USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 735 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 Set 1.1: A 117 ASN : amide:sc= 0 X(o=0.16,f=0.023) USER MOD Set 1.2: A 119 ASN : amide:sc= 0.163 X(o=0.16,f=0.023) USER MOD Set 2.1: A 77 SER OG : rot 169:sc= 0.101 USER MOD Set 2.2: A 91 GLN : amide:sc= -2.17 K(o=-2.1,f=-9.6!) USER MOD Set 3.1: A 89 THR OG1 : rot 180:sc= 0.738 USER MOD Set 3.2: A 98 SER OG : rot 87:sc= 0.843 USER MOD Set 4.1: A 59 THR OG1 : rot -27:sc= 0.328 USER MOD Set 4.2: A 65 ASN : amide:sc= 0.539 K(o=0.87,f=-0.56) USER MOD Set 5.1: A 43 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 71 THR OG1 : rot 33:sc= -0.137 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= 0.548 (180deg=-0.154) USER MOD Single : A 34 THR OG1 : rot 75:sc= 1.26 USER MOD Single : A 36 MET CE :methyl 164:sc= -0.306 (180deg=-0.572) USER MOD Single : A 38 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.21) USER MOD Single : A 39 THR OG1 : rot 91:sc= 1.25 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= -0.0468 X(o=-0.047,f=-0.047) USER MOD Single : A 64 SER OG : rot 95:sc= 1.23 USER MOD Single : A 69 SER OG : rot 180:sc= 0.00527 USER MOD Single : A 72 THR OG1 : rot 32:sc= 0.0345 USER MOD Single : A 73 THR OG1 : rot 180:sc= -2.63! USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -161:sc= -0.126 (180deg=-0.707) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -170:sc= 1.23 (180deg=1.18) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -150:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 101 MET CE :methyl -122:sc= -2.18! (180deg=-3.99!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= -0.294 K(o=-0.29,f=-3.3!) USER MOD Single : A 122 SER OG : rot 58:sc= 1.23 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 128 GLN : amide:sc= -0.767 K(o=-0.77,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 35 N ASN A 26 -16.032 -10.136 -5.026 1.00 0.00 N ATOM 36 CA ASN A 26 -16.643 -8.851 -4.711 1.00 0.00 C ATOM 37 C ASN A 26 -16.183 -7.804 -5.720 1.00 0.00 C ATOM 38 O ASN A 26 -15.362 -6.947 -5.403 1.00 0.00 O ATOM 39 CB ASN A 26 -16.271 -8.406 -3.287 1.00 0.00 C ATOM 40 CG ASN A 26 -16.768 -9.360 -2.216 1.00 0.00 C ATOM 41 OD1 ASN A 26 -17.899 -9.248 -1.749 1.00 0.00 O ATOM 42 ND2 ASN A 26 -15.919 -10.291 -1.802 1.00 0.00 N ATOM 0 HA ASN A 26 -17.726 -8.957 -4.765 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.187 -8.318 -3.212 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -16.685 -7.415 -3.103 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -16.197 -10.946 -1.071 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -14.988 -10.352 -2.214 1.00 0.00 H new ATOM 49 N TYR A 27 -16.714 -7.882 -6.939 1.00 0.00 N ATOM 50 CA TYR A 27 -16.261 -7.028 -8.033 1.00 0.00 C ATOM 51 C TYR A 27 -16.586 -5.555 -7.780 1.00 0.00 C ATOM 52 O TYR A 27 -15.798 -4.673 -8.127 1.00 0.00 O ATOM 53 CB TYR A 27 -16.864 -7.480 -9.369 1.00 0.00 C ATOM 54 CG TYR A 27 -16.458 -6.603 -10.536 1.00 0.00 C ATOM 55 CD1 TYR A 27 -17.401 -5.857 -11.235 1.00 0.00 C ATOM 56 CD2 TYR A 27 -15.125 -6.499 -10.922 1.00 0.00 C ATOM 57 CE1 TYR A 27 -17.027 -5.036 -12.284 1.00 0.00 C ATOM 58 CE2 TYR A 27 -14.747 -5.683 -11.971 1.00 0.00 C ATOM 59 CZ TYR A 27 -15.701 -4.954 -12.647 1.00 0.00 C ATOM 60 OH TYR A 27 -15.325 -4.130 -13.684 1.00 0.00 O ATOM 0 H TYR A 27 -17.460 -8.530 -7.193 1.00 0.00 H new ATOM 0 HA TYR A 27 -15.177 -7.127 -8.085 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -16.556 -8.506 -9.570 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -17.951 -7.483 -9.287 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -18.442 -5.920 -10.954 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -14.373 -7.066 -10.393 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -17.771 -4.462 -12.816 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.708 -5.617 -12.260 1.00 0.00 H new ATOM 0 HH TYR A 27 -14.355 -4.187 -13.812 1.00 0.00 H new ATOM 70 N LEU A 28 -17.729 -5.290 -7.163 1.00 0.00 N ATOM 71 CA LEU A 28 -18.130 -3.915 -6.881 1.00 0.00 C ATOM 72 C LEU A 28 -17.208 -3.315 -5.832 1.00 0.00 C ATOM 73 O LEU A 28 -16.797 -2.157 -5.934 1.00 0.00 O ATOM 74 CB LEU A 28 -19.588 -3.851 -6.415 1.00 0.00 C ATOM 75 CG LEU A 28 -20.632 -4.248 -7.464 1.00 0.00 C ATOM 76 CD1 LEU A 28 -22.026 -4.229 -6.861 1.00 0.00 C ATOM 77 CD2 LEU A 28 -20.561 -3.321 -8.670 1.00 0.00 C ATOM 0 H LEU A 28 -18.391 -6.000 -6.850 1.00 0.00 H new ATOM 0 HA LEU A 28 -18.049 -3.335 -7.800 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -19.703 -4.502 -5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -19.801 -2.835 -6.082 1.00 0.00 H new ATOM 0 HG LEU A 28 -20.413 -5.262 -7.798 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -22.755 -4.513 -7.620 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -22.073 -4.934 -6.031 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -22.252 -3.226 -6.499 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -21.310 -3.620 -9.403 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -20.752 -2.296 -8.353 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -19.570 -3.383 -9.119 1.00 0.00 H new ATOM 89 N ARG A 29 -16.872 -4.119 -4.832 1.00 0.00 N ATOM 90 CA ARG A 29 -15.899 -3.720 -3.830 1.00 0.00 C ATOM 91 C ARG A 29 -14.524 -3.586 -4.467 1.00 0.00 C ATOM 92 O ARG A 29 -13.762 -2.679 -4.139 1.00 0.00 O ATOM 93 CB ARG A 29 -15.847 -4.746 -2.697 1.00 0.00 C ATOM 94 CG ARG A 29 -14.767 -4.456 -1.671 1.00 0.00 C ATOM 95 CD ARG A 29 -14.686 -5.543 -0.611 1.00 0.00 C ATOM 96 NE ARG A 29 -15.931 -5.679 0.141 1.00 0.00 N ATOM 97 CZ ARG A 29 -16.197 -6.695 0.961 1.00 0.00 C ATOM 98 NH1 ARG A 29 -15.332 -7.696 1.088 1.00 0.00 N ATOM 99 NH2 ARG A 29 -17.331 -6.716 1.646 1.00 0.00 N ATOM 0 H ARG A 29 -17.261 -5.052 -4.695 1.00 0.00 H new ATOM 0 HA ARG A 29 -16.200 -2.757 -3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -16.815 -4.773 -2.197 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.679 -5.736 -3.121 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -13.804 -4.366 -2.173 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -14.968 -3.497 -1.193 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.446 -6.494 -1.087 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.872 -5.316 0.077 1.00 0.00 H new ATOM 0 HE ARG A 29 -16.639 -4.953 0.032 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -14.461 -7.688 0.557 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -15.539 -8.472 1.717 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -18.001 -5.954 1.546 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.533 -7.494 2.273 1.00 0.00 H new ATOM 113 N LYS A 30 -14.221 -4.498 -5.382 1.00 0.00 N ATOM 114 CA LYS A 30 -12.950 -4.490 -6.084 1.00 0.00 C ATOM 115 C LYS A 30 -12.740 -3.162 -6.794 1.00 0.00 C ATOM 116 O LYS A 30 -11.682 -2.549 -6.661 1.00 0.00 O ATOM 117 CB LYS A 30 -12.882 -5.635 -7.099 1.00 0.00 C ATOM 118 CG LYS A 30 -11.511 -5.801 -7.733 1.00 0.00 C ATOM 119 CD LYS A 30 -10.511 -6.393 -6.754 1.00 0.00 C ATOM 120 CE LYS A 30 -10.721 -7.890 -6.580 1.00 0.00 C ATOM 121 NZ LYS A 30 -10.349 -8.646 -7.808 1.00 0.00 N ATOM 0 H LYS A 30 -14.846 -5.257 -5.655 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.159 -4.627 -5.346 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.160 -6.566 -6.604 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.618 -5.459 -7.884 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.590 -6.446 -8.608 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.151 -4.833 -8.081 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.498 -6.205 -7.109 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.607 -5.896 -5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.125 -8.246 -5.740 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.765 -8.085 -6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.243 -9.654 -7.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.094 -8.532 -8.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.450 -8.281 -8.182 1.00 0.00 H new ATOM 135 N ALA A 31 -13.746 -2.716 -7.547 1.00 0.00 N ATOM 136 CA ALA A 31 -13.680 -1.434 -8.232 1.00 0.00 C ATOM 137 C ALA A 31 -13.442 -0.292 -7.258 1.00 0.00 C ATOM 138 O ALA A 31 -12.689 0.635 -7.553 1.00 0.00 O ATOM 139 CB ALA A 31 -14.957 -1.192 -9.020 1.00 0.00 C ATOM 0 H ALA A 31 -14.616 -3.228 -7.695 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.835 -1.468 -8.920 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.894 -0.229 -9.528 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -15.085 -1.984 -9.758 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -15.809 -1.189 -8.340 1.00 0.00 H new ATOM 145 N ALA A 32 -14.068 -0.371 -6.091 1.00 0.00 N ATOM 146 CA ALA A 32 -13.920 0.662 -5.077 1.00 0.00 C ATOM 147 C ALA A 32 -12.496 0.676 -4.540 1.00 0.00 C ATOM 148 O ALA A 32 -11.898 1.736 -4.346 1.00 0.00 O ATOM 149 CB ALA A 32 -14.914 0.442 -3.946 1.00 0.00 C ATOM 0 H ALA A 32 -14.683 -1.140 -5.824 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.127 1.630 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.790 1.223 -3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -15.929 0.477 -4.342 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.736 -0.531 -3.489 1.00 0.00 H new ATOM 155 N LEU A 33 -11.953 -0.513 -4.320 1.00 0.00 N ATOM 156 CA LEU A 33 -10.584 -0.656 -3.847 1.00 0.00 C ATOM 157 C LEU A 33 -9.608 -0.217 -4.930 1.00 0.00 C ATOM 158 O LEU A 33 -8.596 0.428 -4.652 1.00 0.00 O ATOM 159 CB LEU A 33 -10.304 -2.108 -3.449 1.00 0.00 C ATOM 160 CG LEU A 33 -11.256 -2.695 -2.402 1.00 0.00 C ATOM 161 CD1 LEU A 33 -10.882 -4.135 -2.091 1.00 0.00 C ATOM 162 CD2 LEU A 33 -11.257 -1.856 -1.135 1.00 0.00 C ATOM 0 H LEU A 33 -12.443 -1.396 -4.462 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.452 -0.022 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.348 -2.728 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.285 -2.173 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.265 -2.681 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.568 -4.536 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.945 -4.732 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.864 -4.171 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.941 -2.295 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.251 -1.829 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.580 -0.842 -1.370 1.00 0.00 H new ATOM 174 N THR A 34 -9.933 -0.558 -6.169 1.00 0.00 N ATOM 175 CA THR A 34 -9.118 -0.179 -7.309 1.00 0.00 C ATOM 176 C THR A 34 -9.124 1.335 -7.477 1.00 0.00 C ATOM 177 O THR A 34 -8.098 1.942 -7.771 1.00 0.00 O ATOM 178 CB THR A 34 -9.621 -0.840 -8.608 1.00 0.00 C ATOM 179 OG1 THR A 34 -9.718 -2.260 -8.433 1.00 0.00 O ATOM 180 CG2 THR A 34 -8.689 -0.534 -9.770 1.00 0.00 C ATOM 0 H THR A 34 -10.763 -1.101 -6.409 1.00 0.00 H new ATOM 0 HA THR A 34 -8.102 -0.525 -7.118 1.00 0.00 H new ATOM 0 HB THR A 34 -10.606 -0.433 -8.835 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.505 -2.469 -7.888 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.066 -1.012 -10.674 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.640 0.544 -9.923 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.692 -0.915 -9.547 1.00 0.00 H new ATOM 188 N ASP A 35 -10.283 1.940 -7.245 1.00 0.00 N ATOM 189 CA ASP A 35 -10.433 3.385 -7.375 1.00 0.00 C ATOM 190 C ASP A 35 -9.635 4.093 -6.296 1.00 0.00 C ATOM 191 O ASP A 35 -9.007 5.120 -6.548 1.00 0.00 O ATOM 192 CB ASP A 35 -11.904 3.790 -7.284 1.00 0.00 C ATOM 193 CG ASP A 35 -12.098 5.290 -7.388 1.00 0.00 C ATOM 194 OD1 ASP A 35 -12.011 5.825 -8.511 1.00 0.00 O ATOM 195 OD2 ASP A 35 -12.348 5.936 -6.346 1.00 0.00 O ATOM 0 H ASP A 35 -11.134 1.452 -6.966 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.053 3.680 -8.353 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.463 3.298 -8.080 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.317 3.438 -6.339 1.00 0.00 H new ATOM 200 N MET A 36 -9.654 3.530 -5.095 1.00 0.00 N ATOM 201 CA MET A 36 -8.853 4.058 -4.000 1.00 0.00 C ATOM 202 C MET A 36 -7.374 3.985 -4.360 1.00 0.00 C ATOM 203 O MET A 36 -6.620 4.923 -4.120 1.00 0.00 O ATOM 204 CB MET A 36 -9.125 3.293 -2.699 1.00 0.00 C ATOM 205 CG MET A 36 -8.235 3.731 -1.549 1.00 0.00 C ATOM 206 SD MET A 36 -8.381 5.491 -1.192 1.00 0.00 S ATOM 207 CE MET A 36 -7.116 5.684 0.060 1.00 0.00 C ATOM 0 H MET A 36 -10.213 2.711 -4.855 1.00 0.00 H new ATOM 0 HA MET A 36 -9.131 5.100 -3.840 1.00 0.00 H new ATOM 0 HB2 MET A 36 -10.168 3.431 -2.415 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.981 2.227 -2.875 1.00 0.00 H new ATOM 0 HG2 MET A 36 -8.493 3.160 -0.657 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.197 3.497 -1.788 1.00 0.00 H new ATOM 0 HE1 MET A 36 -6.882 6.742 0.181 1.00 0.00 H new ATOM 0 HE2 MET A 36 -7.477 5.282 1.007 1.00 0.00 H new ATOM 0 HE3 MET A 36 -6.218 5.146 -0.244 1.00 0.00 H new ATOM 217 N LEU A 37 -6.976 2.870 -4.963 1.00 0.00 N ATOM 218 CA LEU A 37 -5.603 2.694 -5.418 1.00 0.00 C ATOM 219 C LEU A 37 -5.279 3.739 -6.488 1.00 0.00 C ATOM 220 O LEU A 37 -4.251 4.409 -6.421 1.00 0.00 O ATOM 221 CB LEU A 37 -5.421 1.267 -5.967 1.00 0.00 C ATOM 222 CG LEU A 37 -3.982 0.710 -6.044 1.00 0.00 C ATOM 223 CD1 LEU A 37 -3.127 1.478 -7.039 1.00 0.00 C ATOM 224 CD2 LEU A 37 -3.325 0.705 -4.671 1.00 0.00 C ATOM 0 H LEU A 37 -7.586 2.074 -5.148 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.916 2.832 -4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.011 0.591 -5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.848 1.235 -6.969 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.057 -0.318 -6.398 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.124 1.053 -7.061 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.572 1.408 -8.031 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.071 2.524 -6.739 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.313 0.308 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.285 1.723 -4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.905 0.080 -3.992 1.00 0.00 H new ATOM 236 N GLN A 38 -6.182 3.892 -7.458 1.00 0.00 N ATOM 237 CA GLN A 38 -5.983 4.835 -8.555 1.00 0.00 C ATOM 238 C GLN A 38 -5.904 6.268 -8.046 1.00 0.00 C ATOM 239 O GLN A 38 -5.146 7.073 -8.572 1.00 0.00 O ATOM 240 CB GLN A 38 -7.107 4.726 -9.590 1.00 0.00 C ATOM 241 CG GLN A 38 -7.190 3.375 -10.283 1.00 0.00 C ATOM 242 CD GLN A 38 -5.865 2.931 -10.873 1.00 0.00 C ATOM 243 OE1 GLN A 38 -5.543 3.243 -12.019 1.00 0.00 O ATOM 244 NE2 GLN A 38 -5.093 2.189 -10.097 1.00 0.00 N ATOM 0 H GLN A 38 -7.059 3.373 -7.504 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.036 4.576 -9.029 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.059 4.928 -9.098 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -6.967 5.500 -10.344 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.533 2.626 -9.569 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.936 3.424 -11.076 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.396 1.952 -9.152 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.194 1.853 -10.443 1.00 0.00 H new ATOM 253 N THR A 39 -6.696 6.582 -7.030 1.00 0.00 N ATOM 254 CA THR A 39 -6.689 7.910 -6.435 1.00 0.00 C ATOM 255 C THR A 39 -5.450 8.103 -5.557 1.00 0.00 C ATOM 256 O THR A 39 -4.951 9.216 -5.389 1.00 0.00 O ATOM 257 CB THR A 39 -7.962 8.135 -5.594 1.00 0.00 C ATOM 258 OG1 THR A 39 -9.124 7.783 -6.364 1.00 0.00 O ATOM 259 CG2 THR A 39 -8.074 9.587 -5.143 1.00 0.00 C ATOM 0 H THR A 39 -7.354 5.932 -6.600 1.00 0.00 H new ATOM 0 HA THR A 39 -6.665 8.640 -7.244 1.00 0.00 H new ATOM 0 HB THR A 39 -7.899 7.502 -4.709 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.339 6.838 -6.218 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.981 9.716 -4.552 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.206 9.848 -4.537 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.115 10.237 -6.017 1.00 0.00 H new ATOM 267 N PHE A 40 -4.956 7.002 -5.010 1.00 0.00 N ATOM 268 CA PHE A 40 -3.792 7.028 -4.138 1.00 0.00 C ATOM 269 C PHE A 40 -2.515 7.326 -4.927 1.00 0.00 C ATOM 270 O PHE A 40 -1.602 7.979 -4.418 1.00 0.00 O ATOM 271 CB PHE A 40 -3.660 5.699 -3.392 1.00 0.00 C ATOM 272 CG PHE A 40 -2.661 5.725 -2.272 1.00 0.00 C ATOM 273 CD1 PHE A 40 -1.782 4.673 -2.093 1.00 0.00 C ATOM 274 CD2 PHE A 40 -2.597 6.804 -1.402 1.00 0.00 C ATOM 275 CE1 PHE A 40 -0.861 4.692 -1.071 1.00 0.00 C ATOM 276 CE2 PHE A 40 -1.675 6.828 -0.376 1.00 0.00 C ATOM 277 CZ PHE A 40 -0.804 5.771 -0.210 1.00 0.00 C ATOM 0 H PHE A 40 -5.348 6.072 -5.157 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.931 7.829 -3.412 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.634 5.421 -2.990 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.375 4.922 -4.102 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.819 3.827 -2.763 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.276 7.634 -1.529 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.182 3.862 -0.942 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.635 7.673 0.296 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.080 5.787 0.591 1.00 0.00 H new ATOM 287 N VAL A 41 -2.447 6.831 -6.160 1.00 0.00 N ATOM 288 CA VAL A 41 -1.270 7.026 -7.008 1.00 0.00 C ATOM 289 C VAL A 41 -0.886 8.515 -7.145 1.00 0.00 C ATOM 290 O VAL A 41 0.285 8.858 -6.976 1.00 0.00 O ATOM 291 CB VAL A 41 -1.452 6.389 -8.405 1.00 0.00 C ATOM 292 CG1 VAL A 41 -0.238 6.648 -9.281 1.00 0.00 C ATOM 293 CG2 VAL A 41 -1.701 4.894 -8.279 1.00 0.00 C ATOM 0 H VAL A 41 -3.194 6.291 -6.597 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.449 6.515 -6.505 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.319 6.850 -8.877 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.390 6.190 -10.258 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.099 7.722 -9.401 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.647 6.218 -8.813 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.827 4.461 -9.271 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.851 4.424 -7.783 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.603 4.724 -7.692 1.00 0.00 H new ATOM 303 N PRO A 42 -1.844 9.425 -7.455 1.00 0.00 N ATOM 304 CA PRO A 42 -1.579 10.870 -7.471 1.00 0.00 C ATOM 305 C PRO A 42 -0.965 11.380 -6.171 1.00 0.00 C ATOM 306 O PRO A 42 -0.220 12.362 -6.176 1.00 0.00 O ATOM 307 CB PRO A 42 -2.957 11.497 -7.678 1.00 0.00 C ATOM 308 CG PRO A 42 -3.743 10.452 -8.380 1.00 0.00 C ATOM 309 CD PRO A 42 -3.225 9.132 -7.878 1.00 0.00 C ATOM 0 HA PRO A 42 -0.855 11.124 -8.246 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.417 11.767 -6.727 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.892 12.409 -8.271 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.807 10.558 -8.170 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.622 10.533 -9.460 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.825 8.758 -7.049 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.250 8.371 -8.658 1.00 0.00 H new ATOM 317 N TYR A 43 -1.269 10.723 -5.051 1.00 0.00 N ATOM 318 CA TYR A 43 -0.671 11.101 -3.774 1.00 0.00 C ATOM 319 C TYR A 43 0.765 10.608 -3.731 1.00 0.00 C ATOM 320 O TYR A 43 1.667 11.290 -3.243 1.00 0.00 O ATOM 321 CB TYR A 43 -1.447 10.513 -2.590 1.00 0.00 C ATOM 322 CG TYR A 43 -2.785 11.171 -2.334 1.00 0.00 C ATOM 323 CD1 TYR A 43 -3.940 10.724 -2.961 1.00 0.00 C ATOM 324 CD2 TYR A 43 -2.890 12.238 -1.450 1.00 0.00 C ATOM 325 CE1 TYR A 43 -5.160 11.321 -2.716 1.00 0.00 C ATOM 326 CE2 TYR A 43 -4.107 12.841 -1.202 1.00 0.00 C ATOM 327 CZ TYR A 43 -5.239 12.379 -1.838 1.00 0.00 C ATOM 328 OH TYR A 43 -6.455 12.972 -1.592 1.00 0.00 O ATOM 0 H TYR A 43 -1.917 9.937 -5.003 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.704 12.187 -3.691 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.606 9.449 -2.767 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.836 10.598 -1.692 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.883 9.896 -3.652 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.005 12.602 -0.949 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -6.049 10.960 -3.211 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.172 13.670 -0.513 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.339 13.702 -0.949 1.00 0.00 H new ATOM 338 N ARG A 44 0.957 9.403 -4.255 1.00 0.00 N ATOM 339 CA ARG A 44 2.261 8.767 -4.278 1.00 0.00 C ATOM 340 C ARG A 44 3.253 9.600 -5.058 1.00 0.00 C ATOM 341 O ARG A 44 4.391 9.727 -4.650 1.00 0.00 O ATOM 342 CB ARG A 44 2.191 7.361 -4.875 1.00 0.00 C ATOM 343 CG ARG A 44 1.492 6.352 -3.984 1.00 0.00 C ATOM 344 CD ARG A 44 2.115 6.307 -2.590 1.00 0.00 C ATOM 345 NE ARG A 44 3.577 6.250 -2.634 1.00 0.00 N ATOM 346 CZ ARG A 44 4.355 6.217 -1.553 1.00 0.00 C ATOM 347 NH1 ARG A 44 3.816 6.142 -0.338 1.00 0.00 N ATOM 348 NH2 ARG A 44 5.671 6.254 -1.690 1.00 0.00 N ATOM 0 H ARG A 44 0.213 8.844 -4.674 1.00 0.00 H new ATOM 0 HA ARG A 44 2.596 8.686 -3.244 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.671 7.408 -5.832 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.203 7.012 -5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.435 6.607 -3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.547 5.363 -4.440 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.805 7.188 -2.028 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.736 5.437 -2.054 1.00 0.00 H new ATOM 0 HE ARG A 44 4.028 6.235 -3.549 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.802 6.109 -0.231 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.417 6.117 0.486 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.086 6.308 -2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.271 6.229 -0.865 1.00 0.00 H new ATOM 362 N THR A 45 2.818 10.163 -6.176 1.00 0.00 N ATOM 363 CA THR A 45 3.666 11.037 -6.977 1.00 0.00 C ATOM 364 C THR A 45 4.300 12.148 -6.130 1.00 0.00 C ATOM 365 O THR A 45 5.489 12.429 -6.258 1.00 0.00 O ATOM 366 CB THR A 45 2.845 11.657 -8.121 1.00 0.00 C ATOM 367 OG1 THR A 45 2.160 10.616 -8.836 1.00 0.00 O ATOM 368 CG2 THR A 45 3.729 12.439 -9.080 1.00 0.00 C ATOM 0 H THR A 45 1.879 10.030 -6.551 1.00 0.00 H new ATOM 0 HA THR A 45 4.473 10.431 -7.389 1.00 0.00 H new ATOM 0 HB THR A 45 2.124 12.350 -7.686 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.635 11.010 -9.564 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.117 12.863 -9.876 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.230 13.242 -8.540 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.475 11.773 -9.513 1.00 0.00 H new ATOM 376 N ALA A 46 3.522 12.739 -5.236 1.00 0.00 N ATOM 377 CA ALA A 46 4.039 13.771 -4.339 1.00 0.00 C ATOM 378 C ALA A 46 5.108 13.186 -3.419 1.00 0.00 C ATOM 379 O ALA A 46 6.134 13.816 -3.135 1.00 0.00 O ATOM 380 CB ALA A 46 2.903 14.367 -3.519 1.00 0.00 C ATOM 0 H ALA A 46 2.533 12.525 -5.109 1.00 0.00 H new ATOM 0 HA ALA A 46 4.492 14.562 -4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.298 15.135 -2.854 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.166 14.811 -4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.431 13.583 -2.927 1.00 0.00 H new ATOM 386 N VAL A 47 4.854 11.962 -2.986 1.00 0.00 N ATOM 387 CA VAL A 47 5.761 11.245 -2.098 1.00 0.00 C ATOM 388 C VAL A 47 7.015 10.790 -2.848 1.00 0.00 C ATOM 389 O VAL A 47 8.127 10.859 -2.330 1.00 0.00 O ATOM 390 CB VAL A 47 5.075 10.026 -1.446 1.00 0.00 C ATOM 391 CG1 VAL A 47 6.047 9.289 -0.538 1.00 0.00 C ATOM 392 CG2 VAL A 47 3.843 10.457 -0.663 1.00 0.00 C ATOM 0 H VAL A 47 4.017 11.437 -3.238 1.00 0.00 H new ATOM 0 HA VAL A 47 6.049 11.939 -1.309 1.00 0.00 H new ATOM 0 HB VAL A 47 4.759 9.349 -2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.546 8.433 -0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.900 8.944 -1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.393 9.962 0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.374 9.582 -0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.136 11.157 0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.135 10.941 -1.336 1.00 0.00 H new ATOM 402 N GLU A 48 6.831 10.333 -4.077 1.00 0.00 N ATOM 403 CA GLU A 48 7.938 9.853 -4.889 1.00 0.00 C ATOM 404 C GLU A 48 8.874 11.001 -5.236 1.00 0.00 C ATOM 405 O GLU A 48 10.088 10.824 -5.319 1.00 0.00 O ATOM 406 CB GLU A 48 7.437 9.191 -6.180 1.00 0.00 C ATOM 407 CG GLU A 48 6.492 8.019 -5.963 1.00 0.00 C ATOM 408 CD GLU A 48 7.091 6.924 -5.105 1.00 0.00 C ATOM 409 OE1 GLU A 48 8.241 6.516 -5.368 1.00 0.00 O ATOM 410 OE2 GLU A 48 6.404 6.447 -4.175 1.00 0.00 O ATOM 0 H GLU A 48 5.921 10.284 -4.535 1.00 0.00 H new ATOM 0 HA GLU A 48 8.477 9.107 -4.306 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.930 9.942 -6.786 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.297 8.846 -6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.577 8.380 -5.494 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.212 7.602 -6.930 1.00 0.00 H new ATOM 417 N LEU A 49 8.302 12.183 -5.432 1.00 0.00 N ATOM 418 CA LEU A 49 9.081 13.360 -5.786 1.00 0.00 C ATOM 419 C LEU A 49 10.008 13.784 -4.658 1.00 0.00 C ATOM 420 O LEU A 49 11.183 14.074 -4.896 1.00 0.00 O ATOM 421 CB LEU A 49 8.168 14.520 -6.180 1.00 0.00 C ATOM 422 CG LEU A 49 7.998 14.732 -7.689 1.00 0.00 C ATOM 423 CD1 LEU A 49 9.333 15.069 -8.333 1.00 0.00 C ATOM 424 CD2 LEU A 49 7.385 13.507 -8.348 1.00 0.00 C ATOM 0 H LEU A 49 7.299 12.350 -5.351 1.00 0.00 H new ATOM 0 HA LEU A 49 9.698 13.090 -6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.185 14.354 -5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.563 15.437 -5.742 1.00 0.00 H new ATOM 0 HG LEU A 49 7.318 15.571 -7.836 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.193 15.216 -9.404 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.730 15.982 -7.890 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.034 14.251 -8.167 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.276 13.686 -9.418 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.033 12.645 -8.188 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.406 13.311 -7.911 1.00 0.00 H new ATOM 436 N CYS A 50 9.498 13.817 -3.433 1.00 0.00 N ATOM 437 CA CYS A 50 10.342 14.160 -2.297 1.00 0.00 C ATOM 438 C CYS A 50 11.333 13.032 -2.033 1.00 0.00 C ATOM 439 O CYS A 50 12.487 13.272 -1.672 1.00 0.00 O ATOM 440 CB CYS A 50 9.502 14.479 -1.052 1.00 0.00 C ATOM 441 SG CYS A 50 8.267 13.214 -0.609 1.00 0.00 S ATOM 0 H CYS A 50 8.525 13.615 -3.204 1.00 0.00 H new ATOM 0 HA CYS A 50 10.903 15.063 -2.537 1.00 0.00 H new ATOM 0 HB2 CYS A 50 10.174 14.621 -0.206 1.00 0.00 H new ATOM 0 HB3 CYS A 50 8.988 15.426 -1.213 1.00 0.00 H new ATOM 446 N ALA A 51 10.875 11.799 -2.238 1.00 0.00 N ATOM 447 CA ALA A 51 11.742 10.626 -2.160 1.00 0.00 C ATOM 448 C ALA A 51 12.936 10.751 -3.099 1.00 0.00 C ATOM 449 O ALA A 51 14.027 10.296 -2.785 1.00 0.00 O ATOM 450 CB ALA A 51 10.961 9.364 -2.486 1.00 0.00 C ATOM 0 H ALA A 51 9.903 11.586 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 51 12.117 10.563 -1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.623 8.500 -2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.144 9.248 -1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.555 9.438 -3.495 1.00 0.00 H new ATOM 456 N LEU A 52 12.725 11.374 -4.248 1.00 0.00 N ATOM 457 CA LEU A 52 13.794 11.557 -5.225 1.00 0.00 C ATOM 458 C LEU A 52 14.687 12.732 -4.842 1.00 0.00 C ATOM 459 O LEU A 52 15.886 12.728 -5.118 1.00 0.00 O ATOM 460 CB LEU A 52 13.213 11.785 -6.625 1.00 0.00 C ATOM 461 CG LEU A 52 12.529 10.572 -7.267 1.00 0.00 C ATOM 462 CD1 LEU A 52 11.831 10.977 -8.557 1.00 0.00 C ATOM 463 CD2 LEU A 52 13.539 9.467 -7.537 1.00 0.00 C ATOM 0 H LEU A 52 11.825 11.762 -4.529 1.00 0.00 H new ATOM 0 HA LEU A 52 14.396 10.648 -5.233 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.491 12.599 -6.570 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.017 12.116 -7.282 1.00 0.00 H new ATOM 0 HG LEU A 52 11.781 10.192 -6.571 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.351 10.105 -9.000 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.078 11.735 -8.341 1.00 0.00 H new ATOM 0 HD13 LEU A 52 12.563 11.382 -9.255 1.00 0.00 H new ATOM 0 HD21 LEU A 52 13.034 8.615 -7.993 1.00 0.00 H new ATOM 0 HD22 LEU A 52 14.310 9.836 -8.214 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.998 9.157 -6.599 1.00 0.00 H new ATOM 475 N GLU A 53 14.093 13.726 -4.196 1.00 0.00 N ATOM 476 CA GLU A 53 14.799 14.951 -3.832 1.00 0.00 C ATOM 477 C GLU A 53 15.885 14.669 -2.793 1.00 0.00 C ATOM 478 O GLU A 53 16.940 15.300 -2.789 1.00 0.00 O ATOM 479 CB GLU A 53 13.806 15.982 -3.291 1.00 0.00 C ATOM 480 CG GLU A 53 14.293 17.416 -3.403 1.00 0.00 C ATOM 481 CD GLU A 53 14.409 17.873 -4.843 1.00 0.00 C ATOM 482 OE1 GLU A 53 15.520 17.799 -5.409 1.00 0.00 O ATOM 483 OE2 GLU A 53 13.384 18.300 -5.421 1.00 0.00 O ATOM 0 H GLU A 53 13.114 13.709 -3.910 1.00 0.00 H new ATOM 0 HA GLU A 53 15.280 15.350 -4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.864 15.884 -3.831 1.00 0.00 H new ATOM 0 HB3 GLU A 53 13.598 15.759 -2.245 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.606 18.073 -2.870 1.00 0.00 H new ATOM 0 HG3 GLU A 53 15.264 17.507 -2.916 1.00 0.00 H new ATOM 490 N HIS A 54 15.618 13.712 -1.914 1.00 0.00 N ATOM 491 CA HIS A 54 16.581 13.337 -0.879 1.00 0.00 C ATOM 492 C HIS A 54 17.175 11.959 -1.180 1.00 0.00 C ATOM 493 O HIS A 54 18.167 11.544 -0.582 1.00 0.00 O ATOM 494 CB HIS A 54 15.900 13.358 0.497 1.00 0.00 C ATOM 495 CG HIS A 54 16.800 12.993 1.641 1.00 0.00 C ATOM 496 ND1 HIS A 54 17.808 13.810 2.102 1.00 0.00 N ATOM 497 CD2 HIS A 54 16.834 11.885 2.418 1.00 0.00 C ATOM 498 CE1 HIS A 54 18.423 13.221 3.112 1.00 0.00 C ATOM 499 NE2 HIS A 54 17.851 12.051 3.323 1.00 0.00 N ATOM 0 H HIS A 54 14.747 13.181 -1.894 1.00 0.00 H new ATOM 0 HA HIS A 54 17.398 14.058 -0.870 1.00 0.00 H new ATOM 0 HB2 HIS A 54 15.495 14.355 0.673 1.00 0.00 H new ATOM 0 HB3 HIS A 54 15.055 12.669 0.481 1.00 0.00 H new ATOM 0 HD2 HIS A 54 16.181 11.028 2.340 1.00 0.00 H new ATOM 0 HE1 HIS A 54 19.253 13.628 3.670 1.00 0.00 H new ATOM 0 HE2 HIS A 54 18.121 11.380 4.042 1.00 0.00 H new ATOM 508 N GLY A 55 16.551 11.260 -2.114 1.00 0.00 N ATOM 509 CA GLY A 55 16.949 9.911 -2.491 1.00 0.00 C ATOM 510 C GLY A 55 16.444 8.875 -1.500 1.00 0.00 C ATOM 511 O GLY A 55 16.371 7.685 -1.811 1.00 0.00 O ATOM 0 H GLY A 55 15.749 11.614 -2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.563 9.682 -3.484 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.036 9.856 -2.552 1.00 0.00 H new ATOM 515 N GLY A 56 16.104 9.334 -0.304 1.00 0.00 N ATOM 516 CA GLY A 56 15.275 8.547 0.583 1.00 0.00 C ATOM 517 C GLY A 56 13.985 9.257 0.942 1.00 0.00 C ATOM 518 O GLY A 56 13.937 10.488 0.983 1.00 0.00 O ATOM 0 H GLY A 56 16.389 10.240 0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 56 15.043 7.593 0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.830 8.324 1.494 1.00 0.00 H new ATOM 522 N LEU A 57 12.949 8.476 1.223 1.00 0.00 N ATOM 523 CA LEU A 57 11.624 9.004 1.544 1.00 0.00 C ATOM 524 C LEU A 57 11.585 9.609 2.941 1.00 0.00 C ATOM 525 O LEU A 57 10.547 10.094 3.381 1.00 0.00 O ATOM 526 CB LEU A 57 10.564 7.913 1.431 1.00 0.00 C ATOM 527 CG LEU A 57 10.544 7.164 0.101 1.00 0.00 C ATOM 528 CD1 LEU A 57 11.148 5.778 0.262 1.00 0.00 C ATOM 529 CD2 LEU A 57 9.131 7.084 -0.446 1.00 0.00 C ATOM 0 H LEU A 57 13.001 7.457 1.235 1.00 0.00 H new ATOM 0 HA LEU A 57 11.409 9.791 0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.720 7.192 2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.584 8.362 1.592 1.00 0.00 H new ATOM 0 HG LEU A 57 11.151 7.716 -0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.126 5.258 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.180 5.868 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.572 5.213 0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.138 6.547 -1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.495 6.557 0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.744 8.091 -0.602 1.00 0.00 H new ATOM 541 N ASP A 58 12.703 9.527 3.646 1.00 0.00 N ATOM 542 CA ASP A 58 12.825 10.067 4.999 1.00 0.00 C ATOM 543 C ASP A 58 12.293 11.498 5.101 1.00 0.00 C ATOM 544 O ASP A 58 11.700 11.877 6.111 1.00 0.00 O ATOM 545 CB ASP A 58 14.289 10.024 5.445 1.00 0.00 C ATOM 546 CG ASP A 58 14.529 10.735 6.765 1.00 0.00 C ATOM 547 OD1 ASP A 58 15.053 11.869 6.747 1.00 0.00 O ATOM 548 OD2 ASP A 58 14.206 10.165 7.829 1.00 0.00 O ATOM 0 H ASP A 58 13.554 9.085 3.299 1.00 0.00 H new ATOM 0 HA ASP A 58 12.217 9.445 5.656 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.605 8.985 5.536 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.911 10.480 4.675 1.00 0.00 H new ATOM 553 N THR A 59 12.481 12.283 4.049 1.00 0.00 N ATOM 554 CA THR A 59 12.022 13.667 4.031 1.00 0.00 C ATOM 555 C THR A 59 10.508 13.764 3.816 1.00 0.00 C ATOM 556 O THR A 59 9.915 14.830 3.995 1.00 0.00 O ATOM 557 CB THR A 59 12.740 14.472 2.919 1.00 0.00 C ATOM 558 OG1 THR A 59 12.307 15.840 2.926 1.00 0.00 O ATOM 559 CG2 THR A 59 12.481 13.865 1.547 1.00 0.00 C ATOM 0 H THR A 59 12.950 11.985 3.194 1.00 0.00 H new ATOM 0 HA THR A 59 12.264 14.089 5.006 1.00 0.00 H new ATOM 0 HB THR A 59 13.810 14.432 3.123 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.400 15.894 3.294 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.997 14.451 0.787 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.850 12.839 1.527 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.410 13.869 1.343 1.00 0.00 H new ATOM 567 N CYS A 60 9.884 12.653 3.468 1.00 0.00 N ATOM 568 CA CYS A 60 8.473 12.649 3.113 1.00 0.00 C ATOM 569 C CYS A 60 7.608 12.330 4.329 1.00 0.00 C ATOM 570 O CYS A 60 7.015 11.255 4.430 1.00 0.00 O ATOM 571 CB CYS A 60 8.225 11.641 1.991 1.00 0.00 C ATOM 572 SG CYS A 60 9.295 11.890 0.539 1.00 0.00 S ATOM 0 H CYS A 60 10.333 11.738 3.423 1.00 0.00 H new ATOM 0 HA CYS A 60 8.197 13.643 2.761 1.00 0.00 H new ATOM 0 HB2 CYS A 60 8.380 10.634 2.378 1.00 0.00 H new ATOM 0 HB3 CYS A 60 7.183 11.706 1.679 1.00 0.00 H new ATOM 577 N ASP A 61 7.571 13.268 5.260 1.00 0.00 N ATOM 578 CA ASP A 61 6.742 13.143 6.454 1.00 0.00 C ATOM 579 C ASP A 61 5.461 13.949 6.297 1.00 0.00 C ATOM 580 O ASP A 61 5.503 15.118 5.913 1.00 0.00 O ATOM 581 CB ASP A 61 7.519 13.636 7.678 1.00 0.00 C ATOM 582 CG ASP A 61 6.678 13.681 8.941 1.00 0.00 C ATOM 583 OD1 ASP A 61 6.407 12.607 9.515 1.00 0.00 O ATOM 584 OD2 ASP A 61 6.307 14.791 9.377 1.00 0.00 O ATOM 0 H ASP A 61 8.109 14.133 5.214 1.00 0.00 H new ATOM 0 HA ASP A 61 6.480 12.094 6.591 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.376 12.984 7.843 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.911 14.632 7.474 1.00 0.00 H new ATOM 589 N GLY A 62 4.328 13.326 6.595 1.00 0.00 N ATOM 590 CA GLY A 62 3.049 13.999 6.458 1.00 0.00 C ATOM 591 C GLY A 62 2.850 15.077 7.503 1.00 0.00 C ATOM 592 O GLY A 62 2.291 14.824 8.571 1.00 0.00 O ATOM 0 H GLY A 62 4.271 12.364 6.930 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.979 14.442 5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.246 13.267 6.538 1.00 0.00 H new ATOM 596 N GLY A 63 3.305 16.282 7.192 1.00 0.00 N ATOM 597 CA GLY A 63 3.217 17.377 8.133 1.00 0.00 C ATOM 598 C GLY A 63 4.516 18.156 8.240 1.00 0.00 C ATOM 599 O GLY A 63 4.592 19.135 8.979 1.00 0.00 O ATOM 0 H GLY A 63 3.736 16.521 6.299 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.417 18.051 7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.948 16.988 9.115 1.00 0.00 H new ATOM 603 N SER A 64 5.538 17.725 7.507 1.00 0.00 N ATOM 604 CA SER A 64 6.831 18.396 7.531 1.00 0.00 C ATOM 605 C SER A 64 7.433 18.441 6.128 1.00 0.00 C ATOM 606 O SER A 64 6.946 17.764 5.220 1.00 0.00 O ATOM 607 CB SER A 64 7.784 17.661 8.477 1.00 0.00 C ATOM 608 OG SER A 64 7.161 17.384 9.721 1.00 0.00 O ATOM 0 H SER A 64 5.495 16.914 6.890 1.00 0.00 H new ATOM 0 HA SER A 64 6.686 19.416 7.886 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.111 16.729 8.016 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.676 18.266 8.641 1.00 0.00 H new ATOM 0 HG SER A 64 6.782 16.480 9.703 1.00 0.00 H new ATOM 614 N ASN A 65 8.491 19.237 5.959 1.00 0.00 N ATOM 615 CA ASN A 65 9.232 19.318 4.694 1.00 0.00 C ATOM 616 C ASN A 65 8.331 19.648 3.506 1.00 0.00 C ATOM 617 O ASN A 65 8.497 19.098 2.414 1.00 0.00 O ATOM 618 CB ASN A 65 9.986 18.010 4.439 1.00 0.00 C ATOM 619 CG ASN A 65 11.151 17.820 5.399 1.00 0.00 C ATOM 620 OD1 ASN A 65 11.804 18.787 5.795 1.00 0.00 O ATOM 621 ND2 ASN A 65 11.408 16.582 5.802 1.00 0.00 N ATOM 0 H ASN A 65 8.859 19.843 6.692 1.00 0.00 H new ATOM 0 HA ASN A 65 9.944 20.138 4.792 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.297 17.171 4.536 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.357 18.001 3.414 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.167 16.407 6.461 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.846 15.805 5.453 1.00 0.00 H new ATOM 628 N GLY A 66 7.371 20.538 3.723 1.00 0.00 N ATOM 629 CA GLY A 66 6.488 20.954 2.651 1.00 0.00 C ATOM 630 C GLY A 66 5.348 19.980 2.426 1.00 0.00 C ATOM 631 O GLY A 66 4.351 20.318 1.787 1.00 0.00 O ATOM 0 H GLY A 66 7.188 20.980 4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.080 21.938 2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.062 21.055 1.730 1.00 0.00 H new ATOM 635 N ILE A 67 5.493 18.773 2.951 1.00 0.00 N ATOM 636 CA ILE A 67 4.474 17.751 2.811 1.00 0.00 C ATOM 637 C ILE A 67 3.378 17.994 3.840 1.00 0.00 C ATOM 638 O ILE A 67 3.651 18.037 5.038 1.00 0.00 O ATOM 639 CB ILE A 67 5.058 16.332 3.011 1.00 0.00 C ATOM 640 CG1 ILE A 67 6.240 16.081 2.062 1.00 0.00 C ATOM 641 CG2 ILE A 67 3.981 15.275 2.800 1.00 0.00 C ATOM 642 CD1 ILE A 67 5.873 16.147 0.594 1.00 0.00 C ATOM 0 H ILE A 67 6.313 18.479 3.481 1.00 0.00 H new ATOM 0 HA ILE A 67 4.070 17.810 1.800 1.00 0.00 H new ATOM 0 HB ILE A 67 5.423 16.263 4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.019 16.816 2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.664 15.100 2.277 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.411 14.284 2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.174 15.429 3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.586 15.355 1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.760 15.959 -0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.117 15.393 0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.478 17.136 0.362 1.00 0.00 H new ATOM 654 N PRO A 68 2.134 18.180 3.392 1.00 0.00 N ATOM 655 CA PRO A 68 1.019 18.450 4.293 1.00 0.00 C ATOM 656 C PRO A 68 0.534 17.193 5.004 1.00 0.00 C ATOM 657 O PRO A 68 0.656 16.082 4.476 1.00 0.00 O ATOM 658 CB PRO A 68 -0.061 18.993 3.360 1.00 0.00 C ATOM 659 CG PRO A 68 0.225 18.377 2.034 1.00 0.00 C ATOM 660 CD PRO A 68 1.714 18.138 1.978 1.00 0.00 C ATOM 0 HA PRO A 68 1.293 19.137 5.093 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.057 18.725 3.712 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.024 20.081 3.305 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.322 17.441 1.916 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.092 19.035 1.225 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.947 17.177 1.520 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.219 18.903 1.388 1.00 0.00 H new ATOM 668 N SER A 69 0.025 17.382 6.218 1.00 0.00 N ATOM 669 CA SER A 69 -0.606 16.314 6.981 1.00 0.00 C ATOM 670 C SER A 69 -1.562 15.520 6.095 1.00 0.00 C ATOM 671 O SER A 69 -2.303 16.103 5.297 1.00 0.00 O ATOM 672 CB SER A 69 -1.359 16.923 8.163 1.00 0.00 C ATOM 673 OG SER A 69 -0.501 17.750 8.930 1.00 0.00 O ATOM 0 H SER A 69 0.039 18.281 6.699 1.00 0.00 H new ATOM 0 HA SER A 69 0.159 15.631 7.350 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.206 17.506 7.800 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.764 16.129 8.791 1.00 0.00 H new ATOM 0 HG SER A 69 -1.001 18.132 9.681 1.00 0.00 H new ATOM 679 N PRO A 70 -1.534 14.177 6.217 1.00 0.00 N ATOM 680 CA PRO A 70 -2.271 13.273 5.328 1.00 0.00 C ATOM 681 C PRO A 70 -3.733 13.664 5.182 1.00 0.00 C ATOM 682 O PRO A 70 -4.472 13.753 6.165 1.00 0.00 O ATOM 683 CB PRO A 70 -2.152 11.901 6.007 1.00 0.00 C ATOM 684 CG PRO A 70 -1.589 12.168 7.362 1.00 0.00 C ATOM 685 CD PRO A 70 -0.795 13.435 7.241 1.00 0.00 C ATOM 0 HA PRO A 70 -1.866 13.294 4.316 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.124 11.413 6.076 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.502 11.237 5.437 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.384 12.275 8.100 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.958 11.343 7.691 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.753 13.979 8.185 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.234 13.241 6.938 1.00 0.00 H new ATOM 693 N THR A 71 -4.140 13.871 3.945 1.00 0.00 N ATOM 694 CA THR A 71 -5.474 14.347 3.649 1.00 0.00 C ATOM 695 C THR A 71 -6.415 13.196 3.343 1.00 0.00 C ATOM 696 O THR A 71 -6.122 12.346 2.501 1.00 0.00 O ATOM 697 CB THR A 71 -5.453 15.317 2.456 1.00 0.00 C ATOM 698 OG1 THR A 71 -4.766 14.713 1.351 1.00 0.00 O ATOM 699 CG2 THR A 71 -4.772 16.625 2.829 1.00 0.00 C ATOM 0 H THR A 71 -3.558 13.715 3.122 1.00 0.00 H new ATOM 0 HA THR A 71 -5.836 14.870 4.534 1.00 0.00 H new ATOM 0 HB THR A 71 -6.483 15.534 2.173 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.918 13.745 1.361 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.771 17.293 1.968 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.312 17.095 3.651 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.745 16.426 3.136 1.00 0.00 H new ATOM 707 N THR A 72 -7.543 13.182 4.021 1.00 0.00 N ATOM 708 CA THR A 72 -8.543 12.166 3.794 1.00 0.00 C ATOM 709 C THR A 72 -9.688 12.731 2.973 1.00 0.00 C ATOM 710 O THR A 72 -10.248 13.784 3.294 1.00 0.00 O ATOM 711 CB THR A 72 -9.082 11.598 5.122 1.00 0.00 C ATOM 712 OG1 THR A 72 -9.448 12.668 6.003 1.00 0.00 O ATOM 713 CG2 THR A 72 -8.046 10.714 5.799 1.00 0.00 C ATOM 0 H THR A 72 -7.789 13.866 4.736 1.00 0.00 H new ATOM 0 HA THR A 72 -8.070 11.352 3.244 1.00 0.00 H new ATOM 0 HB THR A 72 -9.961 10.993 4.897 1.00 0.00 H new ATOM 0 HG1 THR A 72 -9.769 13.430 5.477 1.00 0.00 H new ATOM 0 HG21 THR A 72 -8.453 10.327 6.733 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.792 9.882 5.142 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.150 11.298 6.008 1.00 0.00 H new ATOM 721 N THR A 73 -10.002 12.045 1.889 1.00 0.00 N ATOM 722 CA THR A 73 -11.099 12.426 1.027 1.00 0.00 C ATOM 723 C THR A 73 -12.406 11.947 1.636 1.00 0.00 C ATOM 724 O THR A 73 -12.396 11.300 2.686 1.00 0.00 O ATOM 725 CB THR A 73 -10.955 11.835 -0.393 1.00 0.00 C ATOM 726 OG1 THR A 73 -11.178 10.423 -0.357 1.00 0.00 O ATOM 727 CG2 THR A 73 -9.574 12.117 -0.967 1.00 0.00 C ATOM 0 H THR A 73 -9.503 11.209 1.584 1.00 0.00 H new ATOM 0 HA THR A 73 -11.089 13.512 0.939 1.00 0.00 H new ATOM 0 HB THR A 73 -11.699 12.309 -1.034 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.087 10.054 -1.260 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.501 11.689 -1.967 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.415 13.194 -1.020 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.815 11.670 -0.325 1.00 0.00 H new ATOM 735 N ARG A 74 -13.519 12.260 0.997 1.00 0.00 N ATOM 736 CA ARG A 74 -14.822 11.837 1.496 1.00 0.00 C ATOM 737 C ARG A 74 -14.877 10.320 1.727 1.00 0.00 C ATOM 738 O ARG A 74 -15.514 9.858 2.676 1.00 0.00 O ATOM 739 CB ARG A 74 -15.956 12.267 0.542 1.00 0.00 C ATOM 740 CG ARG A 74 -15.905 11.650 -0.860 1.00 0.00 C ATOM 741 CD ARG A 74 -14.798 12.245 -1.725 1.00 0.00 C ATOM 742 NE ARG A 74 -14.753 11.637 -3.053 1.00 0.00 N ATOM 743 CZ ARG A 74 -13.743 11.783 -3.913 1.00 0.00 C ATOM 744 NH1 ARG A 74 -12.707 12.561 -3.614 1.00 0.00 N ATOM 745 NH2 ARG A 74 -13.783 11.169 -5.088 1.00 0.00 N ATOM 0 H ARG A 74 -13.551 12.803 0.134 1.00 0.00 H new ATOM 0 HA ARG A 74 -14.968 12.333 2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -16.911 12.008 1.000 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -15.933 13.352 0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -15.754 10.574 -0.774 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -16.866 11.799 -1.353 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -14.953 13.319 -1.823 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -13.837 12.106 -1.230 1.00 0.00 H new ATOM 0 HE ARG A 74 -15.546 11.063 -3.342 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.679 13.053 -2.721 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.940 12.666 -4.278 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.584 10.587 -5.332 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.012 11.279 -5.747 1.00 0.00 H new ATOM 759 N TYR A 75 -14.201 9.540 0.886 1.00 0.00 N ATOM 760 CA TYR A 75 -14.222 8.090 1.038 1.00 0.00 C ATOM 761 C TYR A 75 -13.024 7.562 1.824 1.00 0.00 C ATOM 762 O TYR A 75 -13.053 6.428 2.292 1.00 0.00 O ATOM 763 CB TYR A 75 -14.280 7.404 -0.328 1.00 0.00 C ATOM 764 CG TYR A 75 -15.603 7.580 -1.040 1.00 0.00 C ATOM 765 CD1 TYR A 75 -15.666 8.125 -2.315 1.00 0.00 C ATOM 766 CD2 TYR A 75 -16.793 7.197 -0.432 1.00 0.00 C ATOM 767 CE1 TYR A 75 -16.876 8.281 -2.965 1.00 0.00 C ATOM 768 CE2 TYR A 75 -18.005 7.352 -1.074 1.00 0.00 C ATOM 769 CZ TYR A 75 -18.043 7.892 -2.339 1.00 0.00 C ATOM 770 OH TYR A 75 -19.252 8.044 -2.984 1.00 0.00 O ATOM 0 H TYR A 75 -13.641 9.882 0.105 1.00 0.00 H new ATOM 0 HA TYR A 75 -15.121 7.854 1.608 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -13.483 7.799 -0.958 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -14.086 6.339 -0.199 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -14.755 8.432 -2.807 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -16.769 6.771 0.560 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -16.908 8.705 -3.958 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -18.920 7.051 -0.585 1.00 0.00 H new ATOM 0 HH TYR A 75 -19.974 7.720 -2.406 1.00 0.00 H new ATOM 780 N VAL A 76 -11.987 8.370 2.007 1.00 0.00 N ATOM 781 CA VAL A 76 -10.796 7.890 2.702 1.00 0.00 C ATOM 782 C VAL A 76 -11.005 7.951 4.205 1.00 0.00 C ATOM 783 O VAL A 76 -11.299 9.008 4.773 1.00 0.00 O ATOM 784 CB VAL A 76 -9.524 8.678 2.321 1.00 0.00 C ATOM 785 CG1 VAL A 76 -8.335 8.218 3.158 1.00 0.00 C ATOM 786 CG2 VAL A 76 -9.219 8.507 0.844 1.00 0.00 C ATOM 0 H VAL A 76 -11.943 9.339 1.693 1.00 0.00 H new ATOM 0 HA VAL A 76 -10.644 6.857 2.388 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.703 9.734 2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.449 8.786 2.874 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.548 8.382 4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.157 7.157 2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.320 9.068 0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.061 7.451 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.057 8.879 0.254 1.00 0.00 H new ATOM 796 N SER A 77 -10.852 6.801 4.836 1.00 0.00 N ATOM 797 CA SER A 77 -11.182 6.646 6.238 1.00 0.00 C ATOM 798 C SER A 77 -10.012 7.043 7.129 1.00 0.00 C ATOM 799 O SER A 77 -10.196 7.740 8.126 1.00 0.00 O ATOM 800 CB SER A 77 -11.593 5.198 6.503 1.00 0.00 C ATOM 801 OG SER A 77 -12.586 4.785 5.577 1.00 0.00 O ATOM 0 H SER A 77 -10.497 5.954 4.393 1.00 0.00 H new ATOM 0 HA SER A 77 -12.013 7.309 6.478 1.00 0.00 H new ATOM 0 HB2 SER A 77 -10.722 4.547 6.426 1.00 0.00 H new ATOM 0 HB3 SER A 77 -11.974 5.102 7.520 1.00 0.00 H new ATOM 0 HG SER A 77 -12.713 3.816 5.644 1.00 0.00 H new ATOM 807 N ALA A 78 -8.808 6.619 6.759 1.00 0.00 N ATOM 808 CA ALA A 78 -7.632 6.879 7.571 1.00 0.00 C ATOM 809 C ALA A 78 -6.360 6.540 6.819 1.00 0.00 C ATOM 810 O ALA A 78 -6.293 5.532 6.116 1.00 0.00 O ATOM 811 CB ALA A 78 -7.692 6.085 8.865 1.00 0.00 C ATOM 0 H ALA A 78 -8.624 6.095 5.903 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.620 7.944 7.805 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.803 6.292 9.461 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.581 6.372 9.427 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.736 5.020 8.637 1.00 0.00 H new ATOM 817 N MET A 79 -5.356 7.387 6.982 1.00 0.00 N ATOM 818 CA MET A 79 -4.059 7.187 6.359 1.00 0.00 C ATOM 819 C MET A 79 -3.033 8.109 6.997 1.00 0.00 C ATOM 820 O MET A 79 -3.333 9.255 7.321 1.00 0.00 O ATOM 821 CB MET A 79 -4.126 7.438 4.847 1.00 0.00 C ATOM 822 CG MET A 79 -4.673 8.809 4.468 1.00 0.00 C ATOM 823 SD MET A 79 -4.593 9.133 2.695 1.00 0.00 S ATOM 824 CE MET A 79 -2.823 9.132 2.423 1.00 0.00 C ATOM 0 H MET A 79 -5.418 8.232 7.550 1.00 0.00 H new ATOM 0 HA MET A 79 -3.761 6.150 6.515 1.00 0.00 H new ATOM 0 HB2 MET A 79 -3.126 7.329 4.427 1.00 0.00 H new ATOM 0 HB3 MET A 79 -4.750 6.670 4.389 1.00 0.00 H new ATOM 0 HG2 MET A 79 -5.709 8.885 4.800 1.00 0.00 H new ATOM 0 HG3 MET A 79 -4.111 9.578 4.998 1.00 0.00 H new ATOM 0 HE1 MET A 79 -2.599 9.639 1.484 1.00 0.00 H new ATOM 0 HE2 MET A 79 -2.329 9.652 3.243 1.00 0.00 H new ATOM 0 HE3 MET A 79 -2.463 8.104 2.376 1.00 0.00 H new ATOM 834 N SER A 80 -1.832 7.600 7.194 1.00 0.00 N ATOM 835 CA SER A 80 -0.747 8.392 7.745 1.00 0.00 C ATOM 836 C SER A 80 0.501 8.225 6.890 1.00 0.00 C ATOM 837 O SER A 80 0.698 7.175 6.283 1.00 0.00 O ATOM 838 CB SER A 80 -0.464 7.972 9.189 1.00 0.00 C ATOM 839 OG SER A 80 -1.631 8.082 9.990 1.00 0.00 O ATOM 0 H SER A 80 -1.581 6.635 6.979 1.00 0.00 H new ATOM 0 HA SER A 80 -1.038 9.442 7.742 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.101 6.944 9.208 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.327 8.597 9.605 1.00 0.00 H new ATOM 0 HG SER A 80 -1.425 7.807 10.908 1.00 0.00 H new ATOM 845 N VAL A 81 1.333 9.255 6.839 1.00 0.00 N ATOM 846 CA VAL A 81 2.535 9.227 6.024 1.00 0.00 C ATOM 847 C VAL A 81 3.762 9.364 6.913 1.00 0.00 C ATOM 848 O VAL A 81 3.970 10.405 7.538 1.00 0.00 O ATOM 849 CB VAL A 81 2.538 10.364 4.975 1.00 0.00 C ATOM 850 CG1 VAL A 81 3.782 10.300 4.095 1.00 0.00 C ATOM 851 CG2 VAL A 81 1.280 10.313 4.127 1.00 0.00 C ATOM 0 H VAL A 81 1.195 10.124 7.356 1.00 0.00 H new ATOM 0 HA VAL A 81 2.557 8.274 5.496 1.00 0.00 H new ATOM 0 HB VAL A 81 2.556 11.313 5.511 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.755 11.112 3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.672 10.398 4.716 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.808 9.344 3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.301 11.121 3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.229 9.355 3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.405 10.426 4.767 1.00 0.00 H new ATOM 861 N ALA A 82 4.571 8.322 6.963 1.00 0.00 N ATOM 862 CA ALA A 82 5.749 8.322 7.802 1.00 0.00 C ATOM 863 C ALA A 82 6.955 7.856 7.003 1.00 0.00 C ATOM 864 O ALA A 82 7.082 6.677 6.676 1.00 0.00 O ATOM 865 CB ALA A 82 5.533 7.424 9.010 1.00 0.00 C ATOM 0 H ALA A 82 4.431 7.464 6.430 1.00 0.00 H new ATOM 0 HA ALA A 82 5.933 9.337 8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.427 7.432 9.634 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.684 7.789 9.588 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.333 6.406 8.676 1.00 0.00 H new ATOM 871 N LYS A 83 7.839 8.799 6.730 1.00 0.00 N ATOM 872 CA LYS A 83 9.030 8.552 5.915 1.00 0.00 C ATOM 873 C LYS A 83 8.628 7.876 4.595 1.00 0.00 C ATOM 874 O LYS A 83 9.259 6.913 4.155 1.00 0.00 O ATOM 875 CB LYS A 83 10.026 7.666 6.679 1.00 0.00 C ATOM 876 CG LYS A 83 10.334 8.153 8.089 1.00 0.00 C ATOM 877 CD LYS A 83 11.076 9.475 8.079 1.00 0.00 C ATOM 878 CE LYS A 83 11.379 9.960 9.486 1.00 0.00 C ATOM 879 NZ LYS A 83 12.236 11.174 9.474 1.00 0.00 N ATOM 0 H LYS A 83 7.758 9.759 7.064 1.00 0.00 H new ATOM 0 HA LYS A 83 9.510 9.506 5.696 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.627 6.653 6.735 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.956 7.612 6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.404 8.262 8.647 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.932 7.405 8.609 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.007 9.365 7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.480 10.223 7.557 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.446 10.178 10.005 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.877 9.168 10.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.562 11.378 10.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.058 11.012 8.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.688 11.982 9.115 1.00 0.00 H new ATOM 893 N GLY A 84 7.550 8.374 3.993 1.00 0.00 N ATOM 894 CA GLY A 84 7.025 7.811 2.755 1.00 0.00 C ATOM 895 C GLY A 84 6.143 6.590 2.972 1.00 0.00 C ATOM 896 O GLY A 84 5.299 6.272 2.129 1.00 0.00 O ATOM 0 H GLY A 84 7.021 9.171 4.347 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.451 8.576 2.231 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.858 7.538 2.107 1.00 0.00 H new ATOM 900 N VAL A 85 6.347 5.910 4.091 1.00 0.00 N ATOM 901 CA VAL A 85 5.521 4.767 4.469 1.00 0.00 C ATOM 902 C VAL A 85 4.113 5.240 4.793 1.00 0.00 C ATOM 903 O VAL A 85 3.941 6.249 5.471 1.00 0.00 O ATOM 904 CB VAL A 85 6.117 4.017 5.682 1.00 0.00 C ATOM 905 CG1 VAL A 85 5.297 2.784 6.025 1.00 0.00 C ATOM 906 CG2 VAL A 85 7.566 3.637 5.419 1.00 0.00 C ATOM 0 H VAL A 85 7.084 6.131 4.760 1.00 0.00 H new ATOM 0 HA VAL A 85 5.492 4.074 3.628 1.00 0.00 H new ATOM 0 HB VAL A 85 6.085 4.691 6.538 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.742 2.278 6.882 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.277 3.081 6.268 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.284 2.107 5.171 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.967 3.110 6.285 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.619 2.990 4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.152 4.539 5.240 1.00 0.00 H new ATOM 916 N VAL A 86 3.102 4.518 4.331 1.00 0.00 N ATOM 917 CA VAL A 86 1.731 4.978 4.475 1.00 0.00 C ATOM 918 C VAL A 86 0.844 3.842 4.967 1.00 0.00 C ATOM 919 O VAL A 86 0.680 2.826 4.289 1.00 0.00 O ATOM 920 CB VAL A 86 1.156 5.533 3.151 1.00 0.00 C ATOM 921 CG1 VAL A 86 -0.263 6.040 3.359 1.00 0.00 C ATOM 922 CG2 VAL A 86 2.034 6.644 2.598 1.00 0.00 C ATOM 0 H VAL A 86 3.205 3.620 3.858 1.00 0.00 H new ATOM 0 HA VAL A 86 1.743 5.789 5.203 1.00 0.00 H new ATOM 0 HB VAL A 86 1.137 4.720 2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.653 6.427 2.418 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.895 5.222 3.704 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.260 6.835 4.105 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.607 7.016 1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.091 7.457 3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.035 6.256 2.408 1.00 0.00 H new ATOM 932 N SER A 87 0.313 4.008 6.164 1.00 0.00 N ATOM 933 CA SER A 87 -0.613 3.036 6.721 1.00 0.00 C ATOM 934 C SER A 87 -2.048 3.541 6.626 1.00 0.00 C ATOM 935 O SER A 87 -2.379 4.618 7.131 1.00 0.00 O ATOM 936 CB SER A 87 -0.253 2.740 8.177 1.00 0.00 C ATOM 937 OG SER A 87 1.127 2.430 8.305 1.00 0.00 O ATOM 0 H SER A 87 0.506 4.806 6.770 1.00 0.00 H new ATOM 0 HA SER A 87 -0.534 2.116 6.142 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.495 3.602 8.798 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.853 1.906 8.542 1.00 0.00 H new ATOM 0 HG SER A 87 1.335 2.246 9.245 1.00 0.00 H new ATOM 943 N LEU A 88 -2.883 2.756 5.963 1.00 0.00 N ATOM 944 CA LEU A 88 -4.280 3.107 5.752 1.00 0.00 C ATOM 945 C LEU A 88 -5.162 2.102 6.475 1.00 0.00 C ATOM 946 O LEU A 88 -5.118 0.911 6.182 1.00 0.00 O ATOM 947 CB LEU A 88 -4.632 3.114 4.260 1.00 0.00 C ATOM 948 CG LEU A 88 -3.713 3.951 3.357 1.00 0.00 C ATOM 949 CD1 LEU A 88 -2.504 3.143 2.902 1.00 0.00 C ATOM 950 CD2 LEU A 88 -4.480 4.479 2.156 1.00 0.00 C ATOM 0 H LEU A 88 -2.613 1.860 5.557 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.447 4.109 6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.624 2.085 3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.652 3.483 4.149 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.353 4.798 3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.872 3.761 2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.934 2.819 3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.840 2.270 2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.812 5.069 1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.874 3.642 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.305 5.105 2.497 1.00 0.00 H new ATOM 962 N THR A 89 -5.957 2.575 7.414 1.00 0.00 N ATOM 963 CA THR A 89 -6.723 1.682 8.264 1.00 0.00 C ATOM 964 C THR A 89 -8.230 1.835 8.041 1.00 0.00 C ATOM 965 O THR A 89 -8.730 2.943 7.825 1.00 0.00 O ATOM 966 CB THR A 89 -6.375 1.926 9.748 1.00 0.00 C ATOM 967 OG1 THR A 89 -4.951 1.874 9.926 1.00 0.00 O ATOM 968 CG2 THR A 89 -7.033 0.894 10.655 1.00 0.00 C ATOM 0 H THR A 89 -6.090 3.567 7.608 1.00 0.00 H new ATOM 0 HA THR A 89 -6.453 0.661 7.995 1.00 0.00 H new ATOM 0 HB THR A 89 -6.753 2.911 10.022 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.733 2.031 10.869 1.00 0.00 H new ATOM 0 HG21 THR A 89 -6.765 1.098 11.692 1.00 0.00 H new ATOM 0 HG22 THR A 89 -8.116 0.948 10.542 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.689 -0.103 10.381 1.00 0.00 H new ATOM 976 N GLY A 90 -8.929 0.703 8.123 1.00 0.00 N ATOM 977 CA GLY A 90 -10.376 0.657 7.955 1.00 0.00 C ATOM 978 C GLY A 90 -10.878 1.373 6.720 1.00 0.00 C ATOM 979 O GLY A 90 -11.873 2.091 6.779 1.00 0.00 O ATOM 0 H GLY A 90 -8.505 -0.206 8.308 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.693 -0.385 7.912 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -10.847 1.097 8.834 1.00 0.00 H new ATOM 983 N GLN A 91 -10.210 1.162 5.604 1.00 0.00 N ATOM 984 CA GLN A 91 -10.558 1.848 4.369 1.00 0.00 C ATOM 985 C GLN A 91 -11.645 1.079 3.626 1.00 0.00 C ATOM 986 O GLN A 91 -11.505 -0.117 3.383 1.00 0.00 O ATOM 987 CB GLN A 91 -9.301 1.998 3.506 1.00 0.00 C ATOM 988 CG GLN A 91 -9.482 2.832 2.249 1.00 0.00 C ATOM 989 CD GLN A 91 -10.086 4.193 2.536 1.00 0.00 C ATOM 990 OE1 GLN A 91 -9.382 5.134 2.891 1.00 0.00 O ATOM 991 NE2 GLN A 91 -11.388 4.311 2.349 1.00 0.00 N ATOM 0 H GLN A 91 -9.421 0.520 5.523 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.950 2.839 4.597 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -8.514 2.447 4.112 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -8.955 1.005 3.219 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -8.516 2.963 1.761 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -10.122 2.294 1.549 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -11.936 3.503 2.054 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -11.845 5.210 2.500 1.00 0.00 H new ATOM 1000 N GLU A 92 -12.728 1.771 3.271 1.00 0.00 N ATOM 1001 CA GLU A 92 -13.843 1.153 2.554 1.00 0.00 C ATOM 1002 C GLU A 92 -14.454 0.025 3.388 1.00 0.00 C ATOM 1003 O GLU A 92 -14.602 0.152 4.605 1.00 0.00 O ATOM 1004 CB GLU A 92 -13.374 0.619 1.191 1.00 0.00 C ATOM 1005 CG GLU A 92 -12.895 1.702 0.241 1.00 0.00 C ATOM 1006 CD GLU A 92 -13.999 2.658 -0.153 1.00 0.00 C ATOM 1007 OE1 GLU A 92 -14.537 2.523 -1.274 1.00 0.00 O ATOM 1008 OE2 GLU A 92 -14.344 3.539 0.655 1.00 0.00 O ATOM 0 H GLU A 92 -12.857 2.763 3.469 1.00 0.00 H new ATOM 0 HA GLU A 92 -14.608 1.911 2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.566 -0.096 1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -14.194 0.075 0.723 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.086 2.261 0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.484 1.238 -0.655 1.00 0.00 H new ATOM 1015 N SER A 93 -14.801 -1.072 2.733 1.00 0.00 N ATOM 1016 CA SER A 93 -15.342 -2.245 3.405 1.00 0.00 C ATOM 1017 C SER A 93 -14.305 -2.892 4.323 1.00 0.00 C ATOM 1018 O SER A 93 -14.639 -3.729 5.163 1.00 0.00 O ATOM 1019 CB SER A 93 -15.792 -3.257 2.359 1.00 0.00 C ATOM 1020 OG SER A 93 -16.537 -2.621 1.332 1.00 0.00 O ATOM 0 H SER A 93 -14.716 -1.175 1.722 1.00 0.00 H new ATOM 0 HA SER A 93 -16.186 -1.929 4.018 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.922 -3.754 1.929 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.400 -4.029 2.831 1.00 0.00 H new ATOM 0 HG SER A 93 -17.191 -3.251 0.964 1.00 0.00 H new ATOM 1026 N LEU A 94 -13.053 -2.483 4.166 1.00 0.00 N ATOM 1027 CA LEU A 94 -11.926 -3.126 4.828 1.00 0.00 C ATOM 1028 C LEU A 94 -11.769 -2.624 6.261 1.00 0.00 C ATOM 1029 O LEU A 94 -10.660 -2.374 6.726 1.00 0.00 O ATOM 1030 CB LEU A 94 -10.641 -2.876 4.034 1.00 0.00 C ATOM 1031 CG LEU A 94 -10.712 -3.226 2.543 1.00 0.00 C ATOM 1032 CD1 LEU A 94 -9.408 -2.861 1.854 1.00 0.00 C ATOM 1033 CD2 LEU A 94 -11.029 -4.700 2.340 1.00 0.00 C ATOM 0 H LEU A 94 -12.790 -1.694 3.575 1.00 0.00 H new ATOM 0 HA LEU A 94 -12.119 -4.198 4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.373 -1.824 4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.835 -3.453 4.488 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.519 -2.646 2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.472 -3.115 0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.227 -1.791 1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.588 -3.415 2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -11.073 -4.919 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.251 -5.307 2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.991 -4.932 2.798 1.00 0.00 H new ATOM 1045 N ASN A 95 -12.888 -2.424 6.936 1.00 0.00 N ATOM 1046 CA ASN A 95 -12.882 -2.024 8.340 1.00 0.00 C ATOM 1047 C ASN A 95 -12.074 -3.014 9.183 1.00 0.00 C ATOM 1048 O ASN A 95 -12.202 -4.232 9.029 1.00 0.00 O ATOM 1049 CB ASN A 95 -14.310 -1.931 8.878 1.00 0.00 C ATOM 1050 CG ASN A 95 -14.350 -1.426 10.308 1.00 0.00 C ATOM 1051 OD1 ASN A 95 -13.509 -0.627 10.722 1.00 0.00 O ATOM 1052 ND2 ASN A 95 -15.321 -1.895 11.073 1.00 0.00 N ATOM 0 H ASN A 95 -13.820 -2.532 6.535 1.00 0.00 H new ATOM 0 HA ASN A 95 -12.413 -1.042 8.408 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -14.894 -1.265 8.242 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.780 -2.913 8.828 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -15.394 -1.596 12.046 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -15.998 -2.556 10.691 1.00 0.00 H new ATOM 1059 N GLY A 96 -11.249 -2.481 10.074 1.00 0.00 N ATOM 1060 CA GLY A 96 -10.374 -3.313 10.880 1.00 0.00 C ATOM 1061 C GLY A 96 -9.091 -3.685 10.159 1.00 0.00 C ATOM 1062 O GLY A 96 -8.129 -4.141 10.780 1.00 0.00 O ATOM 0 H GLY A 96 -11.169 -1.480 10.255 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.128 -2.787 11.803 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.904 -4.223 11.163 1.00 0.00 H new ATOM 1066 N LEU A 97 -9.078 -3.499 8.850 1.00 0.00 N ATOM 1067 CA LEU A 97 -7.932 -3.845 8.033 1.00 0.00 C ATOM 1068 C LEU A 97 -7.006 -2.643 7.907 1.00 0.00 C ATOM 1069 O LEU A 97 -7.463 -1.516 7.732 1.00 0.00 O ATOM 1070 CB LEU A 97 -8.429 -4.317 6.658 1.00 0.00 C ATOM 1071 CG LEU A 97 -7.369 -4.779 5.649 1.00 0.00 C ATOM 1072 CD1 LEU A 97 -7.998 -5.732 4.646 1.00 0.00 C ATOM 1073 CD2 LEU A 97 -6.766 -3.595 4.912 1.00 0.00 C ATOM 0 H LEU A 97 -9.860 -3.105 8.327 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.365 -4.652 8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.127 -5.140 6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -8.994 -3.502 6.205 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.575 -5.287 6.196 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.243 -6.058 3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.400 -6.599 5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.803 -5.223 4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.018 -3.950 4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.551 -3.063 4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.296 -2.921 5.629 1.00 0.00 H new ATOM 1085 N SER A 98 -5.713 -2.881 8.019 1.00 0.00 N ATOM 1086 CA SER A 98 -4.735 -1.820 7.872 1.00 0.00 C ATOM 1087 C SER A 98 -3.737 -2.176 6.777 1.00 0.00 C ATOM 1088 O SER A 98 -3.069 -3.212 6.842 1.00 0.00 O ATOM 1089 CB SER A 98 -4.010 -1.577 9.196 1.00 0.00 C ATOM 1090 OG SER A 98 -3.295 -0.351 9.176 1.00 0.00 O ATOM 0 H SER A 98 -5.315 -3.800 8.211 1.00 0.00 H new ATOM 0 HA SER A 98 -5.252 -0.903 7.589 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.733 -1.565 10.012 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.321 -2.399 9.392 1.00 0.00 H new ATOM 0 HG SER A 98 -3.889 0.379 9.451 1.00 0.00 H new ATOM 1096 N VAL A 99 -3.657 -1.328 5.769 1.00 0.00 N ATOM 1097 CA VAL A 99 -2.708 -1.511 4.688 1.00 0.00 C ATOM 1098 C VAL A 99 -1.424 -0.777 5.029 1.00 0.00 C ATOM 1099 O VAL A 99 -1.464 0.390 5.418 1.00 0.00 O ATOM 1100 CB VAL A 99 -3.252 -0.973 3.346 1.00 0.00 C ATOM 1101 CG1 VAL A 99 -2.268 -1.227 2.215 1.00 0.00 C ATOM 1102 CG2 VAL A 99 -4.601 -1.591 3.021 1.00 0.00 C ATOM 0 H VAL A 99 -4.244 -0.499 5.677 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.529 -2.580 4.575 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.382 0.104 3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.677 -0.838 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.325 -0.727 2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.096 -2.299 2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -4.963 -1.196 2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.497 -2.674 2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.312 -1.347 3.810 1.00 0.00 H new ATOM 1112 N VAL A 100 -0.291 -1.446 4.898 1.00 0.00 N ATOM 1113 CA VAL A 100 0.983 -0.835 5.225 1.00 0.00 C ATOM 1114 C VAL A 100 1.848 -0.763 3.977 1.00 0.00 C ATOM 1115 O VAL A 100 2.384 -1.774 3.523 1.00 0.00 O ATOM 1116 CB VAL A 100 1.732 -1.618 6.328 1.00 0.00 C ATOM 1117 CG1 VAL A 100 3.024 -0.909 6.709 1.00 0.00 C ATOM 1118 CG2 VAL A 100 0.840 -1.802 7.547 1.00 0.00 C ATOM 0 H VAL A 100 -0.229 -2.409 4.568 1.00 0.00 H new ATOM 0 HA VAL A 100 0.784 0.167 5.604 1.00 0.00 H new ATOM 0 HB VAL A 100 1.989 -2.603 5.937 1.00 0.00 H new ATOM 0 HG11 VAL A 100 3.535 -1.477 7.486 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.668 -0.831 5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.795 0.090 7.080 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.382 -2.355 8.314 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.552 -0.826 7.938 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.054 -2.357 7.263 1.00 0.00 H new ATOM 1128 N MET A 101 1.946 0.422 3.407 1.00 0.00 N ATOM 1129 CA MET A 101 2.724 0.617 2.195 1.00 0.00 C ATOM 1130 C MET A 101 4.121 1.115 2.539 1.00 0.00 C ATOM 1131 O MET A 101 4.288 2.246 2.993 1.00 0.00 O ATOM 1132 CB MET A 101 2.023 1.610 1.266 1.00 0.00 C ATOM 1133 CG MET A 101 2.626 1.679 -0.128 1.00 0.00 C ATOM 1134 SD MET A 101 1.734 2.822 -1.196 1.00 0.00 S ATOM 1135 CE MET A 101 2.311 2.322 -2.813 1.00 0.00 C ATOM 0 H MET A 101 1.497 1.266 3.762 1.00 0.00 H new ATOM 0 HA MET A 101 2.810 -0.340 1.681 1.00 0.00 H new ATOM 0 HB2 MET A 101 0.971 1.335 1.183 1.00 0.00 H new ATOM 0 HB3 MET A 101 2.059 2.602 1.717 1.00 0.00 H new ATOM 0 HG2 MET A 101 3.669 1.989 -0.057 1.00 0.00 H new ATOM 0 HG3 MET A 101 2.619 0.685 -0.575 1.00 0.00 H new ATOM 0 HE1 MET A 101 2.775 3.172 -3.313 1.00 0.00 H new ATOM 0 HE2 MET A 101 3.042 1.520 -2.707 1.00 0.00 H new ATOM 0 HE3 MET A 101 1.468 1.968 -3.407 1.00 0.00 H new ATOM 1145 N THR A 102 5.112 0.260 2.329 1.00 0.00 N ATOM 1146 CA THR A 102 6.500 0.601 2.591 1.00 0.00 C ATOM 1147 C THR A 102 7.257 0.795 1.274 1.00 0.00 C ATOM 1148 O THR A 102 7.718 -0.165 0.661 1.00 0.00 O ATOM 1149 CB THR A 102 7.189 -0.495 3.429 1.00 0.00 C ATOM 1150 OG1 THR A 102 6.321 -0.908 4.497 1.00 0.00 O ATOM 1151 CG2 THR A 102 8.502 0.009 4.010 1.00 0.00 C ATOM 0 H THR A 102 4.976 -0.686 1.973 1.00 0.00 H new ATOM 0 HA THR A 102 6.516 1.533 3.156 1.00 0.00 H new ATOM 0 HB THR A 102 7.400 -1.342 2.776 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.762 -1.605 5.026 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.968 -0.783 4.597 1.00 0.00 H new ATOM 0 HG22 THR A 102 9.170 0.301 3.200 1.00 0.00 H new ATOM 0 HG23 THR A 102 8.310 0.870 4.650 1.00 0.00 H new ATOM 1159 N PRO A 103 7.344 2.044 0.805 1.00 0.00 N ATOM 1160 CA PRO A 103 8.033 2.392 -0.442 1.00 0.00 C ATOM 1161 C PRO A 103 9.553 2.433 -0.307 1.00 0.00 C ATOM 1162 O PRO A 103 10.094 2.508 0.802 1.00 0.00 O ATOM 1163 CB PRO A 103 7.503 3.792 -0.737 1.00 0.00 C ATOM 1164 CG PRO A 103 7.217 4.365 0.607 1.00 0.00 C ATOM 1165 CD PRO A 103 6.746 3.219 1.451 1.00 0.00 C ATOM 0 HA PRO A 103 7.846 1.653 -1.221 1.00 0.00 H new ATOM 0 HB2 PRO A 103 8.237 4.390 -1.277 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.605 3.756 -1.354 1.00 0.00 H new ATOM 0 HG2 PRO A 103 8.109 4.824 1.034 1.00 0.00 H new ATOM 0 HG3 PRO A 103 6.456 5.143 0.546 1.00 0.00 H new ATOM 0 HD2 PRO A 103 7.077 3.320 2.485 1.00 0.00 H new ATOM 0 HD3 PRO A 103 5.658 3.156 1.470 1.00 0.00 H new ATOM 1173 N GLY A 104 10.231 2.380 -1.444 1.00 0.00 N ATOM 1174 CA GLY A 104 11.668 2.523 -1.468 1.00 0.00 C ATOM 1175 C GLY A 104 12.361 1.251 -1.891 1.00 0.00 C ATOM 1176 O GLY A 104 11.713 0.280 -2.275 1.00 0.00 O ATOM 0 H GLY A 104 9.803 2.239 -2.359 1.00 0.00 H new ATOM 0 HA2 GLY A 104 11.940 3.327 -2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 104 12.019 2.814 -0.478 1.00 0.00 H new ATOM 1291 N GLY A 113 10.625 -0.912 -4.587 1.00 0.00 N ATOM 1292 CA GLY A 113 9.606 -0.033 -5.119 1.00 0.00 C ATOM 1293 C GLY A 113 8.555 0.312 -4.084 1.00 0.00 C ATOM 1294 O GLY A 113 8.650 1.343 -3.417 1.00 0.00 O ATOM 0 HA2 GLY A 113 10.072 0.883 -5.482 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.128 -0.509 -5.976 1.00 0.00 H new ATOM 1298 N TRP A 114 7.555 -0.548 -3.948 1.00 0.00 N ATOM 1299 CA TRP A 114 6.506 -0.357 -2.957 1.00 0.00 C ATOM 1300 C TRP A 114 6.101 -1.696 -2.363 1.00 0.00 C ATOM 1301 O TRP A 114 5.680 -2.598 -3.087 1.00 0.00 O ATOM 1302 CB TRP A 114 5.265 0.292 -3.585 1.00 0.00 C ATOM 1303 CG TRP A 114 5.519 1.625 -4.224 1.00 0.00 C ATOM 1304 CD1 TRP A 114 5.537 2.842 -3.611 1.00 0.00 C ATOM 1305 CD2 TRP A 114 5.772 1.867 -5.610 1.00 0.00 C ATOM 1306 NE1 TRP A 114 5.796 3.829 -4.531 1.00 0.00 N ATOM 1307 CE2 TRP A 114 5.945 3.254 -5.766 1.00 0.00 C ATOM 1308 CE3 TRP A 114 5.876 1.043 -6.734 1.00 0.00 C ATOM 1309 CZ2 TRP A 114 6.213 3.835 -7.000 1.00 0.00 C ATOM 1310 CZ3 TRP A 114 6.142 1.621 -7.957 1.00 0.00 C ATOM 1311 CH2 TRP A 114 6.308 3.004 -8.083 1.00 0.00 C ATOM 0 H TRP A 114 7.448 -1.389 -4.515 1.00 0.00 H new ATOM 0 HA TRP A 114 6.900 0.298 -2.180 1.00 0.00 H new ATOM 0 HB2 TRP A 114 4.856 -0.385 -4.335 1.00 0.00 H new ATOM 0 HB3 TRP A 114 4.503 0.411 -2.815 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.372 3.007 -2.556 1.00 0.00 H new ATOM 0 HE1 TRP A 114 5.866 4.826 -4.328 1.00 0.00 H new ATOM 0 HE3 TRP A 114 5.750 -0.026 -6.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 6.341 4.903 -7.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 6.224 0.995 -8.833 1.00 0.00 H new ATOM 0 HH2 TRP A 114 6.516 3.425 -9.056 1.00 0.00 H new ATOM 1322 N ALA A 115 6.216 -1.824 -1.053 1.00 0.00 N ATOM 1323 CA ALA A 115 5.738 -3.012 -0.373 1.00 0.00 C ATOM 1324 C ALA A 115 4.357 -2.750 0.194 1.00 0.00 C ATOM 1325 O ALA A 115 4.190 -1.930 1.093 1.00 0.00 O ATOM 1326 CB ALA A 115 6.701 -3.434 0.726 1.00 0.00 C ATOM 0 H ALA A 115 6.635 -1.123 -0.442 1.00 0.00 H new ATOM 0 HA ALA A 115 5.679 -3.830 -1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 115 6.320 -4.327 1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 115 7.677 -3.649 0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.797 -2.629 1.454 1.00 0.00 H new ATOM 1332 N ARG A 116 3.371 -3.428 -0.352 1.00 0.00 N ATOM 1333 CA ARG A 116 1.996 -3.236 0.065 1.00 0.00 C ATOM 1334 C ARG A 116 1.503 -4.464 0.806 1.00 0.00 C ATOM 1335 O ARG A 116 1.695 -5.586 0.351 1.00 0.00 O ATOM 1336 CB ARG A 116 1.115 -2.956 -1.148 1.00 0.00 C ATOM 1337 CG ARG A 116 1.429 -1.645 -1.848 1.00 0.00 C ATOM 1338 CD ARG A 116 0.692 -1.531 -3.173 1.00 0.00 C ATOM 1339 NE ARG A 116 1.199 -2.476 -4.168 1.00 0.00 N ATOM 1340 CZ ARG A 116 0.800 -2.506 -5.440 1.00 0.00 C ATOM 1341 NH1 ARG A 116 -0.161 -1.693 -5.861 1.00 0.00 N ATOM 1342 NH2 ARG A 116 1.357 -3.357 -6.290 1.00 0.00 N ATOM 0 H ARG A 116 3.496 -4.121 -1.090 1.00 0.00 H new ATOM 0 HA ARG A 116 1.944 -2.379 0.737 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.226 -3.773 -1.861 1.00 0.00 H new ATOM 0 HB3 ARG A 116 0.072 -2.947 -0.833 1.00 0.00 H new ATOM 0 HG2 ARG A 116 1.151 -0.811 -1.203 1.00 0.00 H new ATOM 0 HG3 ARG A 116 2.503 -1.571 -2.020 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -0.371 -1.710 -3.012 1.00 0.00 H new ATOM 0 HD3 ARG A 116 0.790 -0.515 -3.556 1.00 0.00 H new ATOM 0 HE ARG A 116 1.901 -3.154 -3.870 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -0.599 -1.041 -5.210 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -0.462 -1.721 -6.835 1.00 0.00 H new ATOM 0 HH21 ARG A 116 2.091 -3.989 -5.971 1.00 0.00 H new ATOM 0 HH22 ARG A 116 1.051 -3.380 -7.263 1.00 0.00 H new ATOM 1356 N ASN A 117 0.886 -4.257 1.954 1.00 0.00 N ATOM 1357 CA ASN A 117 0.421 -5.371 2.761 1.00 0.00 C ATOM 1358 C ASN A 117 -0.914 -5.045 3.405 1.00 0.00 C ATOM 1359 O ASN A 117 -1.092 -3.961 3.956 1.00 0.00 O ATOM 1360 CB ASN A 117 1.444 -5.710 3.846 1.00 0.00 C ATOM 1361 CG ASN A 117 1.141 -7.030 4.527 1.00 0.00 C ATOM 1362 OD1 ASN A 117 0.423 -7.081 5.522 1.00 0.00 O ATOM 1363 ND2 ASN A 117 1.688 -8.109 3.990 1.00 0.00 N ATOM 0 H ASN A 117 0.696 -3.335 2.347 1.00 0.00 H new ATOM 0 HA ASN A 117 0.297 -6.233 2.106 1.00 0.00 H new ATOM 0 HB2 ASN A 117 2.440 -5.751 3.404 1.00 0.00 H new ATOM 0 HB3 ASN A 117 1.459 -4.914 4.591 1.00 0.00 H new ATOM 0 HD21 ASN A 117 1.519 -9.026 4.403 1.00 0.00 H new ATOM 0 HD22 ASN A 117 2.279 -8.023 3.163 1.00 0.00 H new ATOM 1370 N CYS A 118 -1.841 -5.984 3.333 1.00 0.00 N ATOM 1371 CA CYS A 118 -3.144 -5.815 3.955 1.00 0.00 C ATOM 1372 C CYS A 118 -3.203 -6.613 5.247 1.00 0.00 C ATOM 1373 O CYS A 118 -3.107 -7.839 5.226 1.00 0.00 O ATOM 1374 CB CYS A 118 -4.247 -6.286 3.005 1.00 0.00 C ATOM 1375 SG CYS A 118 -4.297 -5.392 1.420 1.00 0.00 S ATOM 0 H CYS A 118 -1.716 -6.873 2.849 1.00 0.00 H new ATOM 0 HA CYS A 118 -3.296 -4.759 4.176 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -4.110 -7.349 2.806 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -5.211 -6.176 3.502 1.00 0.00 H new ATOM 1380 N ASN A 119 -3.349 -5.924 6.369 1.00 0.00 N ATOM 1381 CA ASN A 119 -3.396 -6.591 7.660 1.00 0.00 C ATOM 1382 C ASN A 119 -4.808 -6.574 8.216 1.00 0.00 C ATOM 1383 O ASN A 119 -5.294 -5.541 8.673 1.00 0.00 O ATOM 1384 CB ASN A 119 -2.441 -5.921 8.656 1.00 0.00 C ATOM 1385 CG ASN A 119 -0.994 -5.967 8.202 1.00 0.00 C ATOM 1386 OD1 ASN A 119 -0.266 -6.914 8.500 1.00 0.00 O ATOM 1387 ND2 ASN A 119 -0.564 -4.943 7.481 1.00 0.00 N ATOM 0 H ASN A 119 -3.437 -4.909 6.411 1.00 0.00 H new ATOM 0 HA ASN A 119 -3.082 -7.625 7.514 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -2.740 -4.882 8.797 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -2.529 -6.413 9.625 1.00 0.00 H new ATOM 0 HD21 ASN A 119 0.401 -4.920 7.152 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -1.198 -4.177 7.255 1.00 0.00 H new ATOM 1394 N ILE A 120 -5.471 -7.711 8.143 1.00 0.00 N ATOM 1395 CA ILE A 120 -6.785 -7.876 8.729 1.00 0.00 C ATOM 1396 C ILE A 120 -6.856 -9.220 9.460 1.00 0.00 C ATOM 1397 O ILE A 120 -6.997 -10.277 8.845 1.00 0.00 O ATOM 1398 CB ILE A 120 -7.888 -7.744 7.654 1.00 0.00 C ATOM 1399 CG1 ILE A 120 -9.275 -7.982 8.249 1.00 0.00 C ATOM 1400 CG2 ILE A 120 -7.631 -8.685 6.487 1.00 0.00 C ATOM 1401 CD1 ILE A 120 -9.691 -6.957 9.282 1.00 0.00 C ATOM 0 H ILE A 120 -5.114 -8.545 7.676 1.00 0.00 H new ATOM 0 HA ILE A 120 -6.957 -7.083 9.457 1.00 0.00 H new ATOM 0 HB ILE A 120 -7.858 -6.722 7.276 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -10.008 -7.987 7.442 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -9.297 -8.971 8.706 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.422 -8.571 5.746 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -6.670 -8.446 6.031 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.616 -9.714 6.846 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -10.687 -7.199 9.654 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -8.982 -6.967 10.110 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -9.704 -5.967 8.827 1.00 0.00 H new ATOM 1413 N GLN A 121 -6.748 -9.178 10.778 1.00 0.00 N ATOM 1414 CA GLN A 121 -6.539 -10.391 11.560 1.00 0.00 C ATOM 1415 C GLN A 121 -7.801 -11.248 11.650 1.00 0.00 C ATOM 1416 O GLN A 121 -7.726 -12.476 11.598 1.00 0.00 O ATOM 1417 CB GLN A 121 -6.034 -10.057 12.970 1.00 0.00 C ATOM 1418 CG GLN A 121 -4.636 -9.448 13.013 1.00 0.00 C ATOM 1419 CD GLN A 121 -4.580 -8.031 12.476 1.00 0.00 C ATOM 1420 OE1 GLN A 121 -5.556 -7.282 12.553 1.00 0.00 O ATOM 1421 NE2 GLN A 121 -3.437 -7.650 11.932 1.00 0.00 N ATOM 0 H GLN A 121 -6.801 -8.322 11.330 1.00 0.00 H new ATOM 0 HA GLN A 121 -5.779 -10.971 11.036 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -6.733 -9.364 13.438 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -6.039 -10.968 13.569 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -4.277 -9.453 14.042 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -3.957 -10.075 12.435 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -2.652 -8.300 11.887 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -3.340 -6.706 11.557 1.00 0.00 H new ATOM 1430 N SER A 122 -8.953 -10.607 11.779 1.00 0.00 N ATOM 1431 CA SER A 122 -10.194 -11.325 12.058 1.00 0.00 C ATOM 1432 C SER A 122 -11.055 -11.545 10.814 1.00 0.00 C ATOM 1433 O SER A 122 -12.097 -12.196 10.891 1.00 0.00 O ATOM 1434 CB SER A 122 -11.003 -10.549 13.101 1.00 0.00 C ATOM 1435 OG SER A 122 -11.216 -9.207 12.677 1.00 0.00 O ATOM 0 H SER A 122 -9.058 -9.596 11.696 1.00 0.00 H new ATOM 0 HA SER A 122 -9.915 -12.310 12.431 1.00 0.00 H new ATOM 0 HB2 SER A 122 -11.962 -11.041 13.264 1.00 0.00 H new ATOM 0 HB3 SER A 122 -10.476 -10.555 14.055 1.00 0.00 H new ATOM 0 HG SER A 122 -11.677 -9.206 11.812 1.00 0.00 H new ATOM 1441 N ASP A 123 -10.631 -11.027 9.672 1.00 0.00 N ATOM 1442 CA ASP A 123 -11.491 -11.038 8.490 1.00 0.00 C ATOM 1443 C ASP A 123 -10.706 -11.358 7.224 1.00 0.00 C ATOM 1444 O ASP A 123 -10.317 -10.459 6.479 1.00 0.00 O ATOM 1445 CB ASP A 123 -12.206 -9.691 8.327 1.00 0.00 C ATOM 1446 CG ASP A 123 -13.214 -9.411 9.423 1.00 0.00 C ATOM 1447 OD1 ASP A 123 -12.810 -8.938 10.509 1.00 0.00 O ATOM 1448 OD2 ASP A 123 -14.421 -9.647 9.200 1.00 0.00 O ATOM 0 H ASP A 123 -9.715 -10.600 9.535 1.00 0.00 H new ATOM 0 HA ASP A 123 -12.232 -11.823 8.639 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -11.464 -8.893 8.313 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -12.713 -9.671 7.363 1.00 0.00 H new ATOM 1453 N SER A 124 -10.499 -12.643 6.970 1.00 0.00 N ATOM 1454 CA SER A 124 -9.768 -13.087 5.787 1.00 0.00 C ATOM 1455 C SER A 124 -10.455 -12.640 4.491 1.00 0.00 C ATOM 1456 O SER A 124 -9.794 -12.426 3.474 1.00 0.00 O ATOM 1457 CB SER A 124 -9.628 -14.610 5.813 1.00 0.00 C ATOM 1458 OG SER A 124 -9.001 -15.035 7.011 1.00 0.00 O ATOM 0 H SER A 124 -10.828 -13.400 7.569 1.00 0.00 H new ATOM 0 HA SER A 124 -8.780 -12.626 5.807 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.612 -15.072 5.728 1.00 0.00 H new ATOM 0 HB3 SER A 124 -9.045 -14.941 4.954 1.00 0.00 H new ATOM 0 HG SER A 124 -8.922 -16.012 7.010 1.00 0.00 H new ATOM 1464 N ALA A 125 -11.776 -12.480 4.538 1.00 0.00 N ATOM 1465 CA ALA A 125 -12.545 -12.077 3.365 1.00 0.00 C ATOM 1466 C ALA A 125 -12.123 -10.695 2.879 1.00 0.00 C ATOM 1467 O ALA A 125 -12.065 -10.437 1.675 1.00 0.00 O ATOM 1468 CB ALA A 125 -14.029 -12.087 3.682 1.00 0.00 C ATOM 0 H ALA A 125 -12.336 -12.624 5.378 1.00 0.00 H new ATOM 0 HA ALA A 125 -12.345 -12.793 2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -14.592 -11.785 2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -14.331 -13.092 3.978 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -14.232 -11.392 4.497 1.00 0.00 H new ATOM 1474 N LEU A 126 -11.822 -9.812 3.821 1.00 0.00 N ATOM 1475 CA LEU A 126 -11.392 -8.467 3.487 1.00 0.00 C ATOM 1476 C LEU A 126 -10.001 -8.498 2.880 1.00 0.00 C ATOM 1477 O LEU A 126 -9.692 -7.726 1.970 1.00 0.00 O ATOM 1478 CB LEU A 126 -11.409 -7.572 4.727 1.00 0.00 C ATOM 1479 CG LEU A 126 -12.782 -7.399 5.384 1.00 0.00 C ATOM 1480 CD1 LEU A 126 -12.684 -6.482 6.593 1.00 0.00 C ATOM 1481 CD2 LEU A 126 -13.793 -6.854 4.384 1.00 0.00 C ATOM 0 H LEU A 126 -11.869 -10.005 4.821 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.087 -8.054 2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -10.720 -7.985 5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.029 -6.588 4.451 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.125 -8.378 5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -13.669 -6.371 7.046 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.996 -6.912 7.321 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -12.317 -5.505 6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -14.761 -6.739 4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -13.455 -5.886 4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.888 -7.547 3.548 1.00 0.00 H new ATOM 1493 N GLN A 127 -9.169 -9.406 3.376 1.00 0.00 N ATOM 1494 CA GLN A 127 -7.826 -9.570 2.845 1.00 0.00 C ATOM 1495 C GLN A 127 -7.870 -9.991 1.389 1.00 0.00 C ATOM 1496 O GLN A 127 -7.124 -9.467 0.584 1.00 0.00 O ATOM 1497 CB GLN A 127 -7.024 -10.592 3.651 1.00 0.00 C ATOM 1498 CG GLN A 127 -5.736 -11.019 2.958 1.00 0.00 C ATOM 1499 CD GLN A 127 -4.843 -11.868 3.837 1.00 0.00 C ATOM 1500 OE1 GLN A 127 -5.312 -12.559 4.739 1.00 0.00 O ATOM 1501 NE2 GLN A 127 -3.551 -11.847 3.559 1.00 0.00 N ATOM 0 H GLN A 127 -9.402 -10.037 4.143 1.00 0.00 H new ATOM 0 HA GLN A 127 -7.329 -8.603 2.924 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -6.782 -10.169 4.626 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -7.643 -11.471 3.830 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -5.984 -11.577 2.055 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -5.188 -10.131 2.643 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -3.202 -11.260 2.802 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -2.903 -12.418 4.102 1.00 0.00 H new ATOM 1510 N GLN A 128 -8.756 -10.921 1.059 1.00 0.00 N ATOM 1511 CA GLN A 128 -8.844 -11.450 -0.299 1.00 0.00 C ATOM 1512 C GLN A 128 -8.984 -10.309 -1.307 1.00 0.00 C ATOM 1513 O GLN A 128 -8.225 -10.220 -2.273 1.00 0.00 O ATOM 1514 CB GLN A 128 -10.035 -12.415 -0.393 1.00 0.00 C ATOM 1515 CG GLN A 128 -10.008 -13.367 -1.589 1.00 0.00 C ATOM 1516 CD GLN A 128 -10.441 -12.730 -2.899 1.00 0.00 C ATOM 1517 OE1 GLN A 128 -11.629 -12.699 -3.223 1.00 0.00 O ATOM 1518 NE2 GLN A 128 -9.486 -12.253 -3.679 1.00 0.00 N ATOM 0 H GLN A 128 -9.426 -11.326 1.713 1.00 0.00 H new ATOM 0 HA GLN A 128 -7.930 -11.994 -0.536 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -10.076 -13.007 0.521 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -10.954 -11.830 -0.435 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -8.998 -13.759 -1.705 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -10.658 -14.217 -1.378 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -8.512 -12.296 -3.378 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -9.723 -11.842 -4.582 1.00 0.00 H new ATOM 1527 N ALA A 129 -9.926 -9.414 -1.050 1.00 0.00 N ATOM 1528 CA ALA A 129 -10.174 -8.295 -1.943 1.00 0.00 C ATOM 1529 C ALA A 129 -9.046 -7.267 -1.873 1.00 0.00 C ATOM 1530 O ALA A 129 -8.628 -6.721 -2.896 1.00 0.00 O ATOM 1531 CB ALA A 129 -11.507 -7.648 -1.610 1.00 0.00 C ATOM 0 H ALA A 129 -10.531 -9.442 -0.229 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.210 -8.676 -2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -11.684 -6.810 -2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -12.306 -8.381 -1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -11.490 -7.288 -0.581 1.00 0.00 H new ATOM 1537 N CYS A 130 -8.555 -7.014 -0.668 1.00 0.00 N ATOM 1538 CA CYS A 130 -7.500 -6.027 -0.459 1.00 0.00 C ATOM 1539 C CYS A 130 -6.194 -6.493 -1.085 1.00 0.00 C ATOM 1540 O CYS A 130 -5.547 -5.750 -1.815 1.00 0.00 O ATOM 1541 CB CYS A 130 -7.302 -5.777 1.038 1.00 0.00 C ATOM 1542 SG CYS A 130 -6.104 -4.460 1.433 1.00 0.00 S ATOM 0 H CYS A 130 -8.870 -7.479 0.183 1.00 0.00 H new ATOM 0 HA CYS A 130 -7.801 -5.096 -0.940 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -8.264 -5.520 1.481 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -6.972 -6.704 1.508 1.00 0.00 H new ATOM 1547 N GLU A 131 -5.843 -7.741 -0.816 1.00 0.00 N ATOM 1548 CA GLU A 131 -4.607 -8.349 -1.292 1.00 0.00 C ATOM 1549 C GLU A 131 -4.552 -8.347 -2.814 1.00 0.00 C ATOM 1550 O GLU A 131 -3.481 -8.407 -3.406 1.00 0.00 O ATOM 1551 CB GLU A 131 -4.515 -9.779 -0.759 1.00 0.00 C ATOM 1552 CG GLU A 131 -3.206 -10.482 -1.063 1.00 0.00 C ATOM 1553 CD GLU A 131 -3.263 -11.952 -0.711 1.00 0.00 C ATOM 1554 OE1 GLU A 131 -3.041 -12.295 0.470 1.00 0.00 O ATOM 1555 OE2 GLU A 131 -3.544 -12.770 -1.611 1.00 0.00 O ATOM 0 H GLU A 131 -6.416 -8.370 -0.253 1.00 0.00 H new ATOM 0 HA GLU A 131 -3.761 -7.767 -0.927 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -4.660 -9.760 0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -5.333 -10.363 -1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -2.971 -10.371 -2.121 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -2.400 -10.006 -0.505 1.00 0.00 H new ATOM 1562 N ASP A 132 -5.711 -8.324 -3.442 1.00 0.00 N ATOM 1563 CA ASP A 132 -5.781 -8.286 -4.892 1.00 0.00 C ATOM 1564 C ASP A 132 -5.293 -6.938 -5.430 1.00 0.00 C ATOM 1565 O ASP A 132 -4.440 -6.885 -6.316 1.00 0.00 O ATOM 1566 CB ASP A 132 -7.209 -8.562 -5.359 1.00 0.00 C ATOM 1567 CG ASP A 132 -7.310 -8.699 -6.863 1.00 0.00 C ATOM 1568 OD1 ASP A 132 -7.701 -7.726 -7.529 1.00 0.00 O ATOM 1569 OD2 ASP A 132 -7.017 -9.793 -7.386 1.00 0.00 O ATOM 0 H ASP A 132 -6.617 -8.331 -2.973 1.00 0.00 H new ATOM 0 HA ASP A 132 -5.126 -9.063 -5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -7.571 -9.476 -4.889 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -7.859 -7.753 -5.026 1.00 0.00 H new ATOM 1574 N VAL A 133 -5.831 -5.851 -4.888 1.00 0.00 N ATOM 1575 CA VAL A 133 -5.472 -4.508 -5.344 1.00 0.00 C ATOM 1576 C VAL A 133 -4.186 -4.008 -4.671 1.00 0.00 C ATOM 1577 O VAL A 133 -3.265 -3.521 -5.327 1.00 0.00 O ATOM 1578 CB VAL A 133 -6.618 -3.507 -5.076 1.00 0.00 C ATOM 1579 CG1 VAL A 133 -6.234 -2.108 -5.526 1.00 0.00 C ATOM 1580 CG2 VAL A 133 -7.894 -3.953 -5.772 1.00 0.00 C ATOM 0 H VAL A 133 -6.517 -5.871 -4.133 1.00 0.00 H new ATOM 0 HA VAL A 133 -5.298 -4.573 -6.418 1.00 0.00 H new ATOM 0 HB VAL A 133 -6.798 -3.484 -4.001 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -7.058 -1.423 -5.326 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -5.349 -1.780 -4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -6.019 -2.116 -6.595 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -8.689 -3.235 -5.571 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.721 -4.011 -6.847 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -8.188 -4.934 -5.398 1.00 0.00 H new ATOM 1590 N PHE A 134 -4.138 -4.159 -3.358 1.00 0.00 N ATOM 1591 CA PHE A 134 -3.039 -3.677 -2.522 1.00 0.00 C ATOM 1592 C PHE A 134 -1.965 -4.745 -2.370 1.00 0.00 C ATOM 1593 O PHE A 134 -1.248 -4.786 -1.374 1.00 0.00 O ATOM 1594 CB PHE A 134 -3.548 -3.217 -1.154 1.00 0.00 C ATOM 1595 CG PHE A 134 -4.445 -2.008 -1.230 1.00 0.00 C ATOM 1596 CD1 PHE A 134 -3.905 -0.730 -1.277 1.00 0.00 C ATOM 1597 CD2 PHE A 134 -5.824 -2.149 -1.261 1.00 0.00 C ATOM 1598 CE1 PHE A 134 -4.724 0.381 -1.353 1.00 0.00 C ATOM 1599 CE2 PHE A 134 -6.646 -1.040 -1.336 1.00 0.00 C ATOM 1600 CZ PHE A 134 -6.096 0.225 -1.383 1.00 0.00 C ATOM 0 H PHE A 134 -4.873 -4.628 -2.829 1.00 0.00 H new ATOM 0 HA PHE A 134 -2.593 -2.816 -3.020 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -4.091 -4.035 -0.682 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -2.695 -2.989 -0.514 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -2.833 -0.602 -1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -6.261 -3.136 -1.226 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -4.291 1.370 -1.389 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -7.719 -1.164 -1.358 1.00 0.00 H new ATOM 0 HZ PHE A 134 -6.738 1.092 -1.443 1.00 0.00 H new ATOM 1610 N ARG A 135 -1.922 -5.636 -3.351 1.00 0.00 N ATOM 1611 CA ARG A 135 -1.069 -6.823 -3.338 1.00 0.00 C ATOM 1612 C ARG A 135 0.381 -6.521 -2.960 1.00 0.00 C ATOM 1613 O ARG A 135 0.910 -5.437 -3.224 1.00 0.00 O ATOM 1614 CB ARG A 135 -1.048 -7.441 -4.740 1.00 0.00 C ATOM 1615 CG ARG A 135 -0.317 -6.567 -5.747 1.00 0.00 C ATOM 1616 CD ARG A 135 -0.041 -7.284 -7.056 1.00 0.00 C ATOM 1617 NE ARG A 135 0.885 -6.518 -7.889 1.00 0.00 N ATOM 1618 CZ ARG A 135 0.565 -5.955 -9.050 1.00 0.00 C ATOM 1619 NH1 ARG A 135 -0.658 -6.082 -9.546 1.00 0.00 N ATOM 1620 NH2 ARG A 135 1.480 -5.260 -9.709 1.00 0.00 N ATOM 0 H ARG A 135 -2.489 -5.555 -4.195 1.00 0.00 H new ATOM 0 HA ARG A 135 -1.488 -7.494 -2.589 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -0.569 -8.419 -4.696 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -2.071 -7.603 -5.078 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -0.910 -5.674 -5.945 1.00 0.00 H new ATOM 0 HG3 ARG A 135 0.626 -6.233 -5.315 1.00 0.00 H new ATOM 0 HD2 ARG A 135 0.377 -8.270 -6.853 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -0.976 -7.439 -7.594 1.00 0.00 H new ATOM 0 HE ARG A 135 1.843 -6.408 -7.556 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -1.362 -6.615 -9.036 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -0.895 -5.647 -10.438 1.00 0.00 H new ATOM 0 HH21 ARG A 135 2.420 -5.161 -9.325 1.00 0.00 H new ATOM 0 HH22 ARG A 135 1.245 -4.824 -10.601 1.00 0.00 H new