USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 505 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00155 USER MOD Single : A 5 SER OG : rot 180:sc= -0.149 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -19:sc= -3.63! USER MOD Single : A 10 CYS SG : rot -42:sc= -1.2 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -2.14 K(o=-2.1,f=-6.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -50:sc= 0.762 USER MOD Single : A 36 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.32) USER MOD Single : A 37 GLN : amide:sc= -8.23! C(o=-8.2!,f=-12!) USER MOD Single : A 41 ASN : amide:sc= -0.187 K(o=-0.19,f=-1.6!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -170:sc= -0.0358 (180deg=-0.276) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 51 SER OG : rot 41:sc= 0.608 USER MOD Single : A 57 ASN : amide:sc= -0.0852 K(o=-0.085,f=-1.4!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.228 X(o=-0.23,f=-0.0034) USER MOD Single : A 68 SER OG : rot -57:sc= 0.00531 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.481 -12.916 16.159 1.00 0.00 N ATOM 2 CA GLY A 1 6.446 -11.949 15.669 1.00 0.00 C ATOM 3 C GLY A 1 6.199 -11.564 14.224 1.00 0.00 C ATOM 4 O GLY A 1 6.369 -12.381 13.319 1.00 0.00 O ATOM 0 H1 GLY A 1 5.693 -13.146 17.151 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.524 -12.515 16.094 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.534 -13.781 15.584 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.408 -11.055 16.291 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.450 -12.362 15.765 1.00 0.00 H new ATOM 8 N SER A 2 5.795 -10.316 14.006 1.00 0.00 N ATOM 9 CA SER A 2 5.518 -9.826 12.661 1.00 0.00 C ATOM 10 C SER A 2 6.394 -8.622 12.331 1.00 0.00 C ATOM 11 O SER A 2 6.996 -8.016 13.218 1.00 0.00 O ATOM 12 CB SER A 2 4.041 -9.450 12.526 1.00 0.00 C ATOM 13 OG SER A 2 3.235 -10.602 12.354 1.00 0.00 O ATOM 0 H SER A 2 5.652 -9.626 14.744 1.00 0.00 H new ATOM 0 HA SER A 2 5.747 -10.624 11.955 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.718 -8.906 13.414 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.909 -8.780 11.676 1.00 0.00 H new ATOM 0 HG SER A 2 2.296 -10.335 12.272 1.00 0.00 H new ATOM 19 N SER A 3 6.460 -8.280 11.048 1.00 0.00 N ATOM 20 CA SER A 3 7.265 -7.150 10.599 1.00 0.00 C ATOM 21 C SER A 3 6.500 -5.840 10.758 1.00 0.00 C ATOM 22 O SER A 3 5.324 -5.835 11.119 1.00 0.00 O ATOM 23 CB SER A 3 7.677 -7.339 9.137 1.00 0.00 C ATOM 24 OG SER A 3 8.800 -6.538 8.816 1.00 0.00 O ATOM 0 H SER A 3 5.966 -8.769 10.302 1.00 0.00 H new ATOM 0 HA SER A 3 8.160 -7.105 11.219 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.911 -8.388 8.954 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.843 -7.080 8.485 1.00 0.00 H new ATOM 0 HG SER A 3 9.044 -6.678 7.877 1.00 0.00 H new ATOM 30 N GLY A 4 7.177 -4.729 10.486 1.00 0.00 N ATOM 31 CA GLY A 4 6.547 -3.427 10.604 1.00 0.00 C ATOM 32 C GLY A 4 6.880 -2.739 11.913 1.00 0.00 C ATOM 33 O GLY A 4 6.133 -2.845 12.886 1.00 0.00 O ATOM 0 H GLY A 4 8.152 -4.707 10.186 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.865 -2.796 9.774 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.466 -3.541 10.521 1.00 0.00 H new ATOM 37 N SER A 5 8.005 -2.032 11.939 1.00 0.00 N ATOM 38 CA SER A 5 8.438 -1.328 13.140 1.00 0.00 C ATOM 39 C SER A 5 8.856 0.102 12.810 1.00 0.00 C ATOM 40 O SER A 5 8.414 1.053 13.454 1.00 0.00 O ATOM 41 CB SER A 5 9.601 -2.071 13.800 1.00 0.00 C ATOM 42 OG SER A 5 10.729 -2.118 12.944 1.00 0.00 O ATOM 0 H SER A 5 8.633 -1.932 11.142 1.00 0.00 H new ATOM 0 HA SER A 5 7.598 -1.292 13.834 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.870 -1.576 14.733 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.291 -3.085 14.054 1.00 0.00 H new ATOM 0 HG SER A 5 11.459 -2.597 13.390 1.00 0.00 H new ATOM 48 N SER A 6 9.710 0.245 11.802 1.00 0.00 N ATOM 49 CA SER A 6 10.190 1.558 11.388 1.00 0.00 C ATOM 50 C SER A 6 9.712 1.892 9.978 1.00 0.00 C ATOM 51 O SER A 6 9.528 1.005 9.146 1.00 0.00 O ATOM 52 CB SER A 6 11.718 1.607 11.445 1.00 0.00 C ATOM 53 OG SER A 6 12.177 1.671 12.785 1.00 0.00 O ATOM 0 H SER A 6 10.084 -0.532 11.257 1.00 0.00 H new ATOM 0 HA SER A 6 9.783 2.299 12.076 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.132 0.724 10.957 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.078 2.475 10.892 1.00 0.00 H new ATOM 0 HG SER A 6 13.157 1.700 12.794 1.00 0.00 H new ATOM 59 N GLY A 7 9.513 3.181 9.717 1.00 0.00 N ATOM 60 CA GLY A 7 9.058 3.611 8.408 1.00 0.00 C ATOM 61 C GLY A 7 7.587 3.323 8.182 1.00 0.00 C ATOM 62 O GLY A 7 7.017 2.399 8.762 1.00 0.00 O ATOM 0 H GLY A 7 9.659 3.934 10.389 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.237 4.681 8.298 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.646 3.109 7.639 1.00 0.00 H new ATOM 66 N PRO A 8 6.948 4.129 7.321 1.00 0.00 N ATOM 67 CA PRO A 8 5.525 3.977 7.001 1.00 0.00 C ATOM 68 C PRO A 8 5.246 2.720 6.184 1.00 0.00 C ATOM 69 O PRO A 8 5.786 2.546 5.091 1.00 0.00 O ATOM 70 CB PRO A 8 5.210 5.230 6.180 1.00 0.00 C ATOM 71 CG PRO A 8 6.516 5.630 5.585 1.00 0.00 C ATOM 72 CD PRO A 8 7.565 5.251 6.593 1.00 0.00 C ATOM 0 HA PRO A 8 4.914 3.874 7.898 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.470 5.022 5.407 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.801 6.022 6.807 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.685 5.121 4.636 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.540 6.700 5.381 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.497 4.954 6.111 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.801 6.081 7.259 1.00 0.00 H new ATOM 80 N CYS A 9 4.401 1.847 6.720 1.00 0.00 N ATOM 81 CA CYS A 9 4.050 0.605 6.040 1.00 0.00 C ATOM 82 C CYS A 9 2.558 0.316 6.170 1.00 0.00 C ATOM 83 O CYS A 9 1.844 1.005 6.901 1.00 0.00 O ATOM 84 CB CYS A 9 4.859 -0.560 6.612 1.00 0.00 C ATOM 85 SG CYS A 9 5.119 -1.920 5.449 1.00 0.00 S ATOM 0 H CYS A 9 3.946 1.976 7.624 1.00 0.00 H new ATOM 0 HA CYS A 9 4.288 0.719 4.983 1.00 0.00 H new ATOM 0 HB2 CYS A 9 5.829 -0.188 6.941 1.00 0.00 H new ATOM 0 HB3 CYS A 9 4.348 -0.944 7.495 1.00 0.00 H new ATOM 0 HG CYS A 9 4.249 -1.840 4.487 1.00 0.00 H new ATOM 91 N CYS A 10 2.094 -0.703 5.457 1.00 0.00 N ATOM 92 CA CYS A 10 0.686 -1.082 5.491 1.00 0.00 C ATOM 93 C CYS A 10 0.532 -2.598 5.540 1.00 0.00 C ATOM 94 O CYS A 10 1.488 -3.337 5.307 1.00 0.00 O ATOM 95 CB CYS A 10 -0.043 -0.522 4.269 1.00 0.00 C ATOM 96 SG CYS A 10 0.110 -1.545 2.785 1.00 0.00 S ATOM 0 H CYS A 10 2.672 -1.282 4.848 1.00 0.00 H new ATOM 0 HA CYS A 10 0.243 -0.661 6.394 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.100 -0.407 4.511 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.345 0.474 4.053 1.00 0.00 H new ATOM 0 HG CYS A 10 1.331 -1.979 2.681 1.00 0.00 H new ATOM 102 N ARG A 11 -0.678 -3.055 5.846 1.00 0.00 N ATOM 103 CA ARG A 11 -0.957 -4.484 5.929 1.00 0.00 C ATOM 104 C ARG A 11 -2.136 -4.860 5.036 1.00 0.00 C ATOM 105 O ARG A 11 -3.171 -4.194 5.043 1.00 0.00 O ATOM 106 CB ARG A 11 -1.251 -4.885 7.375 1.00 0.00 C ATOM 107 CG ARG A 11 -1.764 -6.308 7.521 1.00 0.00 C ATOM 108 CD ARG A 11 -1.909 -6.701 8.983 1.00 0.00 C ATOM 109 NE ARG A 11 -0.623 -7.028 9.592 1.00 0.00 N ATOM 110 CZ ARG A 11 -0.478 -7.356 10.871 1.00 0.00 C ATOM 111 NH1 ARG A 11 -1.534 -7.401 11.671 1.00 0.00 N ATOM 112 NH2 ARG A 11 0.726 -7.639 11.352 1.00 0.00 N ATOM 0 H ARG A 11 -1.481 -2.457 6.041 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.074 -5.022 5.583 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.342 -4.773 7.966 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.988 -4.198 7.791 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.728 -6.401 7.021 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.079 -6.995 7.025 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.373 -5.883 9.534 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.577 -7.559 9.063 1.00 0.00 H new ATOM 0 HE ARG A 11 0.210 -7.003 9.003 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.461 -7.183 11.305 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.420 -7.653 12.653 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.541 -7.605 10.739 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.837 -7.891 12.334 1.00 0.00 H new ATOM 126 N ALA A 12 -1.971 -5.932 4.267 1.00 0.00 N ATOM 127 CA ALA A 12 -3.021 -6.397 3.370 1.00 0.00 C ATOM 128 C ALA A 12 -4.000 -7.311 4.099 1.00 0.00 C ATOM 129 O ALA A 12 -3.595 -8.207 4.840 1.00 0.00 O ATOM 130 CB ALA A 12 -2.413 -7.117 2.175 1.00 0.00 C ATOM 0 H ALA A 12 -1.120 -6.494 4.248 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.573 -5.527 3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.209 -7.459 1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.759 -6.434 1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.836 -7.974 2.522 1.00 0.00 H new ATOM 136 N LEU A 13 -5.291 -7.079 3.884 1.00 0.00 N ATOM 137 CA LEU A 13 -6.329 -7.881 4.522 1.00 0.00 C ATOM 138 C LEU A 13 -6.874 -8.931 3.559 1.00 0.00 C ATOM 139 O LEU A 13 -7.321 -9.999 3.977 1.00 0.00 O ATOM 140 CB LEU A 13 -7.466 -6.983 5.012 1.00 0.00 C ATOM 141 CG LEU A 13 -7.051 -5.765 5.837 1.00 0.00 C ATOM 142 CD1 LEU A 13 -8.235 -4.835 6.049 1.00 0.00 C ATOM 143 CD2 LEU A 13 -6.466 -6.200 7.173 1.00 0.00 C ATOM 0 H LEU A 13 -5.643 -6.342 3.273 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.885 -8.393 5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.027 -6.635 4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.147 -7.587 5.611 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.283 -5.222 5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.920 -3.974 6.638 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.609 -4.496 5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.026 -5.367 6.578 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.176 -5.320 7.747 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.212 -6.767 7.730 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.590 -6.825 7.000 1.00 0.00 H new ATOM 155 N TYR A 14 -6.831 -8.621 2.268 1.00 0.00 N ATOM 156 CA TYR A 14 -7.321 -9.537 1.245 1.00 0.00 C ATOM 157 C TYR A 14 -6.306 -9.686 0.116 1.00 0.00 C ATOM 158 O TYR A 14 -5.244 -9.063 0.135 1.00 0.00 O ATOM 159 CB TYR A 14 -8.656 -9.043 0.684 1.00 0.00 C ATOM 160 CG TYR A 14 -9.825 -9.267 1.616 1.00 0.00 C ATOM 161 CD1 TYR A 14 -10.154 -8.330 2.587 1.00 0.00 C ATOM 162 CD2 TYR A 14 -10.599 -10.417 1.526 1.00 0.00 C ATOM 163 CE1 TYR A 14 -11.221 -8.531 3.442 1.00 0.00 C ATOM 164 CE2 TYR A 14 -11.669 -10.626 2.375 1.00 0.00 C ATOM 165 CZ TYR A 14 -11.975 -9.680 3.331 1.00 0.00 C ATOM 166 OH TYR A 14 -13.039 -9.885 4.180 1.00 0.00 O ATOM 0 H TYR A 14 -6.462 -7.742 1.905 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.468 -10.513 1.708 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.576 -7.978 0.464 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.853 -9.550 -0.261 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.566 -7.429 2.675 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.360 -11.160 0.780 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.463 -7.793 4.192 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.262 -11.525 2.291 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.466 -10.742 3.969 1.00 0.00 H new ATOM 176 N ASP A 15 -6.641 -10.515 -0.866 1.00 0.00 N ATOM 177 CA ASP A 15 -5.761 -10.746 -2.006 1.00 0.00 C ATOM 178 C ASP A 15 -6.278 -10.025 -3.247 1.00 0.00 C ATOM 179 O ASP A 15 -7.486 -9.913 -3.454 1.00 0.00 O ATOM 180 CB ASP A 15 -5.637 -12.245 -2.286 1.00 0.00 C ATOM 181 CG ASP A 15 -4.978 -12.995 -1.145 1.00 0.00 C ATOM 182 OD1 ASP A 15 -5.485 -12.907 -0.007 1.00 0.00 O ATOM 183 OD2 ASP A 15 -3.955 -13.668 -1.389 1.00 0.00 O ATOM 0 H ASP A 15 -7.516 -11.039 -0.896 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.777 -10.347 -1.760 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.628 -12.661 -2.466 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.058 -12.395 -3.197 1.00 0.00 H new ATOM 188 N PHE A 16 -5.355 -9.536 -4.068 1.00 0.00 N ATOM 189 CA PHE A 16 -5.717 -8.824 -5.288 1.00 0.00 C ATOM 190 C PHE A 16 -4.745 -9.150 -6.418 1.00 0.00 C ATOM 191 O PHE A 16 -3.609 -9.555 -6.175 1.00 0.00 O ATOM 192 CB PHE A 16 -5.735 -7.315 -5.036 1.00 0.00 C ATOM 193 CG PHE A 16 -5.738 -6.497 -6.296 1.00 0.00 C ATOM 194 CD1 PHE A 16 -6.864 -6.445 -7.101 1.00 0.00 C ATOM 195 CD2 PHE A 16 -4.615 -5.779 -6.674 1.00 0.00 C ATOM 196 CE1 PHE A 16 -6.869 -5.694 -8.261 1.00 0.00 C ATOM 197 CE2 PHE A 16 -4.614 -5.025 -7.832 1.00 0.00 C ATOM 198 CZ PHE A 16 -5.743 -4.982 -8.627 1.00 0.00 C ATOM 0 H PHE A 16 -4.351 -9.620 -3.911 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.714 -9.149 -5.586 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.617 -7.064 -4.447 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.865 -7.044 -4.438 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.748 -6.998 -6.819 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.730 -5.809 -6.056 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -7.753 -5.664 -8.881 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.732 -4.470 -8.115 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.745 -4.393 -9.532 1.00 0.00 H new ATOM 208 N GLU A 17 -5.202 -8.972 -7.654 1.00 0.00 N ATOM 209 CA GLU A 17 -4.373 -9.249 -8.821 1.00 0.00 C ATOM 210 C GLU A 17 -4.307 -8.034 -9.742 1.00 0.00 C ATOM 211 O GLU A 17 -5.274 -7.290 -9.900 1.00 0.00 O ATOM 212 CB GLU A 17 -4.920 -10.455 -9.588 1.00 0.00 C ATOM 213 CG GLU A 17 -6.332 -10.254 -10.111 1.00 0.00 C ATOM 214 CD GLU A 17 -6.896 -11.502 -10.762 1.00 0.00 C ATOM 215 OE1 GLU A 17 -6.105 -12.286 -11.327 1.00 0.00 O ATOM 216 OE2 GLU A 17 -8.129 -11.694 -10.707 1.00 0.00 O ATOM 0 H GLU A 17 -6.141 -8.638 -7.872 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.365 -9.475 -8.473 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.258 -10.672 -10.427 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.904 -11.328 -8.935 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.981 -9.953 -9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.335 -9.438 -10.834 1.00 0.00 H new ATOM 223 N PRO A 18 -3.137 -7.828 -10.364 1.00 0.00 N ATOM 224 CA PRO A 18 -2.915 -6.705 -11.280 1.00 0.00 C ATOM 225 C PRO A 18 -3.693 -6.856 -12.583 1.00 0.00 C ATOM 226 O PRO A 18 -3.827 -7.960 -13.111 1.00 0.00 O ATOM 227 CB PRO A 18 -1.409 -6.757 -11.548 1.00 0.00 C ATOM 228 CG PRO A 18 -1.032 -8.179 -11.314 1.00 0.00 C ATOM 229 CD PRO A 18 -1.940 -8.675 -10.223 1.00 0.00 C ATOM 0 HA PRO A 18 -3.254 -5.760 -10.855 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.177 -6.449 -12.567 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.865 -6.088 -10.881 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.155 -8.769 -12.222 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.014 -8.262 -11.019 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.178 -9.731 -10.348 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.484 -8.565 -9.239 1.00 0.00 H new ATOM 237 N GLU A 19 -4.204 -5.741 -13.095 1.00 0.00 N ATOM 238 CA GLU A 19 -4.969 -5.752 -14.336 1.00 0.00 C ATOM 239 C GLU A 19 -4.166 -5.132 -15.476 1.00 0.00 C ATOM 240 O GLU A 19 -4.210 -5.606 -16.610 1.00 0.00 O ATOM 241 CB GLU A 19 -6.287 -4.996 -14.155 1.00 0.00 C ATOM 242 CG GLU A 19 -7.377 -5.822 -13.494 1.00 0.00 C ATOM 243 CD GLU A 19 -7.634 -7.132 -14.213 1.00 0.00 C ATOM 244 OE1 GLU A 19 -7.957 -7.092 -15.419 1.00 0.00 O ATOM 245 OE2 GLU A 19 -7.512 -8.196 -13.571 1.00 0.00 O ATOM 0 H GLU A 19 -4.102 -4.819 -12.670 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.186 -6.790 -14.590 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.105 -4.104 -13.556 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.639 -4.659 -15.130 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.096 -6.028 -12.461 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.299 -5.242 -13.463 1.00 0.00 H new ATOM 252 N ASN A 20 -3.433 -4.067 -15.165 1.00 0.00 N ATOM 253 CA ASN A 20 -2.621 -3.380 -16.162 1.00 0.00 C ATOM 254 C ASN A 20 -1.146 -3.405 -15.773 1.00 0.00 C ATOM 255 O ASN A 20 -0.773 -3.985 -14.755 1.00 0.00 O ATOM 256 CB ASN A 20 -3.093 -1.934 -16.327 1.00 0.00 C ATOM 257 CG ASN A 20 -3.554 -1.324 -15.017 1.00 0.00 C ATOM 258 OD1 ASN A 20 -4.433 -1.862 -14.344 1.00 0.00 O ATOM 259 ND2 ASN A 20 -2.960 -0.195 -14.649 1.00 0.00 N ATOM 0 H ASN A 20 -3.385 -3.662 -14.230 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.737 -3.903 -17.111 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.281 -1.334 -16.738 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.910 -1.901 -17.048 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -3.228 0.261 -13.777 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.236 0.216 -15.238 1.00 0.00 H new ATOM 266 N GLU A 21 -0.313 -2.770 -16.592 1.00 0.00 N ATOM 267 CA GLU A 21 1.121 -2.720 -16.333 1.00 0.00 C ATOM 268 C GLU A 21 1.419 -1.909 -15.075 1.00 0.00 C ATOM 269 O GLU A 21 2.357 -2.209 -14.338 1.00 0.00 O ATOM 270 CB GLU A 21 1.857 -2.113 -17.530 1.00 0.00 C ATOM 271 CG GLU A 21 1.314 -0.759 -17.955 1.00 0.00 C ATOM 272 CD GLU A 21 2.130 -0.126 -19.066 1.00 0.00 C ATOM 273 OE1 GLU A 21 1.864 -0.433 -20.247 1.00 0.00 O ATOM 274 OE2 GLU A 21 3.034 0.676 -18.754 1.00 0.00 O ATOM 0 H GLU A 21 -0.606 -2.284 -17.439 1.00 0.00 H new ATOM 0 HA GLU A 21 1.472 -3.740 -16.178 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.913 -2.010 -17.282 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.793 -2.802 -18.373 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.282 -0.873 -18.287 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.300 -0.091 -17.094 1.00 0.00 H new ATOM 281 N GLY A 22 0.611 -0.880 -14.836 1.00 0.00 N ATOM 282 CA GLY A 22 0.804 -0.042 -13.667 1.00 0.00 C ATOM 283 C GLY A 22 -0.019 -0.503 -12.481 1.00 0.00 C ATOM 284 O GLY A 22 -0.805 0.265 -11.927 1.00 0.00 O ATOM 0 H GLY A 22 -0.173 -0.612 -15.431 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.859 -0.041 -13.395 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.537 0.986 -13.913 1.00 0.00 H new ATOM 288 N GLU A 23 0.162 -1.761 -12.091 1.00 0.00 N ATOM 289 CA GLU A 23 -0.573 -2.323 -10.964 1.00 0.00 C ATOM 290 C GLU A 23 0.333 -3.205 -10.109 1.00 0.00 C ATOM 291 O GLU A 23 1.344 -3.721 -10.585 1.00 0.00 O ATOM 292 CB GLU A 23 -1.771 -3.135 -11.461 1.00 0.00 C ATOM 293 CG GLU A 23 -2.983 -2.284 -11.802 1.00 0.00 C ATOM 294 CD GLU A 23 -3.862 -2.011 -10.598 1.00 0.00 C ATOM 295 OE1 GLU A 23 -3.335 -2.019 -9.465 1.00 0.00 O ATOM 296 OE2 GLU A 23 -5.077 -1.790 -10.787 1.00 0.00 O ATOM 0 H GLU A 23 0.810 -2.409 -12.538 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.932 -1.497 -10.350 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.475 -3.701 -12.344 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.050 -3.860 -10.697 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.649 -1.337 -12.226 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.571 -2.787 -12.570 1.00 0.00 H new ATOM 303 N LEU A 24 -0.036 -3.371 -8.844 1.00 0.00 N ATOM 304 CA LEU A 24 0.742 -4.189 -7.921 1.00 0.00 C ATOM 305 C LEU A 24 -0.165 -5.109 -7.109 1.00 0.00 C ATOM 306 O LEU A 24 -0.860 -4.664 -6.197 1.00 0.00 O ATOM 307 CB LEU A 24 1.556 -3.299 -6.980 1.00 0.00 C ATOM 308 CG LEU A 24 2.329 -4.019 -5.875 1.00 0.00 C ATOM 309 CD1 LEU A 24 3.636 -4.578 -6.414 1.00 0.00 C ATOM 310 CD2 LEU A 24 2.590 -3.078 -4.707 1.00 0.00 C ATOM 0 H LEU A 24 -0.870 -2.950 -8.434 1.00 0.00 H new ATOM 0 HA LEU A 24 1.422 -4.806 -8.508 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.265 -2.726 -7.577 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.879 -2.582 -6.514 1.00 0.00 H new ATOM 0 HG LEU A 24 1.723 -4.851 -5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.172 -5.087 -5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.426 -5.285 -7.216 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.249 -3.763 -6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.141 -3.607 -3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.176 -2.225 -5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.640 -2.727 -4.303 1.00 0.00 H new ATOM 322 N GLY A 25 -0.151 -6.395 -7.448 1.00 0.00 N ATOM 323 CA GLY A 25 -0.975 -7.357 -6.740 1.00 0.00 C ATOM 324 C GLY A 25 -0.448 -7.661 -5.352 1.00 0.00 C ATOM 325 O GLY A 25 0.749 -7.536 -5.093 1.00 0.00 O ATOM 0 H GLY A 25 0.416 -6.787 -8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.992 -6.973 -6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.026 -8.281 -7.316 1.00 0.00 H new ATOM 329 N PHE A 26 -1.344 -8.060 -4.455 1.00 0.00 N ATOM 330 CA PHE A 26 -0.963 -8.381 -3.084 1.00 0.00 C ATOM 331 C PHE A 26 -1.671 -9.644 -2.604 1.00 0.00 C ATOM 332 O PHE A 26 -2.458 -10.245 -3.336 1.00 0.00 O ATOM 333 CB PHE A 26 -1.295 -7.212 -2.154 1.00 0.00 C ATOM 334 CG PHE A 26 -2.722 -6.755 -2.251 1.00 0.00 C ATOM 335 CD1 PHE A 26 -3.761 -7.607 -1.913 1.00 0.00 C ATOM 336 CD2 PHE A 26 -3.025 -5.473 -2.681 1.00 0.00 C ATOM 337 CE1 PHE A 26 -5.076 -7.190 -2.001 1.00 0.00 C ATOM 338 CE2 PHE A 26 -4.338 -5.050 -2.771 1.00 0.00 C ATOM 339 CZ PHE A 26 -5.365 -5.910 -2.431 1.00 0.00 C ATOM 0 H PHE A 26 -2.339 -8.169 -4.653 1.00 0.00 H new ATOM 0 HA PHE A 26 0.112 -8.559 -3.064 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.085 -7.506 -1.125 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.637 -6.375 -2.387 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.541 -8.609 -1.577 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.227 -4.797 -2.949 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.876 -7.864 -1.734 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.561 -4.048 -3.107 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.391 -5.582 -2.501 1.00 0.00 H new ATOM 349 N LYS A 27 -1.385 -10.042 -1.369 1.00 0.00 N ATOM 350 CA LYS A 27 -1.993 -11.234 -0.789 1.00 0.00 C ATOM 351 C LYS A 27 -2.203 -11.061 0.712 1.00 0.00 C ATOM 352 O LYS A 27 -1.384 -10.448 1.396 1.00 0.00 O ATOM 353 CB LYS A 27 -1.117 -12.460 -1.054 1.00 0.00 C ATOM 354 CG LYS A 27 -1.042 -12.847 -2.521 1.00 0.00 C ATOM 355 CD LYS A 27 0.083 -12.116 -3.234 1.00 0.00 C ATOM 356 CE LYS A 27 -0.160 -12.048 -4.734 1.00 0.00 C ATOM 357 NZ LYS A 27 0.750 -11.075 -5.399 1.00 0.00 N ATOM 0 H LYS A 27 -0.736 -9.556 -0.750 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.965 -11.382 -1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.110 -12.263 -0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.505 -13.304 -0.483 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.890 -13.923 -2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.991 -12.619 -3.007 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.174 -11.107 -2.833 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.028 -12.623 -3.040 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.016 -13.036 -5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.195 -11.764 -4.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.553 -11.058 -6.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.595 -10.127 -5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.738 -11.360 -5.242 1.00 0.00 H new ATOM 371 N GLU A 28 -3.305 -11.607 1.218 1.00 0.00 N ATOM 372 CA GLU A 28 -3.620 -11.513 2.639 1.00 0.00 C ATOM 373 C GLU A 28 -2.379 -11.765 3.489 1.00 0.00 C ATOM 374 O GLU A 28 -1.619 -12.699 3.237 1.00 0.00 O ATOM 375 CB GLU A 28 -4.716 -12.515 3.008 1.00 0.00 C ATOM 376 CG GLU A 28 -5.107 -12.476 4.475 1.00 0.00 C ATOM 377 CD GLU A 28 -6.231 -13.439 4.806 1.00 0.00 C ATOM 378 OE1 GLU A 28 -6.078 -14.647 4.526 1.00 0.00 O ATOM 379 OE2 GLU A 28 -7.263 -12.986 5.343 1.00 0.00 O ATOM 0 H GLU A 28 -3.994 -12.118 0.666 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.978 -10.503 2.840 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.598 -12.316 2.400 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.377 -13.520 2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.237 -12.716 5.085 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.412 -11.463 4.739 1.00 0.00 H new ATOM 386 N GLY A 29 -2.180 -10.923 4.499 1.00 0.00 N ATOM 387 CA GLY A 29 -1.029 -11.070 5.372 1.00 0.00 C ATOM 388 C GLY A 29 0.199 -10.361 4.836 1.00 0.00 C ATOM 389 O GLY A 29 1.014 -9.851 5.605 1.00 0.00 O ATOM 0 H GLY A 29 -2.795 -10.142 4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.272 -10.674 6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.806 -12.129 5.500 1.00 0.00 H new ATOM 393 N ASP A 30 0.333 -10.331 3.515 1.00 0.00 N ATOM 394 CA ASP A 30 1.472 -9.680 2.877 1.00 0.00 C ATOM 395 C ASP A 30 1.557 -8.212 3.284 1.00 0.00 C ATOM 396 O ASP A 30 0.577 -7.473 3.185 1.00 0.00 O ATOM 397 CB ASP A 30 1.365 -9.795 1.356 1.00 0.00 C ATOM 398 CG ASP A 30 1.324 -11.235 0.885 1.00 0.00 C ATOM 399 OD1 ASP A 30 0.722 -12.073 1.589 1.00 0.00 O ATOM 400 OD2 ASP A 30 1.895 -11.525 -0.187 1.00 0.00 O ATOM 0 H ASP A 30 -0.332 -10.750 2.865 1.00 0.00 H new ATOM 0 HA ASP A 30 2.380 -10.183 3.209 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.466 -9.280 1.018 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.214 -9.289 0.896 1.00 0.00 H new ATOM 405 N ILE A 31 2.733 -7.798 3.743 1.00 0.00 N ATOM 406 CA ILE A 31 2.945 -6.419 4.165 1.00 0.00 C ATOM 407 C ILE A 31 3.585 -5.596 3.052 1.00 0.00 C ATOM 408 O ILE A 31 4.634 -5.961 2.522 1.00 0.00 O ATOM 409 CB ILE A 31 3.834 -6.345 5.420 1.00 0.00 C ATOM 410 CG1 ILE A 31 3.242 -7.198 6.543 1.00 0.00 C ATOM 411 CG2 ILE A 31 3.993 -4.901 5.872 1.00 0.00 C ATOM 412 CD1 ILE A 31 1.943 -6.653 7.095 1.00 0.00 C ATOM 0 H ILE A 31 3.553 -8.398 3.832 1.00 0.00 H new ATOM 0 HA ILE A 31 1.964 -6.006 4.400 1.00 0.00 H new ATOM 0 HB ILE A 31 4.820 -6.739 5.172 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.074 -8.208 6.171 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.968 -7.273 7.352 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.624 -4.865 6.760 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.455 -4.319 5.075 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.014 -4.483 6.105 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.581 -7.308 7.887 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.110 -5.654 7.498 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.201 -6.604 6.298 1.00 0.00 H new ATOM 424 N ILE A 32 2.947 -4.483 2.705 1.00 0.00 N ATOM 425 CA ILE A 32 3.456 -3.607 1.658 1.00 0.00 C ATOM 426 C ILE A 32 3.929 -2.277 2.235 1.00 0.00 C ATOM 427 O ILE A 32 3.263 -1.684 3.085 1.00 0.00 O ATOM 428 CB ILE A 32 2.387 -3.335 0.582 1.00 0.00 C ATOM 429 CG1 ILE A 32 1.785 -4.652 0.087 1.00 0.00 C ATOM 430 CG2 ILE A 32 2.988 -2.553 -0.576 1.00 0.00 C ATOM 431 CD1 ILE A 32 0.368 -4.514 -0.425 1.00 0.00 C ATOM 0 H ILE A 32 2.077 -4.167 3.134 1.00 0.00 H new ATOM 0 HA ILE A 32 4.300 -4.122 1.199 1.00 0.00 H new ATOM 0 HB ILE A 32 1.591 -2.736 1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.413 -5.053 -0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.800 -5.377 0.900 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.221 -2.369 -1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.374 -1.601 -0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.801 -3.128 -1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.006 -5.486 -0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.273 -4.143 0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.349 -3.813 -1.260 1.00 0.00 H new ATOM 443 N THR A 33 5.082 -1.811 1.767 1.00 0.00 N ATOM 444 CA THR A 33 5.645 -0.551 2.236 1.00 0.00 C ATOM 445 C THR A 33 4.945 0.638 1.588 1.00 0.00 C ATOM 446 O THR A 33 4.190 0.480 0.627 1.00 0.00 O ATOM 447 CB THR A 33 7.155 -0.466 1.943 1.00 0.00 C ATOM 448 OG1 THR A 33 7.793 -1.696 2.302 1.00 0.00 O ATOM 449 CG2 THR A 33 7.791 0.684 2.708 1.00 0.00 C ATOM 0 H THR A 33 5.645 -2.288 1.063 1.00 0.00 H new ATOM 0 HA THR A 33 5.490 -0.517 3.314 1.00 0.00 H new ATOM 0 HB THR A 33 7.286 -0.287 0.876 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.752 -1.635 2.111 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.857 0.724 2.485 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.323 1.622 2.410 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.650 0.532 3.778 1.00 0.00 H new ATOM 457 N LEU A 34 5.201 1.829 2.117 1.00 0.00 N ATOM 458 CA LEU A 34 4.595 3.047 1.589 1.00 0.00 C ATOM 459 C LEU A 34 5.660 4.094 1.278 1.00 0.00 C ATOM 460 O LEU A 34 6.650 4.222 2.000 1.00 0.00 O ATOM 461 CB LEU A 34 3.585 3.613 2.589 1.00 0.00 C ATOM 462 CG LEU A 34 2.408 2.702 2.942 1.00 0.00 C ATOM 463 CD1 LEU A 34 1.780 3.128 4.260 1.00 0.00 C ATOM 464 CD2 LEU A 34 1.372 2.713 1.827 1.00 0.00 C ATOM 0 H LEU A 34 5.824 1.978 2.911 1.00 0.00 H new ATOM 0 HA LEU A 34 4.078 2.794 0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.115 3.862 3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.189 4.546 2.187 1.00 0.00 H new ATOM 0 HG LEU A 34 2.782 1.684 3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.944 2.469 4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.524 3.068 5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.421 4.154 4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.542 2.059 2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.003 3.728 1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.828 2.359 0.903 1.00 0.00 H new ATOM 476 N THR A 35 5.450 4.843 0.200 1.00 0.00 N ATOM 477 CA THR A 35 6.390 5.879 -0.206 1.00 0.00 C ATOM 478 C THR A 35 5.666 7.178 -0.540 1.00 0.00 C ATOM 479 O THR A 35 6.035 8.248 -0.057 1.00 0.00 O ATOM 480 CB THR A 35 7.220 5.438 -1.426 1.00 0.00 C ATOM 481 OG1 THR A 35 6.363 5.247 -2.558 1.00 0.00 O ATOM 482 CG2 THR A 35 7.974 4.150 -1.131 1.00 0.00 C ATOM 0 H THR A 35 4.636 4.751 -0.408 1.00 0.00 H new ATOM 0 HA THR A 35 7.060 6.046 0.638 1.00 0.00 H new ATOM 0 HB THR A 35 7.945 6.222 -1.647 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.608 4.676 -2.304 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.553 3.858 -2.007 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.646 4.307 -0.288 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.264 3.360 -0.886 1.00 0.00 H new ATOM 490 N ASN A 36 4.633 7.078 -1.371 1.00 0.00 N ATOM 491 CA ASN A 36 3.857 8.246 -1.770 1.00 0.00 C ATOM 492 C ASN A 36 2.471 7.837 -2.259 1.00 0.00 C ATOM 493 O ASN A 36 2.249 6.685 -2.631 1.00 0.00 O ATOM 494 CB ASN A 36 4.589 9.020 -2.868 1.00 0.00 C ATOM 495 CG ASN A 36 5.537 10.062 -2.307 1.00 0.00 C ATOM 496 OD1 ASN A 36 5.108 11.090 -1.783 1.00 0.00 O ATOM 497 ND2 ASN A 36 6.835 9.801 -2.416 1.00 0.00 N ATOM 0 H ASN A 36 4.314 6.200 -1.781 1.00 0.00 H new ATOM 0 HA ASN A 36 3.740 8.889 -0.897 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.148 8.321 -3.490 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.859 9.507 -3.514 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.521 10.466 -2.058 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.146 8.936 -2.858 1.00 0.00 H new ATOM 504 N GLN A 37 1.543 8.789 -2.255 1.00 0.00 N ATOM 505 CA GLN A 37 0.179 8.527 -2.697 1.00 0.00 C ATOM 506 C GLN A 37 -0.131 9.286 -3.983 1.00 0.00 C ATOM 507 O GLN A 37 0.169 10.475 -4.101 1.00 0.00 O ATOM 508 CB GLN A 37 -0.818 8.920 -1.606 1.00 0.00 C ATOM 509 CG GLN A 37 -2.269 8.850 -2.054 1.00 0.00 C ATOM 510 CD GLN A 37 -2.771 10.167 -2.614 1.00 0.00 C ATOM 511 OE1 GLN A 37 -2.123 10.780 -3.463 1.00 0.00 O ATOM 512 NE2 GLN A 37 -3.930 10.608 -2.142 1.00 0.00 N ATOM 0 H GLN A 37 1.711 9.748 -1.951 1.00 0.00 H new ATOM 0 HA GLN A 37 0.087 7.459 -2.895 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.680 8.265 -0.746 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.598 9.934 -1.272 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.374 8.074 -2.812 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.892 8.557 -1.209 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.433 10.067 -1.439 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.318 11.488 -2.483 1.00 0.00 H new ATOM 521 N ILE A 38 -0.734 8.593 -4.943 1.00 0.00 N ATOM 522 CA ILE A 38 -1.085 9.203 -6.220 1.00 0.00 C ATOM 523 C ILE A 38 -2.587 9.449 -6.316 1.00 0.00 C ATOM 524 O ILE A 38 -3.024 10.520 -6.738 1.00 0.00 O ATOM 525 CB ILE A 38 -0.644 8.323 -7.404 1.00 0.00 C ATOM 526 CG1 ILE A 38 0.883 8.238 -7.464 1.00 0.00 C ATOM 527 CG2 ILE A 38 -1.200 8.873 -8.709 1.00 0.00 C ATOM 528 CD1 ILE A 38 1.456 7.086 -6.668 1.00 0.00 C ATOM 0 H ILE A 38 -0.990 7.609 -4.861 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.558 10.156 -6.270 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.040 7.318 -7.257 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.193 8.140 -8.504 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.306 9.172 -7.092 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.879 8.240 -9.536 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.289 8.887 -8.663 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.830 9.887 -8.863 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.542 7.088 -6.756 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.177 7.193 -5.620 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.062 6.146 -7.054 1.00 0.00 H new ATOM 540 N ASP A 39 -3.371 8.453 -5.921 1.00 0.00 N ATOM 541 CA ASP A 39 -4.825 8.562 -5.960 1.00 0.00 C ATOM 542 C ASP A 39 -5.392 8.765 -4.558 1.00 0.00 C ATOM 543 O ASP A 39 -4.656 8.744 -3.572 1.00 0.00 O ATOM 544 CB ASP A 39 -5.435 7.312 -6.594 1.00 0.00 C ATOM 545 CG ASP A 39 -6.737 7.604 -7.314 1.00 0.00 C ATOM 546 OD1 ASP A 39 -6.683 8.086 -8.465 1.00 0.00 O ATOM 547 OD2 ASP A 39 -7.810 7.352 -6.726 1.00 0.00 O ATOM 0 H ASP A 39 -3.024 7.560 -5.570 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.084 9.430 -6.567 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.723 6.881 -7.298 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.611 6.565 -5.820 1.00 0.00 H new ATOM 552 N GLU A 40 -6.704 8.963 -4.479 1.00 0.00 N ATOM 553 CA GLU A 40 -7.369 9.172 -3.198 1.00 0.00 C ATOM 554 C GLU A 40 -7.660 7.840 -2.513 1.00 0.00 C ATOM 555 O GLU A 40 -7.935 7.793 -1.315 1.00 0.00 O ATOM 556 CB GLU A 40 -8.671 9.952 -3.395 1.00 0.00 C ATOM 557 CG GLU A 40 -9.233 10.532 -2.108 1.00 0.00 C ATOM 558 CD GLU A 40 -8.499 11.781 -1.662 1.00 0.00 C ATOM 559 OE1 GLU A 40 -7.474 11.650 -0.961 1.00 0.00 O ATOM 560 OE2 GLU A 40 -8.950 12.891 -2.014 1.00 0.00 O ATOM 0 H GLU A 40 -7.327 8.983 -5.286 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.700 9.751 -2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.496 10.762 -4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.415 9.293 -3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.288 10.766 -2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.176 9.781 -1.320 1.00 0.00 H new ATOM 567 N ASN A 41 -7.598 6.759 -3.283 1.00 0.00 N ATOM 568 CA ASN A 41 -7.855 5.425 -2.752 1.00 0.00 C ATOM 569 C ASN A 41 -6.729 4.465 -3.122 1.00 0.00 C ATOM 570 O ASN A 41 -6.878 3.247 -3.016 1.00 0.00 O ATOM 571 CB ASN A 41 -9.189 4.893 -3.278 1.00 0.00 C ATOM 572 CG ASN A 41 -10.358 5.285 -2.396 1.00 0.00 C ATOM 573 OD1 ASN A 41 -10.208 5.451 -1.185 1.00 0.00 O ATOM 574 ND2 ASN A 41 -11.531 5.436 -2.999 1.00 0.00 N ATOM 0 H ASN A 41 -7.372 6.780 -4.277 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.903 5.497 -1.665 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.356 5.272 -4.286 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.140 3.806 -3.350 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.353 5.700 -2.456 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.610 5.288 -4.005 1.00 0.00 H new ATOM 581 N TRP A 42 -5.604 5.021 -3.557 1.00 0.00 N ATOM 582 CA TRP A 42 -4.452 4.213 -3.942 1.00 0.00 C ATOM 583 C TRP A 42 -3.183 4.718 -3.265 1.00 0.00 C ATOM 584 O TRP A 42 -3.137 5.845 -2.773 1.00 0.00 O ATOM 585 CB TRP A 42 -4.276 4.232 -5.462 1.00 0.00 C ATOM 586 CG TRP A 42 -5.450 3.667 -6.202 1.00 0.00 C ATOM 587 CD1 TRP A 42 -6.703 4.205 -6.287 1.00 0.00 C ATOM 588 CD2 TRP A 42 -5.481 2.453 -6.961 1.00 0.00 C ATOM 589 NE1 TRP A 42 -7.510 3.398 -7.052 1.00 0.00 N ATOM 590 CE2 TRP A 42 -6.784 2.318 -7.478 1.00 0.00 C ATOM 591 CE3 TRP A 42 -4.534 1.468 -7.255 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -7.162 1.237 -8.271 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -4.911 0.396 -8.042 1.00 0.00 C ATOM 594 CH2 TRP A 42 -6.215 0.288 -8.543 1.00 0.00 C ATOM 0 H TRP A 42 -5.465 6.027 -3.652 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.632 3.188 -3.616 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.109 5.258 -5.789 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.383 3.665 -5.724 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.013 5.129 -5.821 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.491 3.575 -7.268 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.526 1.543 -6.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.167 1.151 -8.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.188 -0.372 -8.275 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.478 -0.561 -9.156 1.00 0.00 H new ATOM 605 N TYR A 43 -2.155 3.876 -3.243 1.00 0.00 N ATOM 606 CA TYR A 43 -0.885 4.237 -2.624 1.00 0.00 C ATOM 607 C TYR A 43 0.289 3.810 -3.500 1.00 0.00 C ATOM 608 O TYR A 43 0.101 3.213 -4.559 1.00 0.00 O ATOM 609 CB TYR A 43 -0.766 3.591 -1.242 1.00 0.00 C ATOM 610 CG TYR A 43 -1.416 4.396 -0.140 1.00 0.00 C ATOM 611 CD1 TYR A 43 -1.218 5.768 -0.045 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.229 3.785 0.807 1.00 0.00 C ATOM 613 CE1 TYR A 43 -1.810 6.507 0.961 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.826 4.516 1.815 1.00 0.00 C ATOM 615 CZ TYR A 43 -2.613 5.877 1.889 1.00 0.00 C ATOM 616 OH TYR A 43 -3.205 6.610 2.892 1.00 0.00 O ATOM 0 H TYR A 43 -2.177 2.939 -3.646 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.858 5.321 -2.515 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.220 2.600 -1.273 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.289 3.451 -1.005 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.591 6.265 -0.770 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.397 2.719 0.754 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.645 7.573 1.021 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.456 4.025 2.542 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.739 6.016 3.460 1.00 0.00 H new ATOM 626 N GLU A 44 1.500 4.121 -3.048 1.00 0.00 N ATOM 627 CA GLU A 44 2.705 3.770 -3.790 1.00 0.00 C ATOM 628 C GLU A 44 3.793 3.260 -2.850 1.00 0.00 C ATOM 629 O GLU A 44 4.184 3.945 -1.906 1.00 0.00 O ATOM 630 CB GLU A 44 3.218 4.979 -4.574 1.00 0.00 C ATOM 631 CG GLU A 44 4.185 4.617 -5.689 1.00 0.00 C ATOM 632 CD GLU A 44 4.929 5.822 -6.231 1.00 0.00 C ATOM 633 OE1 GLU A 44 4.933 6.870 -5.552 1.00 0.00 O ATOM 634 OE2 GLU A 44 5.506 5.717 -7.333 1.00 0.00 O ATOM 0 H GLU A 44 1.672 4.615 -2.172 1.00 0.00 H new ATOM 0 HA GLU A 44 2.451 2.974 -4.490 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.368 5.512 -5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.711 5.665 -3.885 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.905 3.887 -5.318 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.636 4.139 -6.500 1.00 0.00 H new ATOM 641 N GLY A 45 4.278 2.051 -3.116 1.00 0.00 N ATOM 642 CA GLY A 45 5.316 1.468 -2.286 1.00 0.00 C ATOM 643 C GLY A 45 6.078 0.368 -2.997 1.00 0.00 C ATOM 644 O GLY A 45 5.857 0.116 -4.181 1.00 0.00 O ATOM 0 H GLY A 45 3.970 1.465 -3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.013 2.248 -1.979 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.867 1.066 -1.378 1.00 0.00 H new ATOM 648 N MET A 46 6.979 -0.289 -2.274 1.00 0.00 N ATOM 649 CA MET A 46 7.777 -1.369 -2.844 1.00 0.00 C ATOM 650 C MET A 46 7.365 -2.716 -2.258 1.00 0.00 C ATOM 651 O MET A 46 7.294 -2.879 -1.039 1.00 0.00 O ATOM 652 CB MET A 46 9.265 -1.121 -2.589 1.00 0.00 C ATOM 653 CG MET A 46 9.945 -0.323 -3.689 1.00 0.00 C ATOM 654 SD MET A 46 11.744 -0.413 -3.602 1.00 0.00 S ATOM 655 CE MET A 46 12.032 0.177 -1.935 1.00 0.00 C ATOM 0 H MET A 46 7.175 -0.093 -1.292 1.00 0.00 H new ATOM 0 HA MET A 46 7.599 -1.391 -3.919 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.380 -0.591 -1.643 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.772 -2.080 -2.481 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.613 -0.693 -4.659 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.634 0.719 -3.622 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.098 0.349 -1.789 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.490 1.110 -1.780 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.683 -0.568 -1.220 1.00 0.00 H new ATOM 665 N LEU A 47 7.096 -3.679 -3.133 1.00 0.00 N ATOM 666 CA LEU A 47 6.692 -5.013 -2.702 1.00 0.00 C ATOM 667 C LEU A 47 7.457 -6.087 -3.468 1.00 0.00 C ATOM 668 O LEU A 47 7.158 -6.369 -4.629 1.00 0.00 O ATOM 669 CB LEU A 47 5.187 -5.200 -2.903 1.00 0.00 C ATOM 670 CG LEU A 47 4.607 -6.532 -2.425 1.00 0.00 C ATOM 671 CD1 LEU A 47 4.725 -6.654 -0.914 1.00 0.00 C ATOM 672 CD2 LEU A 47 3.156 -6.669 -2.861 1.00 0.00 C ATOM 0 H LEU A 47 7.150 -3.561 -4.145 1.00 0.00 H new ATOM 0 HA LEU A 47 6.926 -5.113 -1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.668 -4.394 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.966 -5.090 -3.965 1.00 0.00 H new ATOM 0 HG LEU A 47 5.180 -7.340 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.307 -7.608 -0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.775 -6.602 -0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.178 -5.840 -0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.760 -7.623 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.570 -5.855 -2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.097 -6.628 -3.949 1.00 0.00 H new ATOM 684 N HIS A 48 8.444 -6.686 -2.809 1.00 0.00 N ATOM 685 CA HIS A 48 9.250 -7.733 -3.427 1.00 0.00 C ATOM 686 C HIS A 48 9.968 -7.206 -4.666 1.00 0.00 C ATOM 687 O HIS A 48 10.121 -7.919 -5.657 1.00 0.00 O ATOM 688 CB HIS A 48 8.373 -8.928 -3.801 1.00 0.00 C ATOM 689 CG HIS A 48 8.016 -9.797 -2.635 1.00 0.00 C ATOM 690 ND1 HIS A 48 8.819 -10.825 -2.188 1.00 0.00 N ATOM 691 CD2 HIS A 48 6.935 -9.786 -1.821 1.00 0.00 C ATOM 692 CE1 HIS A 48 8.247 -11.409 -1.151 1.00 0.00 C ATOM 693 NE2 HIS A 48 7.102 -10.797 -0.907 1.00 0.00 N ATOM 0 H HIS A 48 8.705 -6.465 -1.848 1.00 0.00 H new ATOM 0 HA HIS A 48 9.999 -8.055 -2.704 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.457 -8.564 -4.266 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.892 -9.530 -4.547 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.096 -9.108 -1.879 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.647 -12.245 -0.597 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.449 -11.036 -0.161 1.00 0.00 H new ATOM 702 N GLY A 49 10.405 -5.952 -4.603 1.00 0.00 N ATOM 703 CA GLY A 49 11.099 -5.350 -5.726 1.00 0.00 C ATOM 704 C GLY A 49 10.152 -4.898 -6.819 1.00 0.00 C ATOM 705 O GLY A 49 10.551 -4.747 -7.974 1.00 0.00 O ATOM 0 H GLY A 49 10.291 -5.342 -3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.678 -4.496 -5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.808 -6.068 -6.138 1.00 0.00 H new ATOM 709 N HIS A 50 8.891 -4.683 -6.456 1.00 0.00 N ATOM 710 CA HIS A 50 7.883 -4.247 -7.416 1.00 0.00 C ATOM 711 C HIS A 50 7.344 -2.868 -7.048 1.00 0.00 C ATOM 712 O HIS A 50 6.860 -2.656 -5.937 1.00 0.00 O ATOM 713 CB HIS A 50 6.736 -5.256 -7.476 1.00 0.00 C ATOM 714 CG HIS A 50 7.126 -6.572 -8.075 1.00 0.00 C ATOM 715 ND1 HIS A 50 7.691 -6.691 -9.328 1.00 0.00 N ATOM 716 CD2 HIS A 50 7.033 -7.830 -7.586 1.00 0.00 C ATOM 717 CE1 HIS A 50 7.926 -7.965 -9.583 1.00 0.00 C ATOM 718 NE2 HIS A 50 7.536 -8.678 -8.542 1.00 0.00 N ATOM 0 H HIS A 50 8.543 -4.804 -5.505 1.00 0.00 H new ATOM 0 HA HIS A 50 8.354 -4.184 -8.397 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.357 -5.423 -6.468 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.918 -4.830 -8.057 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.637 -8.115 -6.622 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.363 -8.357 -10.489 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.598 -9.693 -8.461 1.00 0.00 H new ATOM 727 N SER A 51 7.433 -1.933 -7.989 1.00 0.00 N ATOM 728 CA SER A 51 6.958 -0.573 -7.762 1.00 0.00 C ATOM 729 C SER A 51 5.652 -0.322 -8.508 1.00 0.00 C ATOM 730 O SER A 51 5.646 -0.110 -9.720 1.00 0.00 O ATOM 731 CB SER A 51 8.016 0.439 -8.208 1.00 0.00 C ATOM 732 OG SER A 51 8.371 0.242 -9.565 1.00 0.00 O ATOM 0 H SER A 51 7.829 -2.092 -8.915 1.00 0.00 H new ATOM 0 HA SER A 51 6.775 -0.451 -6.694 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.635 1.451 -8.072 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.902 0.344 -7.580 1.00 0.00 H new ATOM 0 HG SER A 51 7.565 0.052 -10.090 1.00 0.00 H new ATOM 738 N GLY A 52 4.544 -0.348 -7.774 1.00 0.00 N ATOM 739 CA GLY A 52 3.245 -0.122 -8.382 1.00 0.00 C ATOM 740 C GLY A 52 2.252 0.494 -7.416 1.00 0.00 C ATOM 741 O GLY A 52 2.547 0.659 -6.232 1.00 0.00 O ATOM 0 H GLY A 52 4.522 -0.522 -6.769 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.361 0.532 -9.246 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.850 -1.069 -8.750 1.00 0.00 H new ATOM 745 N PHE A 53 1.072 0.836 -7.922 1.00 0.00 N ATOM 746 CA PHE A 53 0.033 1.440 -7.096 1.00 0.00 C ATOM 747 C PHE A 53 -1.051 0.422 -6.755 1.00 0.00 C ATOM 748 O PHE A 53 -1.573 -0.265 -7.633 1.00 0.00 O ATOM 749 CB PHE A 53 -0.587 2.640 -7.816 1.00 0.00 C ATOM 750 CG PHE A 53 0.389 3.397 -8.670 1.00 0.00 C ATOM 751 CD1 PHE A 53 1.553 3.913 -8.123 1.00 0.00 C ATOM 752 CD2 PHE A 53 0.144 3.591 -10.020 1.00 0.00 C ATOM 753 CE1 PHE A 53 2.452 4.611 -8.906 1.00 0.00 C ATOM 754 CE2 PHE A 53 1.040 4.288 -10.808 1.00 0.00 C ATOM 755 CZ PHE A 53 2.197 4.797 -10.251 1.00 0.00 C ATOM 0 H PHE A 53 0.811 0.705 -8.899 1.00 0.00 H new ATOM 0 HA PHE A 53 0.493 1.779 -6.168 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.411 2.293 -8.440 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.012 3.318 -7.076 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.760 3.768 -7.073 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.758 3.193 -10.461 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.354 5.011 -8.467 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.836 4.435 -11.858 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.901 5.339 -10.865 1.00 0.00 H new ATOM 765 N PHE A 54 -1.385 0.330 -5.472 1.00 0.00 N ATOM 766 CA PHE A 54 -2.405 -0.606 -5.012 1.00 0.00 C ATOM 767 C PHE A 54 -3.523 0.127 -4.277 1.00 0.00 C ATOM 768 O PHE A 54 -3.336 1.218 -3.739 1.00 0.00 O ATOM 769 CB PHE A 54 -1.784 -1.662 -4.096 1.00 0.00 C ATOM 770 CG PHE A 54 -0.848 -1.089 -3.070 1.00 0.00 C ATOM 771 CD1 PHE A 54 0.429 -0.685 -3.426 1.00 0.00 C ATOM 772 CD2 PHE A 54 -1.245 -0.955 -1.749 1.00 0.00 C ATOM 773 CE1 PHE A 54 1.292 -0.157 -2.485 1.00 0.00 C ATOM 774 CE2 PHE A 54 -0.386 -0.428 -0.803 1.00 0.00 C ATOM 775 CZ PHE A 54 0.885 -0.029 -1.171 1.00 0.00 C ATOM 0 H PHE A 54 -0.964 0.892 -4.732 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.830 -1.099 -5.886 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.581 -2.204 -3.587 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.244 -2.387 -4.705 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.753 -0.784 -4.451 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.237 -1.266 -1.455 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.284 0.155 -2.776 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.708 -0.328 0.223 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.558 0.382 -0.433 1.00 0.00 H new ATOM 785 N PRO A 55 -4.716 -0.485 -4.255 1.00 0.00 N ATOM 786 CA PRO A 55 -5.889 0.090 -3.590 1.00 0.00 C ATOM 787 C PRO A 55 -5.752 0.092 -2.071 1.00 0.00 C ATOM 788 O PRO A 55 -5.067 -0.757 -1.500 1.00 0.00 O ATOM 789 CB PRO A 55 -7.031 -0.833 -4.022 1.00 0.00 C ATOM 790 CG PRO A 55 -6.371 -2.132 -4.332 1.00 0.00 C ATOM 791 CD PRO A 55 -5.012 -1.787 -4.876 1.00 0.00 C ATOM 0 HA PRO A 55 -6.040 1.134 -3.863 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.771 -0.944 -3.230 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.553 -0.436 -4.893 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.288 -2.751 -3.438 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.950 -2.700 -5.060 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.269 -2.538 -4.608 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.020 -1.721 -5.964 1.00 0.00 H new ATOM 799 N ILE A 56 -6.407 1.050 -1.424 1.00 0.00 N ATOM 800 CA ILE A 56 -6.358 1.160 0.029 1.00 0.00 C ATOM 801 C ILE A 56 -7.558 0.473 0.673 1.00 0.00 C ATOM 802 O ILE A 56 -7.544 0.165 1.864 1.00 0.00 O ATOM 803 CB ILE A 56 -6.320 2.632 0.481 1.00 0.00 C ATOM 804 CG1 ILE A 56 -5.257 3.402 -0.306 1.00 0.00 C ATOM 805 CG2 ILE A 56 -6.049 2.720 1.975 1.00 0.00 C ATOM 806 CD1 ILE A 56 -5.264 4.890 -0.033 1.00 0.00 C ATOM 0 H ILE A 56 -6.977 1.761 -1.882 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.442 0.665 0.352 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.291 3.084 0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.274 3.000 -0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -5.414 3.235 -1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.025 3.766 2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.839 2.202 2.519 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.089 2.255 2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.485 5.372 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.235 5.305 -0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.077 5.066 1.026 1.00 0.00 H new ATOM 818 N ASN A 57 -8.595 0.235 -0.124 1.00 0.00 N ATOM 819 CA ASN A 57 -9.803 -0.417 0.367 1.00 0.00 C ATOM 820 C ASN A 57 -9.556 -1.902 0.618 1.00 0.00 C ATOM 821 O ASN A 57 -10.466 -2.636 1.005 1.00 0.00 O ATOM 822 CB ASN A 57 -10.946 -0.240 -0.634 1.00 0.00 C ATOM 823 CG ASN A 57 -12.309 -0.315 0.026 1.00 0.00 C ATOM 824 OD1 ASN A 57 -12.476 0.084 1.179 1.00 0.00 O ATOM 825 ND2 ASN A 57 -13.293 -0.828 -0.704 1.00 0.00 N ATOM 0 H ASN A 57 -8.623 0.484 -1.113 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.081 0.051 1.311 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.841 0.722 -1.135 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.875 -1.010 -1.403 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.232 -0.904 -0.313 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.110 -1.146 -1.656 1.00 0.00 H new ATOM 832 N TYR A 58 -8.321 -2.336 0.396 1.00 0.00 N ATOM 833 CA TYR A 58 -7.955 -3.733 0.596 1.00 0.00 C ATOM 834 C TYR A 58 -6.892 -3.868 1.682 1.00 0.00 C ATOM 835 O TYR A 58 -6.794 -4.899 2.348 1.00 0.00 O ATOM 836 CB TYR A 58 -7.443 -4.340 -0.711 1.00 0.00 C ATOM 837 CG TYR A 58 -8.541 -4.889 -1.594 1.00 0.00 C ATOM 838 CD1 TYR A 58 -9.419 -5.857 -1.123 1.00 0.00 C ATOM 839 CD2 TYR A 58 -8.699 -4.440 -2.899 1.00 0.00 C ATOM 840 CE1 TYR A 58 -10.423 -6.362 -1.927 1.00 0.00 C ATOM 841 CE2 TYR A 58 -9.701 -4.938 -3.710 1.00 0.00 C ATOM 842 CZ TYR A 58 -10.560 -5.900 -3.219 1.00 0.00 C ATOM 843 OH TYR A 58 -11.560 -6.399 -4.022 1.00 0.00 O ATOM 0 H TYR A 58 -7.556 -1.741 0.078 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.846 -4.273 0.916 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.890 -3.580 -1.263 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.740 -5.140 -0.479 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.315 -6.221 -0.111 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.027 -3.689 -3.287 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.097 -7.115 -1.545 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.811 -4.577 -4.722 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.519 -5.968 -4.901 1.00 0.00 H new ATOM 853 N VAL A 59 -6.097 -2.817 1.857 1.00 0.00 N ATOM 854 CA VAL A 59 -5.042 -2.815 2.863 1.00 0.00 C ATOM 855 C VAL A 59 -5.320 -1.781 3.949 1.00 0.00 C ATOM 856 O VAL A 59 -6.218 -0.951 3.813 1.00 0.00 O ATOM 857 CB VAL A 59 -3.666 -2.524 2.233 1.00 0.00 C ATOM 858 CG1 VAL A 59 -3.471 -3.351 0.971 1.00 0.00 C ATOM 859 CG2 VAL A 59 -3.520 -1.040 1.936 1.00 0.00 C ATOM 0 H VAL A 59 -6.164 -1.956 1.315 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.027 -3.810 3.308 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.892 -2.806 2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.494 -3.132 0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.530 -4.411 1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.250 -3.103 0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.543 -0.852 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.300 -0.730 1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.612 -0.473 2.862 1.00 0.00 H new ATOM 869 N GLU A 60 -4.543 -1.839 5.026 1.00 0.00 N ATOM 870 CA GLU A 60 -4.706 -0.908 6.136 1.00 0.00 C ATOM 871 C GLU A 60 -3.410 -0.149 6.405 1.00 0.00 C ATOM 872 O GLU A 60 -2.322 -0.724 6.364 1.00 0.00 O ATOM 873 CB GLU A 60 -5.144 -1.655 7.397 1.00 0.00 C ATOM 874 CG GLU A 60 -5.396 -0.744 8.587 1.00 0.00 C ATOM 875 CD GLU A 60 -5.733 -1.514 9.850 1.00 0.00 C ATOM 876 OE1 GLU A 60 -6.863 -2.035 9.944 1.00 0.00 O ATOM 877 OE2 GLU A 60 -4.864 -1.595 10.744 1.00 0.00 O ATOM 0 H GLU A 60 -3.795 -2.521 5.153 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.478 -0.188 5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.053 -2.215 7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.377 -2.383 7.663 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.512 -0.131 8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.214 -0.063 8.352 1.00 0.00 H new ATOM 884 N ILE A 61 -3.535 1.145 6.680 1.00 0.00 N ATOM 885 CA ILE A 61 -2.374 1.982 6.956 1.00 0.00 C ATOM 886 C ILE A 61 -2.109 2.077 8.455 1.00 0.00 C ATOM 887 O ILE A 61 -2.766 2.838 9.166 1.00 0.00 O ATOM 888 CB ILE A 61 -2.556 3.402 6.388 1.00 0.00 C ATOM 889 CG1 ILE A 61 -2.645 3.356 4.861 1.00 0.00 C ATOM 890 CG2 ILE A 61 -1.410 4.300 6.830 1.00 0.00 C ATOM 891 CD1 ILE A 61 -1.474 2.655 4.208 1.00 0.00 C ATOM 0 H ILE A 61 -4.428 1.636 6.718 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.521 1.510 6.467 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.487 3.816 6.776 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.567 2.850 4.574 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.708 4.375 4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.553 5.300 6.421 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.388 4.353 7.918 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.467 3.891 6.468 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.604 2.660 3.126 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.550 3.174 4.465 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.423 1.625 4.562 1.00 0.00 H new ATOM 903 N LEU A 62 -1.141 1.301 8.929 1.00 0.00 N ATOM 904 CA LEU A 62 -0.786 1.298 10.344 1.00 0.00 C ATOM 905 C LEU A 62 -0.037 2.572 10.720 1.00 0.00 C ATOM 906 O LEU A 62 -0.248 3.135 11.794 1.00 0.00 O ATOM 907 CB LEU A 62 0.070 0.074 10.673 1.00 0.00 C ATOM 908 CG LEU A 62 -0.490 -1.277 10.225 1.00 0.00 C ATOM 909 CD1 LEU A 62 0.500 -2.391 10.524 1.00 0.00 C ATOM 910 CD2 LEU A 62 -1.825 -1.551 10.903 1.00 0.00 C ATOM 0 H LEU A 62 -0.588 0.666 8.354 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.708 1.256 10.924 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.051 0.208 10.216 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.223 0.042 11.752 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.652 -1.243 9.148 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.084 -3.344 10.198 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.433 -2.201 9.992 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.694 -2.427 11.596 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.209 -2.516 10.573 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.688 -1.565 11.984 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.535 -0.768 10.638 1.00 0.00 H new ATOM 922 N VAL A 63 0.839 3.023 9.827 1.00 0.00 N ATOM 923 CA VAL A 63 1.617 4.233 10.063 1.00 0.00 C ATOM 924 C VAL A 63 1.286 5.309 9.036 1.00 0.00 C ATOM 925 O VAL A 63 1.639 5.191 7.862 1.00 0.00 O ATOM 926 CB VAL A 63 3.130 3.945 10.019 1.00 0.00 C ATOM 927 CG1 VAL A 63 3.919 5.244 9.957 1.00 0.00 C ATOM 928 CG2 VAL A 63 3.549 3.114 11.223 1.00 0.00 C ATOM 0 H VAL A 63 1.027 2.568 8.934 1.00 0.00 H new ATOM 0 HA VAL A 63 1.351 4.591 11.058 1.00 0.00 H new ATOM 0 HB VAL A 63 3.347 3.372 9.117 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.985 5.021 9.927 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.638 5.798 9.061 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.699 5.846 10.839 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.621 2.920 11.176 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.319 3.658 12.139 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.008 2.168 11.218 1.00 0.00 H new ATOM 938 N ALA A 64 0.606 6.359 9.484 1.00 0.00 N ATOM 939 CA ALA A 64 0.229 7.459 8.604 1.00 0.00 C ATOM 940 C ALA A 64 1.462 8.143 8.022 1.00 0.00 C ATOM 941 O ALA A 64 2.332 8.609 8.758 1.00 0.00 O ATOM 942 CB ALA A 64 -0.630 8.465 9.355 1.00 0.00 C ATOM 0 H ALA A 64 0.305 6.471 10.452 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.351 7.048 7.777 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.904 9.281 8.686 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.533 7.974 9.717 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.069 8.863 10.201 1.00 0.00 H new ATOM 948 N LEU A 65 1.530 8.199 6.697 1.00 0.00 N ATOM 949 CA LEU A 65 2.657 8.826 6.015 1.00 0.00 C ATOM 950 C LEU A 65 2.969 10.191 6.620 1.00 0.00 C ATOM 951 O LEU A 65 2.091 10.885 7.133 1.00 0.00 O ATOM 952 CB LEU A 65 2.357 8.974 4.522 1.00 0.00 C ATOM 953 CG LEU A 65 2.342 7.680 3.709 1.00 0.00 C ATOM 954 CD1 LEU A 65 1.502 7.848 2.453 1.00 0.00 C ATOM 955 CD2 LEU A 65 3.760 7.258 3.352 1.00 0.00 C ATOM 0 H LEU A 65 0.818 7.818 6.073 1.00 0.00 H new ATOM 0 HA LEU A 65 3.529 8.185 6.142 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.387 9.459 4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.099 9.644 4.087 1.00 0.00 H new ATOM 0 HG LEU A 65 1.893 6.896 4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.503 6.916 1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.479 8.103 2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.921 8.646 1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.730 6.335 2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.235 8.041 2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.332 7.095 4.265 1.00 0.00 H new ATOM 967 N PRO A 66 4.249 10.588 6.559 1.00 0.00 N ATOM 968 CA PRO A 66 4.705 11.874 7.094 1.00 0.00 C ATOM 969 C PRO A 66 4.198 13.055 6.275 1.00 0.00 C ATOM 970 O PRO A 66 4.482 14.211 6.591 1.00 0.00 O ATOM 971 CB PRO A 66 6.230 11.775 7.002 1.00 0.00 C ATOM 972 CG PRO A 66 6.481 10.799 5.905 1.00 0.00 C ATOM 973 CD PRO A 66 5.348 9.811 5.962 1.00 0.00 C ATOM 0 HA PRO A 66 4.335 12.049 8.104 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.677 12.744 6.780 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.662 11.433 7.943 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.514 11.300 4.937 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.441 10.300 6.039 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.087 9.441 4.970 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.602 8.942 6.569 1.00 0.00 H new ATOM 981 N HIS A 67 3.445 12.759 5.220 1.00 0.00 N ATOM 982 CA HIS A 67 2.896 13.798 4.356 1.00 0.00 C ATOM 983 C HIS A 67 1.833 13.224 3.424 1.00 0.00 C ATOM 984 O HIS A 67 1.689 12.007 3.305 1.00 0.00 O ATOM 985 CB HIS A 67 4.011 14.450 3.536 1.00 0.00 C ATOM 986 CG HIS A 67 4.962 13.465 2.930 1.00 0.00 C ATOM 987 ND1 HIS A 67 6.326 13.520 3.123 1.00 0.00 N ATOM 988 CD2 HIS A 67 4.739 12.395 2.131 1.00 0.00 C ATOM 989 CE1 HIS A 67 6.902 12.527 2.468 1.00 0.00 C ATOM 990 NE2 HIS A 67 5.961 11.829 1.858 1.00 0.00 N ATOM 0 H HIS A 67 3.201 11.808 4.943 1.00 0.00 H new ATOM 0 HA HIS A 67 2.430 14.554 4.988 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.565 15.048 2.741 1.00 0.00 H new ATOM 0 HB3 HIS A 67 4.568 15.135 4.175 1.00 0.00 H new ATOM 0 HD2 HIS A 67 3.779 12.051 1.775 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.962 12.321 2.437 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.116 11.004 1.279 1.00 0.00 H new ATOM 999 N SER A 68 1.089 14.109 2.768 1.00 0.00 N ATOM 1000 CA SER A 68 0.035 13.690 1.850 1.00 0.00 C ATOM 1001 C SER A 68 0.399 14.038 0.410 1.00 0.00 C ATOM 1002 O SER A 68 -0.439 14.514 -0.356 1.00 0.00 O ATOM 1003 CB SER A 68 -1.291 14.353 2.228 1.00 0.00 C ATOM 1004 OG SER A 68 -2.391 13.626 1.707 1.00 0.00 O ATOM 0 H SER A 68 1.196 15.120 2.855 1.00 0.00 H new ATOM 0 HA SER A 68 -0.072 12.608 1.927 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.374 14.416 3.313 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.312 15.374 1.847 1.00 0.00 H new ATOM 0 HG SER A 68 -2.302 13.550 0.734 1.00 0.00 H new ATOM 1010 N GLY A 69 1.655 13.797 0.049 1.00 0.00 N ATOM 1011 CA GLY A 69 2.109 14.091 -1.298 1.00 0.00 C ATOM 1012 C GLY A 69 2.870 15.399 -1.381 1.00 0.00 C ATOM 1013 O GLY A 69 3.011 16.124 -0.396 1.00 0.00 O ATOM 0 H GLY A 69 2.367 13.403 0.665 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.748 13.280 -1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.249 14.131 -1.967 1.00 0.00 H new ATOM 1017 N PRO A 70 3.377 15.718 -2.581 1.00 0.00 N ATOM 1018 CA PRO A 70 4.136 16.949 -2.818 1.00 0.00 C ATOM 1019 C PRO A 70 3.259 18.195 -2.748 1.00 0.00 C ATOM 1020 O PRO A 70 2.674 18.610 -3.748 1.00 0.00 O ATOM 1021 CB PRO A 70 4.686 16.761 -4.234 1.00 0.00 C ATOM 1022 CG PRO A 70 3.733 15.820 -4.887 1.00 0.00 C ATOM 1023 CD PRO A 70 3.246 14.902 -3.800 1.00 0.00 C ATOM 0 HA PRO A 70 4.907 17.102 -2.063 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.735 17.709 -4.769 1.00 0.00 H new ATOM 0 HB3 PRO A 70 5.696 16.352 -4.216 1.00 0.00 H new ATOM 0 HG2 PRO A 70 2.903 16.359 -5.343 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.223 15.258 -5.682 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.214 14.592 -3.968 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.846 13.994 -3.742 1.00 0.00 H new ATOM 1031 N SER A 71 3.173 18.787 -1.561 1.00 0.00 N ATOM 1032 CA SER A 71 2.364 19.983 -1.361 1.00 0.00 C ATOM 1033 C SER A 71 3.210 21.243 -1.517 1.00 0.00 C ATOM 1034 O SER A 71 4.420 21.169 -1.731 1.00 0.00 O ATOM 1035 CB SER A 71 1.715 19.959 0.024 1.00 0.00 C ATOM 1036 OG SER A 71 0.759 18.917 0.121 1.00 0.00 O ATOM 0 H SER A 71 3.654 18.458 -0.724 1.00 0.00 H new ATOM 0 HA SER A 71 1.582 19.995 -2.121 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.482 19.825 0.786 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.234 20.917 0.221 1.00 0.00 H new ATOM 0 HG SER A 71 0.360 18.922 1.016 1.00 0.00 H new ATOM 1042 N SER A 72 2.564 22.400 -1.408 1.00 0.00 N ATOM 1043 CA SER A 72 3.254 23.677 -1.540 1.00 0.00 C ATOM 1044 C SER A 72 4.344 23.818 -0.482 1.00 0.00 C ATOM 1045 O SER A 72 4.093 24.294 0.624 1.00 0.00 O ATOM 1046 CB SER A 72 2.260 24.833 -1.421 1.00 0.00 C ATOM 1047 OG SER A 72 2.774 26.011 -2.018 1.00 0.00 O ATOM 0 H SER A 72 1.563 22.479 -1.228 1.00 0.00 H new ATOM 0 HA SER A 72 3.721 23.709 -2.524 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.320 24.559 -1.900 1.00 0.00 H new ATOM 0 HB3 SER A 72 2.040 25.020 -0.370 1.00 0.00 H new ATOM 0 HG SER A 72 2.119 26.735 -1.930 1.00 0.00 H new ATOM 1053 N GLY A 73 5.557 23.399 -0.831 1.00 0.00 N ATOM 1054 CA GLY A 73 6.668 23.485 0.099 1.00 0.00 C ATOM 1055 C GLY A 73 7.633 24.599 -0.253 1.00 0.00 C ATOM 1056 O GLY A 73 8.523 24.418 -1.084 1.00 0.00 O ATOM 0 H GLY A 73 5.790 23.002 -1.741 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.283 23.646 1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.203 22.535 0.110 1.00 0.00 H new TER 1060 GLY A 73