 67.284 -6.795 1.535 1.00 0.00 C ATOM 1025 CD ARG A 60 67.640 -5.658 2.497 1.00 0.00 C ATOM 1026 NE ARG A 60 69.122 -5.550 2.610 1.00 0.00 N ATOM 1027 CZ ARG A 60 69.651 -4.816 3.550 1.00 0.00 C ATOM 1028 NH1 ARG A 60 69.258 -4.956 4.787 1.00 0.00 N ATOM 1029 NH2 ARG A 60 70.575 -3.944 3.254 1.00 0.00 N ATOM 0 H ARG A 60 64.438 -8.369 2.362 1.00 0.00 H new ATOM 0 HA ARG A 60 66.578 -8.950 0.411 1.00 0.00 H new ATOM 0 HB2 ARG A 60 66.332 -7.805 3.193 1.00 0.00 H new ATOM 0 HB3 ARG A 60 67.871 -8.501 2.726 1.00 0.00 H new ATOM 0 HG2 ARG A 60 68.117 -6.987 0.858 1.00 0.00 H new ATOM 0 HG3 ARG A 60 66.432 -6.510 0.918 1.00 0.00 H new ATOM 0 HD2 ARG A 60 67.222 -4.718 2.137 1.00 0.00 H new ATOM 0 HD3 ARG A 60 67.202 -5.846 3.477 1.00 0.00 H new ATOM 0 HE ARG A 60 69.722 -6.049 1.953 1.00 0.00 H new ATOM 0 HH11 ARG A 60 68.537 -5.639 5.019 1.00 0.00 H new ATOM 0 HH12 ARG A 60 69.672 -4.382 5.522 1.00 0.00 H new ATOM 0 HH21 ARG A 60 70.884 -3.836 2.288 1.00 0.00 H new ATOM 0 HH22 ARG A 60 70.989 -3.370 3.989 1.00 0.00 H new ATOM 1043 N GLN A 61 65.700 -10.968 2.842 1.00 0.00 N ATOM 1044 CA GLN A 61 65.910 -12.340 3.390 1.00 0.00 C ATOM 1045 C GLN A 61 64.752 -13.251 2.962 1.00 0.00 C ATOM 1046 O GLN A 61 64.061 -13.824 3.786 1.00 0.00 O ATOM 1047 CB GLN A 61 65.971 -12.271 4.921 1.00 0.00 C ATOM 1048 CG GLN A 61 66.983 -11.205 5.353 1.00 0.00 C ATOM 1049 CD GLN A 61 68.387 -11.627 4.918 1.00 0.00 C ATOM 1050 OE1 GLN A 61 69.091 -10.868 4.282 1.00 0.00 O ATOM 1051 NE2 GLN A 61 68.827 -12.813 5.237 1.00 0.00 N ATOM 0 H GLN A 61 64.896 -10.470 3.225 1.00 0.00 H new ATOM 0 HA GLN A 61 66.846 -12.745 3.005 1.00 0.00 H new ATOM 0 HB2 GLN A 61 64.986 -12.034 5.323 1.00 0.00 H new ATOM 0 HB3 GLN A 61 66.256 -13.242 5.327 1.00 0.00 H new ATOM 0 HG2 GLN A 61 66.727 -10.244 4.908 1.00 0.00 H new ATOM 0 HG3 GLN A 61 66.950 -11.074 6.435 1.00 0.00 H new ATOM 0 HE21 GLN A 61 68.236 -13.450 5.771 1.00 0.00 H new ATOM 0 HE22 GLN A 61 69.762 -13.103 4.952 1.00 0.00 H new ATOM 1060 N LYS A 62 64.540 -13.395 1.678 1.00 0.00 N ATOM 1061 CA LYS A 62 63.434 -14.273 1.193 1.00 0.00 C ATOM 1062 C LYS A 62 63.870 -15.739 1.283 1.00 0.00 C ATOM 1063 O LYS A 62 63.050 -16.630 1.405 1.00 0.00 O ATOM 1064 CB LYS A 62 63.113 -13.931 -0.263 1.00 0.00 C ATOM 1065 CG LYS A 62 62.203 -12.703 -0.314 1.00 0.00 C ATOM 1066 CD LYS A 62 61.338 -12.760 -1.574 1.00 0.00 C ATOM 1067 CE LYS A 62 60.277 -13.851 -1.419 1.00 0.00 C ATOM 1068 NZ LYS A 62 59.082 -13.502 -2.239 1.00 0.00 N ATOM 0 H LYS A 62 65.086 -12.942 0.945 1.00 0.00 H new ATOM 0 HA LYS A 62 62.549 -14.115 1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 62 64.034 -13.737 -0.813 1.00 0.00 H new ATOM 0 HB3 LYS A 62 62.626 -14.777 -0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 62 61.570 -12.669 0.573 1.00 0.00 H new ATOM 0 HG3 LYS A 62 62.803 -11.793 -0.313 1.00 0.00 H new ATOM 0 HD2 LYS A 62 60.860 -11.795 -1.743 1.00 0.00 H new ATOM 0 HD3 LYS A 62 61.960 -12.965 -2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 62 60.680 -14.813 -1.736 1.00 0.00 H new ATOM 0 HE3 LYS A 62 59.995 -13.953 -0.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 58.360 -14.243 -2.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 58.694 -12.593 -1.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 59.357 -13.426 -3.239 1.00 0.00 H new ATOM 1082 N GLY A 63 65.155 -15.996 1.228 1.00 0.00 N ATOM 1083 CA GLY A 63 65.647 -17.403 1.313 1.00 0.00 C ATOM 1084 C GLY A 63 66.993 -17.517 0.596 1.00 0.00 C ATOM 1085 O GLY A 63 67.177 -18.358 -0.265 1.00 0.00 O ATOM 0 H GLY A 63 65.884 -15.289 1.128 1.00 0.00 H new ATOM 0 HA2 GLY A 63 65.752 -17.700 2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 63 64.923 -18.081 0.860 1.00 0.00 H new ATOM 1089 N LYS A 64 67.933 -16.676 0.945 1.00 0.00 N ATOM 1090 CA LYS A 64 69.272 -16.725 0.289 1.00 0.00 C ATOM 1091 C LYS A 64 70.348 -16.983 1.347 1.00 0.00 C ATOM 1092 O LYS A 64 71.467 -16.518 1.232 1.00 0.00 O ATOM 1093 CB LYS A 64 69.547 -15.390 -0.405 1.00 0.00 C ATOM 1094 CG LYS A 64 68.598 -15.226 -1.595 1.00 0.00 C ATOM 1095 CD LYS A 64 69.175 -14.198 -2.571 1.00 0.00 C ATOM 1096 CE LYS A 64 68.467 -14.320 -3.922 1.00 0.00 C ATOM 1097 NZ LYS A 64 66.996 -14.181 -3.727 1.00 0.00 N ATOM 0 H LYS A 64 67.829 -15.955 1.659 1.00 0.00 H new ATOM 0 HA LYS A 64 69.288 -17.528 -0.448 1.00 0.00 H new ATOM 0 HB2 LYS A 64 69.411 -14.568 0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 64 70.582 -15.351 -0.744 1.00 0.00 H new ATOM 0 HG2 LYS A 64 68.460 -16.183 -2.098 1.00 0.00 H new ATOM 0 HG3 LYS A 64 67.616 -14.903 -1.249 1.00 0.00 H new ATOM 0 HD2 LYS A 64 69.048 -13.192 -2.172 1.00 0.00 H new ATOM 0 HD3 LYS A 64 70.246 -14.360 -2.694 1.00 0.00 H new ATOM 0 HE2 LYS A 64 68.828 -13.551 -4.605 1.00 0.00 H new ATOM 0 HE3 LYS A 64 68.695 -15.283 -4.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 66.545 -13.959 -4.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 66.609 -15.073 -3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 66.806 -13.414 -3.050 1.00 0.00 H new ATOM 1111 N ARG A 65 70.016 -17.721 2.375 1.00 0.00 N ATOM 1112 CA ARG A 65 71.011 -18.017 3.446 1.00 0.00 C ATOM 1113 C ARG A 65 70.870 -19.484 3.872 1.00 0.00 C ATOM 1114 O ARG A 65 70.800 -19.799 5.046 1.00 0.00 O ATOM 1115 CB ARG A 65 70.754 -17.089 4.644 1.00 0.00 C ATOM 1116 CG ARG A 65 71.826 -15.993 4.693 1.00 0.00 C ATOM 1117 CD ARG A 65 72.913 -16.381 5.698 1.00 0.00 C ATOM 1118 NE ARG A 65 74.066 -15.447 5.569 1.00 0.00 N ATOM 1119 CZ ARG A 65 75.272 -15.856 5.855 1.00 0.00 C ATOM 1120 NH1 ARG A 65 75.480 -16.580 6.921 1.00 0.00 N ATOM 1121 NH2 ARG A 65 76.269 -15.539 5.075 1.00 0.00 N ATOM 0 H ARG A 65 69.094 -18.133 2.518 1.00 0.00 H new ATOM 0 HA ARG A 65 72.022 -17.849 3.076 1.00 0.00 H new ATOM 0 HB2 ARG A 65 69.765 -16.639 4.561 1.00 0.00 H new ATOM 0 HB3 ARG A 65 70.766 -17.664 5.570 1.00 0.00 H new ATOM 0 HG2 ARG A 65 72.264 -15.854 3.704 1.00 0.00 H new ATOM 0 HG3 ARG A 65 71.376 -15.042 4.978 1.00 0.00 H new ATOM 0 HD2 ARG A 65 72.515 -16.346 6.712 1.00 0.00 H new ATOM 0 HD3 ARG A 65 73.240 -17.405 5.519 1.00 0.00 H new ATOM 0 HE ARG A 65 73.913 -14.488 5.257 1.00 0.00 H new ATOM 0 HH11 ARG A 65 74.700 -16.826 7.530 1.00 0.00 H new ATOM 0 HH12 ARG A 65 76.422 -16.900 7.144 1.00 0.00 H new ATOM 0 HH21 ARG A 65 76.105 -14.972 4.243 1.00 0.00 H new ATOM 0 HH22 ARG A 65 77.212 -15.858 5.297 1.00 0.00 H new ATOM 1135 N SER A 66 70.827 -20.382 2.920 1.00 0.00 N ATOM 1136 CA SER A 66 70.689 -21.829 3.255 1.00 0.00 C ATOM 1137 C SER A 66 71.985 -22.565 2.910 1.00 0.00 C ATOM 1138 O SER A 66 72.338 -23.545 3.540 1.00 0.00 O ATOM 1139 CB SER A 66 69.534 -22.426 2.451 1.00 0.00 C ATOM 1140 OG SER A 66 68.308 -22.137 3.109 1.00 0.00 O ATOM 0 H SER A 66 70.882 -20.173 1.923 1.00 0.00 H new ATOM 0 HA SER A 66 70.488 -21.936 4.321 1.00 0.00 H new ATOM 0 HB2 SER A 66 69.525 -22.013 1.442 1.00 0.00 H new ATOM 0 HB3 SER A 66 69.662 -23.504 2.353 1.00 0.00 H new ATOM 0 HG SER A 66 67.564 -22.516 2.596 1.00 0.00 H new ATOM 1146 N SER A 67 72.696 -22.099 1.913 1.00 0.00 N ATOM 1147 CA SER A 67 73.972 -22.766 1.521 1.00 0.00 C ATOM 1148 C SER A 67 74.898 -21.745 0.857 1.00 0.00 C ATOM 1149 O SER A 67 74.491 -21.161 -0.134 1.00 0.00 O ATOM 1150 CB SER A 67 73.676 -23.902 0.541 1.00 0.00 C ATOM 1151 OG SER A 67 74.693 -24.891 0.646 1.00 0.00 O ATOM 1152 OXT SER A 67 75.999 -21.564 1.351 1.00 0.00 O ATOM 0 H SER A 67 72.446 -21.284 1.354 1.00 0.00 H new ATOM 0 HA SER A 67 74.457 -23.172 2.409 1.00 0.00 H new ATOM 0 HB2 SER A 67 72.702 -24.341 0.759 1.00 0.00 H new ATOM 0 HB3 SER A 67 73.631 -23.517 -0.478 1.00 0.00 H new ATOM 0 HG SER A 67 74.505 -25.621 0.020 1.00 0.00 H new TER 1158 SER A 67