USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 522 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 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -152:sc= 0.0512 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.29 K(o=-0.29,f=-2.5!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.564 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 170:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= -0.748 (180deg=-1.29!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.19 K(o=-0.19,f=-2.6!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.144 F(o=-0.91,f=-0.14) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -158:sc= -0.0186 (180deg=-0.245) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.958! USER MOD Single : A 52 GLN : amide:sc= -0.404 X(o=-0.4,f=-0.028) USER MOD Single : A 53 SER OG : rot -42:sc= -2 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -1.96! C(o=-2!,f=-2.6!) USER MOD Single : A 61 GLN : amide:sc= -0.0537 X(o=-0.054,f=-0.12) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 3 -1.293 -12.748 1.045 1.00 0.00 N ATOM 20 CA ALA A 3 -1.629 -13.322 -0.245 1.00 0.00 C ATOM 21 C ALA A 3 -0.473 -13.090 -1.220 1.00 0.00 C ATOM 22 O ALA A 3 -0.599 -13.355 -2.415 1.00 0.00 O ATOM 23 CB ALA A 3 -2.944 -12.719 -0.745 1.00 0.00 C ATOM 0 HA ALA A 3 -1.775 -14.399 -0.159 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.197 -13.150 -1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.739 -12.938 -0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.834 -11.639 -0.846 1.00 0.00 H new ATOM 29 N GLY A 4 0.628 -12.595 -0.673 1.00 0.00 N ATOM 30 CA GLY A 4 1.807 -12.324 -1.479 1.00 0.00 C ATOM 31 C GLY A 4 2.305 -10.895 -1.258 1.00 0.00 C ATOM 32 O GLY A 4 1.864 -10.217 -0.332 1.00 0.00 O ATOM 0 H GLY A 4 0.729 -12.375 0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.596 -13.031 -1.225 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.573 -12.473 -2.533 1.00 0.00 H new ATOM 36 N LYS A 5 3.217 -10.479 -2.124 1.00 0.00 N ATOM 37 CA LYS A 5 3.780 -9.142 -2.035 1.00 0.00 C ATOM 38 C LYS A 5 3.078 -8.230 -3.044 1.00 0.00 C ATOM 39 O LYS A 5 2.680 -8.678 -4.118 1.00 0.00 O ATOM 40 CB LYS A 5 5.300 -9.189 -2.202 1.00 0.00 C ATOM 41 CG LYS A 5 5.817 -7.920 -2.881 1.00 0.00 C ATOM 42 CD LYS A 5 7.343 -7.935 -2.985 1.00 0.00 C ATOM 43 CE LYS A 5 7.804 -8.797 -4.161 1.00 0.00 C ATOM 44 NZ LYS A 5 9.143 -8.369 -4.625 1.00 0.00 N ATOM 0 H LYS A 5 3.580 -11.044 -2.891 1.00 0.00 H new ATOM 0 HA LYS A 5 3.604 -8.719 -1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.773 -9.302 -1.227 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.577 -10.061 -2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.382 -7.833 -3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.496 -7.045 -2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.713 -6.917 -3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.770 -8.319 -2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.834 -9.845 -3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.088 -8.720 -4.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.440 -8.965 -5.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.104 -7.376 -4.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.827 -8.465 -3.848 1.00 0.00 H new ATOM 58 N PHE A 6 2.950 -6.968 -2.662 1.00 0.00 N ATOM 59 CA PHE A 6 2.304 -5.989 -3.519 1.00 0.00 C ATOM 60 C PHE A 6 3.138 -4.710 -3.617 1.00 0.00 C ATOM 61 O PHE A 6 4.087 -4.524 -2.857 1.00 0.00 O ATOM 62 CB PHE A 6 0.954 -5.656 -2.879 1.00 0.00 C ATOM 63 CG PHE A 6 -0.011 -6.841 -2.808 1.00 0.00 C ATOM 64 CD1 PHE A 6 0.311 -7.937 -2.070 1.00 0.00 C ATOM 65 CD2 PHE A 6 -1.190 -6.799 -3.484 1.00 0.00 C ATOM 66 CE1 PHE A 6 -0.584 -9.036 -2.004 1.00 0.00 C ATOM 67 CE2 PHE A 6 -2.085 -7.899 -3.419 1.00 0.00 C ATOM 68 CZ PHE A 6 -1.764 -8.995 -2.680 1.00 0.00 C ATOM 0 H PHE A 6 3.283 -6.601 -1.770 1.00 0.00 H new ATOM 0 HA PHE A 6 2.189 -6.393 -4.525 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.125 -5.279 -1.871 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.484 -4.851 -3.445 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.248 -7.971 -1.534 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.446 -5.929 -4.070 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.328 -9.906 -1.417 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -3.021 -7.866 -3.957 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.445 -9.832 -2.630 1.00 0.00 H new ATOM 78 N ILE A 7 2.754 -3.862 -4.559 1.00 0.00 N ATOM 79 CA ILE A 7 3.455 -2.606 -4.767 1.00 0.00 C ATOM 80 C ILE A 7 2.439 -1.503 -5.068 1.00 0.00 C ATOM 81 O ILE A 7 1.850 -1.475 -6.148 1.00 0.00 O ATOM 82 CB ILE A 7 4.530 -2.764 -5.845 1.00 0.00 C ATOM 83 CG1 ILE A 7 4.863 -4.240 -6.075 1.00 0.00 C ATOM 84 CG2 ILE A 7 5.773 -1.941 -5.505 1.00 0.00 C ATOM 85 CD1 ILE A 7 6.015 -4.393 -7.070 1.00 0.00 C ATOM 0 H ILE A 7 1.966 -4.020 -5.187 1.00 0.00 H new ATOM 0 HA ILE A 7 3.986 -2.312 -3.862 1.00 0.00 H new ATOM 0 HB ILE A 7 4.134 -2.374 -6.783 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.131 -4.708 -5.128 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.982 -4.761 -6.450 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.521 -2.071 -6.287 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.503 -0.887 -5.433 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.182 -2.277 -4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.232 -5.451 -7.216 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.734 -3.945 -8.023 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.901 -3.891 -6.681 1.00 0.00 H new ATOM 97 N VAL A 8 2.264 -0.622 -4.095 1.00 0.00 N ATOM 98 CA VAL A 8 1.328 0.480 -4.242 1.00 0.00 C ATOM 99 C VAL A 8 2.095 1.803 -4.195 1.00 0.00 C ATOM 100 O VAL A 8 3.217 1.858 -3.695 1.00 0.00 O ATOM 101 CB VAL A 8 0.234 0.384 -3.176 1.00 0.00 C ATOM 102 CG1 VAL A 8 -0.046 -1.074 -2.807 1.00 0.00 C ATOM 103 CG2 VAL A 8 0.605 1.202 -1.936 1.00 0.00 C ATOM 0 H VAL A 8 2.755 -0.648 -3.201 1.00 0.00 H new ATOM 0 HA VAL A 8 0.826 0.429 -5.208 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.680 0.805 -3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.827 -1.114 -2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.374 -1.617 -3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.863 -1.532 -2.417 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.188 1.117 -1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.537 0.824 -1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.731 2.248 -2.215 1.00 0.00 H new ATOM 113 N ILE A 9 1.458 2.838 -4.724 1.00 0.00 N ATOM 114 CA ILE A 9 2.066 4.157 -4.750 1.00 0.00 C ATOM 115 C ILE A 9 1.016 5.205 -4.373 1.00 0.00 C ATOM 116 O ILE A 9 -0.177 4.999 -4.587 1.00 0.00 O ATOM 117 CB ILE A 9 2.733 4.414 -6.103 1.00 0.00 C ATOM 118 CG1 ILE A 9 4.249 4.554 -5.949 1.00 0.00 C ATOM 119 CG2 ILE A 9 2.113 5.628 -6.797 1.00 0.00 C ATOM 120 CD1 ILE A 9 4.936 3.189 -6.024 1.00 0.00 C ATOM 0 H ILE A 9 0.527 2.789 -5.138 1.00 0.00 H new ATOM 0 HA ILE A 9 2.864 4.223 -4.010 1.00 0.00 H new ATOM 0 HB ILE A 9 2.553 3.550 -6.743 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.639 5.205 -6.731 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.479 5.029 -4.995 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.605 5.789 -7.756 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.050 5.451 -6.959 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.242 6.511 -6.170 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.013 3.317 -5.912 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.561 2.549 -5.225 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.724 2.728 -6.988 1.00 0.00 H new ATOM 132 N PHE A 10 1.500 6.307 -3.817 1.00 0.00 N ATOM 133 CA PHE A 10 0.618 7.387 -3.409 1.00 0.00 C ATOM 134 C PHE A 10 0.857 8.639 -4.255 1.00 0.00 C ATOM 135 O PHE A 10 1.999 8.973 -4.568 1.00 0.00 O ATOM 136 CB PHE A 10 0.945 7.702 -1.947 1.00 0.00 C ATOM 137 CG PHE A 10 0.873 6.490 -1.018 1.00 0.00 C ATOM 138 CD1 PHE A 10 -0.331 5.931 -0.720 1.00 0.00 C ATOM 139 CD2 PHE A 10 2.012 5.969 -0.489 1.00 0.00 C ATOM 140 CE1 PHE A 10 -0.398 4.806 0.143 1.00 0.00 C ATOM 141 CE2 PHE A 10 1.946 4.843 0.374 1.00 0.00 C ATOM 142 CZ PHE A 10 0.742 4.286 0.671 1.00 0.00 C ATOM 0 H PHE A 10 2.490 6.475 -3.640 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.422 7.088 -3.538 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.947 8.129 -1.893 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.254 8.464 -1.587 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.236 6.343 -1.140 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.968 6.412 -0.725 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.354 4.363 0.380 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.851 4.430 0.794 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.691 3.430 1.327 1.00 0.00 H new ATOM 152 N LYS A 11 -0.240 9.299 -4.600 1.00 0.00 N ATOM 153 CA LYS A 11 -0.163 10.508 -5.404 1.00 0.00 C ATOM 154 C LYS A 11 0.882 11.449 -4.802 1.00 0.00 C ATOM 155 O LYS A 11 1.466 11.152 -3.762 1.00 0.00 O ATOM 156 CB LYS A 11 -1.549 11.141 -5.551 1.00 0.00 C ATOM 157 CG LYS A 11 -2.171 11.423 -4.182 1.00 0.00 C ATOM 158 CD LYS A 11 -3.638 11.833 -4.321 1.00 0.00 C ATOM 159 CE LYS A 11 -3.769 13.149 -5.092 1.00 0.00 C ATOM 160 NZ LYS A 11 -5.166 13.350 -5.538 1.00 0.00 N ATOM 0 H LYS A 11 -1.185 9.020 -4.338 1.00 0.00 H new ATOM 0 HA LYS A 11 0.165 10.273 -6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.471 12.069 -6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.198 10.475 -6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.096 10.535 -3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.614 12.215 -3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.191 11.048 -4.837 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.085 11.940 -3.332 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.460 13.981 -4.459 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.103 13.140 -5.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.175 13.927 -6.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.605 12.427 -5.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.702 13.838 -4.792 1.00 0.00 H new ATOM 174 N ASN A 12 1.087 12.567 -5.485 1.00 0.00 N ATOM 175 CA ASN A 12 2.052 13.554 -5.032 1.00 0.00 C ATOM 176 C ASN A 12 1.339 14.605 -4.180 1.00 0.00 C ATOM 177 O ASN A 12 1.703 15.780 -4.201 1.00 0.00 O ATOM 178 CB ASN A 12 2.705 14.270 -6.216 1.00 0.00 C ATOM 179 CG ASN A 12 4.221 14.362 -6.032 1.00 0.00 C ATOM 180 OD1 ASN A 12 4.827 13.623 -5.273 1.00 0.00 O ATOM 181 ND2 ASN A 12 4.798 15.307 -6.768 1.00 0.00 N ATOM 0 H ASN A 12 0.601 12.810 -6.348 1.00 0.00 H new ATOM 0 HA ASN A 12 2.819 13.036 -4.456 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.479 13.736 -7.139 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.286 15.271 -6.317 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.807 15.448 -6.718 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.232 15.891 -7.383 1.00 0.00 H new ATOM 188 N ASP A 13 0.333 14.145 -3.449 1.00 0.00 N ATOM 189 CA ASP A 13 -0.436 15.031 -2.591 1.00 0.00 C ATOM 190 C ASP A 13 -0.424 14.486 -1.161 1.00 0.00 C ATOM 191 O ASP A 13 -0.276 15.246 -0.205 1.00 0.00 O ATOM 192 CB ASP A 13 -1.891 15.118 -3.051 1.00 0.00 C ATOM 193 CG ASP A 13 -2.677 16.304 -2.492 1.00 0.00 C ATOM 194 OD1 ASP A 13 -2.053 17.108 -1.765 1.00 0.00 O ATOM 195 OD2 ASP A 13 -3.885 16.383 -2.803 1.00 0.00 O ATOM 0 H ASP A 13 0.033 13.170 -3.434 1.00 0.00 H new ATOM 0 HA ASP A 13 0.016 16.022 -2.638 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.909 15.170 -4.140 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.401 14.198 -2.767 1.00 0.00 H new ATOM 200 N VAL A 14 -0.579 13.174 -1.060 1.00 0.00 N ATOM 201 CA VAL A 14 -0.588 12.520 0.237 1.00 0.00 C ATOM 202 C VAL A 14 0.443 13.187 1.148 1.00 0.00 C ATOM 203 O VAL A 14 1.424 13.757 0.669 1.00 0.00 O ATOM 204 CB VAL A 14 -0.351 11.017 0.066 1.00 0.00 C ATOM 205 CG1 VAL A 14 0.621 10.743 -1.084 1.00 0.00 C ATOM 206 CG2 VAL A 14 0.149 10.390 1.369 1.00 0.00 C ATOM 0 H VAL A 14 -0.699 12.547 -1.855 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.562 12.631 0.714 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.305 10.553 -0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.772 9.668 -1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.208 11.139 -2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.576 11.226 -0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.310 9.322 1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.087 10.861 1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.593 10.540 2.153 1.00 0.00 H new ATOM 216 N SER A 15 0.187 13.096 2.445 1.00 0.00 N ATOM 217 CA SER A 15 1.082 13.685 3.427 1.00 0.00 C ATOM 218 C SER A 15 2.134 12.662 3.857 1.00 0.00 C ATOM 219 O SER A 15 2.011 11.475 3.555 1.00 0.00 O ATOM 220 CB SER A 15 0.306 14.192 4.645 1.00 0.00 C ATOM 221 OG SER A 15 0.450 13.327 5.768 1.00 0.00 O ATOM 0 H SER A 15 -0.627 12.624 2.838 1.00 0.00 H new ATOM 0 HA SER A 15 1.581 14.538 2.966 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.657 15.190 4.909 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.750 14.282 4.390 1.00 0.00 H new ATOM 0 HG SER A 15 -0.059 13.686 6.525 1.00 0.00 H new ATOM 227 N GLU A 16 3.145 13.157 4.557 1.00 0.00 N ATOM 228 CA GLU A 16 4.217 12.300 5.030 1.00 0.00 C ATOM 229 C GLU A 16 3.699 11.349 6.111 1.00 0.00 C ATOM 230 O GLU A 16 3.824 10.132 5.984 1.00 0.00 O ATOM 231 CB GLU A 16 5.394 13.129 5.549 1.00 0.00 C ATOM 232 CG GLU A 16 6.720 12.611 4.987 1.00 0.00 C ATOM 233 CD GLU A 16 7.220 13.505 3.850 1.00 0.00 C ATOM 234 OE1 GLU A 16 7.684 14.621 4.169 1.00 0.00 O ATOM 235 OE2 GLU A 16 7.127 13.051 2.690 1.00 0.00 O ATOM 0 H GLU A 16 3.243 14.141 4.807 1.00 0.00 H new ATOM 0 HA GLU A 16 4.576 11.705 4.191 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.259 14.174 5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.417 13.092 6.638 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.466 12.575 5.781 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.592 11.592 4.623 1.00 0.00 H new ATOM 242 N ASP A 17 3.128 11.940 7.150 1.00 0.00 N ATOM 243 CA ASP A 17 2.589 11.161 8.252 1.00 0.00 C ATOM 244 C ASP A 17 1.535 10.191 7.717 1.00 0.00 C ATOM 245 O ASP A 17 1.380 9.088 8.240 1.00 0.00 O ATOM 246 CB ASP A 17 1.920 12.064 9.290 1.00 0.00 C ATOM 247 CG ASP A 17 2.829 12.523 10.431 1.00 0.00 C ATOM 248 OD1 ASP A 17 3.500 11.642 11.011 1.00 0.00 O ATOM 249 OD2 ASP A 17 2.833 13.744 10.699 1.00 0.00 O ATOM 0 H ASP A 17 3.027 12.950 7.252 1.00 0.00 H new ATOM 0 HA ASP A 17 3.414 10.624 8.721 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.526 12.945 8.783 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.068 11.534 9.715 1.00 0.00 H new ATOM 254 N LYS A 18 0.836 10.637 6.684 1.00 0.00 N ATOM 255 CA LYS A 18 -0.200 9.822 6.073 1.00 0.00 C ATOM 256 C LYS A 18 0.426 8.542 5.516 1.00 0.00 C ATOM 257 O LYS A 18 -0.096 7.449 5.727 1.00 0.00 O ATOM 258 CB LYS A 18 -0.974 10.632 5.032 1.00 0.00 C ATOM 259 CG LYS A 18 -2.388 10.951 5.524 1.00 0.00 C ATOM 260 CD LYS A 18 -2.454 12.355 6.127 1.00 0.00 C ATOM 261 CE LYS A 18 -3.902 12.765 6.404 1.00 0.00 C ATOM 262 NZ LYS A 18 -3.954 13.805 7.455 1.00 0.00 N ATOM 0 H LYS A 18 0.967 11.553 6.254 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.936 9.519 6.818 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.442 11.559 4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.028 10.073 4.098 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.092 10.874 4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.692 10.216 6.270 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.880 12.384 7.053 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.994 13.070 5.445 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.361 13.141 5.490 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.479 11.895 6.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.944 14.072 7.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.535 13.434 8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.420 14.641 7.143 1.00 0.00 H new ATOM 276 N ILE A 19 1.536 8.721 4.814 1.00 0.00 N ATOM 277 CA ILE A 19 2.239 7.594 4.225 1.00 0.00 C ATOM 278 C ILE A 19 2.550 6.566 5.315 1.00 0.00 C ATOM 279 O ILE A 19 2.127 5.415 5.226 1.00 0.00 O ATOM 280 CB ILE A 19 3.475 8.074 3.461 1.00 0.00 C ATOM 281 CG1 ILE A 19 3.347 7.769 1.966 1.00 0.00 C ATOM 282 CG2 ILE A 19 4.753 7.482 4.060 1.00 0.00 C ATOM 283 CD1 ILE A 19 4.139 8.778 1.133 1.00 0.00 C ATOM 0 H ILE A 19 1.966 9.630 4.640 1.00 0.00 H new ATOM 0 HA ILE A 19 1.610 7.096 3.487 1.00 0.00 H new ATOM 0 HB ILE A 19 3.543 9.157 3.564 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.709 6.761 1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.297 7.795 1.674 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.617 7.839 3.499 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.844 7.791 5.101 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.710 6.394 4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.032 8.540 0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.758 9.782 1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.192 8.732 1.411 1.00 0.00 H new ATOM 295 N ARG A 20 3.287 7.020 6.318 1.00 0.00 N ATOM 296 CA ARG A 20 3.659 6.154 7.424 1.00 0.00 C ATOM 297 C ARG A 20 2.410 5.553 8.072 1.00 0.00 C ATOM 298 O ARG A 20 2.452 4.441 8.597 1.00 0.00 O ATOM 299 CB ARG A 20 4.454 6.922 8.481 1.00 0.00 C ATOM 300 CG ARG A 20 5.748 7.488 7.891 1.00 0.00 C ATOM 301 CD ARG A 20 6.710 7.925 8.998 1.00 0.00 C ATOM 302 NE ARG A 20 7.866 7.003 9.057 1.00 0.00 N ATOM 303 CZ ARG A 20 8.989 7.249 9.746 1.00 0.00 C ATOM 304 NH1 ARG A 20 9.114 8.390 10.437 1.00 0.00 N ATOM 305 NH2 ARG A 20 9.986 6.354 9.743 1.00 0.00 N ATOM 0 H ARG A 20 3.636 7.976 6.388 1.00 0.00 H new ATOM 0 HA ARG A 20 4.284 5.356 7.024 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.846 7.734 8.879 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.689 6.261 9.315 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.226 6.735 7.265 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.518 8.338 7.248 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.055 8.942 8.811 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.193 7.935 9.957 1.00 0.00 H new ATOM 0 HE ARG A 20 7.804 6.125 8.541 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.355 9.071 10.439 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.968 8.578 10.961 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.890 5.486 9.216 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.841 6.541 10.267 1.00 0.00 H new ATOM 319 N GLU A 21 1.328 6.315 8.014 1.00 0.00 N ATOM 320 CA GLU A 21 0.069 5.871 8.589 1.00 0.00 C ATOM 321 C GLU A 21 -0.492 4.691 7.792 1.00 0.00 C ATOM 322 O GLU A 21 -0.552 3.571 8.296 1.00 0.00 O ATOM 323 CB GLU A 21 -0.941 7.020 8.651 1.00 0.00 C ATOM 324 CG GLU A 21 -0.665 7.927 9.852 1.00 0.00 C ATOM 325 CD GLU A 21 -1.888 8.011 10.768 1.00 0.00 C ATOM 326 OE1 GLU A 21 -2.877 8.642 10.337 1.00 0.00 O ATOM 327 OE2 GLU A 21 -1.804 7.443 11.878 1.00 0.00 O ATOM 0 H GLU A 21 1.297 7.237 7.578 1.00 0.00 H new ATOM 0 HA GLU A 21 0.256 5.539 9.610 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.891 7.603 7.731 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.952 6.618 8.719 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.188 7.545 10.413 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.397 8.925 9.505 1.00 0.00 H new ATOM 334 N THR A 22 -0.887 4.983 6.562 1.00 0.00 N ATOM 335 CA THR A 22 -1.441 3.961 5.692 1.00 0.00 C ATOM 336 C THR A 22 -0.629 2.669 5.803 1.00 0.00 C ATOM 337 O THR A 22 -1.195 1.585 5.935 1.00 0.00 O ATOM 338 CB THR A 22 -1.491 4.526 4.270 1.00 0.00 C ATOM 339 OG1 THR A 22 -2.616 5.402 4.284 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.858 3.465 3.231 1.00 0.00 C ATOM 0 H THR A 22 -0.834 5.913 6.147 1.00 0.00 H new ATOM 0 HA THR A 22 -2.456 3.697 5.989 1.00 0.00 H new ATOM 0 HB THR A 22 -0.524 4.961 4.018 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.629 5.931 3.459 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.880 3.918 2.240 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.116 2.666 3.249 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.840 3.053 3.463 1.00 0.00 H new ATOM 348 N LYS A 23 0.685 2.826 5.746 1.00 0.00 N ATOM 349 CA LYS A 23 1.581 1.687 5.839 1.00 0.00 C ATOM 350 C LYS A 23 1.413 1.021 7.206 1.00 0.00 C ATOM 351 O LYS A 23 1.283 -0.199 7.296 1.00 0.00 O ATOM 352 CB LYS A 23 3.019 2.109 5.533 1.00 0.00 C ATOM 353 CG LYS A 23 3.365 1.853 4.064 1.00 0.00 C ATOM 354 CD LYS A 23 3.346 3.156 3.262 1.00 0.00 C ATOM 355 CE LYS A 23 4.757 3.721 3.099 1.00 0.00 C ATOM 356 NZ LYS A 23 5.547 3.508 4.333 1.00 0.00 N ATOM 0 H LYS A 23 1.151 3.727 5.636 1.00 0.00 H new ATOM 0 HA LYS A 23 1.326 0.940 5.087 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.148 3.167 5.762 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.708 1.558 6.174 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.350 1.393 3.994 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.652 1.148 3.636 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.907 2.977 2.281 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.714 3.887 3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.252 3.240 2.256 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.705 4.786 2.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.422 4.068 4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.989 3.806 5.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.786 2.500 4.423 1.00 0.00 H new ATOM 370 N ASP A 24 1.420 1.853 8.237 1.00 0.00 N ATOM 371 CA ASP A 24 1.270 1.361 9.597 1.00 0.00 C ATOM 372 C ASP A 24 -0.090 0.674 9.738 1.00 0.00 C ATOM 373 O ASP A 24 -0.203 -0.357 10.400 1.00 0.00 O ATOM 374 CB ASP A 24 1.327 2.508 10.607 1.00 0.00 C ATOM 375 CG ASP A 24 2.673 2.679 11.315 1.00 0.00 C ATOM 376 OD1 ASP A 24 3.616 1.960 10.922 1.00 0.00 O ATOM 377 OD2 ASP A 24 2.728 3.526 12.233 1.00 0.00 O ATOM 0 H ASP A 24 1.527 2.864 8.159 1.00 0.00 H new ATOM 0 HA ASP A 24 2.085 0.665 9.796 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.083 3.438 10.093 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.555 2.348 11.360 1.00 0.00 H new ATOM 382 N GLU A 25 -1.089 1.272 9.106 1.00 0.00 N ATOM 383 CA GLU A 25 -2.436 0.731 9.154 1.00 0.00 C ATOM 384 C GLU A 25 -2.444 -0.716 8.658 1.00 0.00 C ATOM 385 O GLU A 25 -3.214 -1.540 9.149 1.00 0.00 O ATOM 386 CB GLU A 25 -3.403 1.594 8.340 1.00 0.00 C ATOM 387 CG GLU A 25 -4.694 1.852 9.117 1.00 0.00 C ATOM 388 CD GLU A 25 -5.032 3.344 9.143 1.00 0.00 C ATOM 389 OE1 GLU A 25 -4.711 4.015 8.139 1.00 0.00 O ATOM 390 OE2 GLU A 25 -5.603 3.779 10.166 1.00 0.00 O ATOM 0 H GLU A 25 -0.992 2.127 8.558 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.774 0.742 10.190 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.928 2.543 8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.635 1.097 7.398 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.514 1.298 8.660 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.589 1.482 10.137 1.00 0.00 H new ATOM 397 N VAL A 26 -1.578 -0.982 7.691 1.00 0.00 N ATOM 398 CA VAL A 26 -1.476 -2.316 7.124 1.00 0.00 C ATOM 399 C VAL A 26 -0.662 -3.205 8.066 1.00 0.00 C ATOM 400 O VAL A 26 -0.963 -4.387 8.225 1.00 0.00 O ATOM 401 CB VAL A 26 -0.887 -2.241 5.714 1.00 0.00 C ATOM 402 CG1 VAL A 26 0.570 -2.708 5.703 1.00 0.00 C ATOM 403 CG2 VAL A 26 -1.729 -3.050 4.725 1.00 0.00 C ATOM 0 H VAL A 26 -0.941 -0.296 7.286 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.464 -2.766 7.026 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.907 -1.198 5.397 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.965 -2.645 4.689 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.161 -2.072 6.363 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.624 -3.740 6.050 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.289 -2.980 3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.755 -4.094 5.038 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.744 -2.653 4.701 1.00 0.00 H new ATOM 413 N ILE A 27 0.356 -2.603 8.665 1.00 0.00 N ATOM 414 CA ILE A 27 1.215 -3.325 9.586 1.00 0.00 C ATOM 415 C ILE A 27 0.375 -3.864 10.745 1.00 0.00 C ATOM 416 O ILE A 27 0.453 -5.047 11.077 1.00 0.00 O ATOM 417 CB ILE A 27 2.384 -2.443 10.032 1.00 0.00 C ATOM 418 CG1 ILE A 27 3.174 -1.930 8.827 1.00 0.00 C ATOM 419 CG2 ILE A 27 3.277 -3.180 11.032 1.00 0.00 C ATOM 420 CD1 ILE A 27 4.367 -2.840 8.527 1.00 0.00 C ATOM 0 H ILE A 27 0.604 -1.623 8.530 1.00 0.00 H new ATOM 0 HA ILE A 27 1.665 -4.186 9.091 1.00 0.00 H new ATOM 0 HB ILE A 27 1.978 -1.571 10.545 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.522 -1.879 7.955 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.525 -0.917 9.022 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.100 -2.531 11.332 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.692 -3.454 11.910 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.677 -4.081 10.567 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.912 -2.453 7.666 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.029 -2.869 9.392 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.011 -3.847 8.309 1.00 0.00 H new ATOM 432 N ALA A 28 -0.410 -2.972 11.330 1.00 0.00 N ATOM 433 CA ALA A 28 -1.264 -3.343 12.446 1.00 0.00 C ATOM 434 C ALA A 28 -2.428 -4.193 11.931 1.00 0.00 C ATOM 435 O ALA A 28 -2.741 -5.235 12.503 1.00 0.00 O ATOM 436 CB ALA A 28 -1.740 -2.080 13.168 1.00 0.00 C ATOM 0 H ALA A 28 -0.473 -1.993 11.052 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.711 -3.943 13.169 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.380 -2.359 14.005 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.878 -1.527 13.540 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.301 -1.454 12.474 1.00 0.00 H new ATOM 442 N GLU A 29 -3.037 -3.715 10.855 1.00 0.00 N ATOM 443 CA GLU A 29 -4.159 -4.418 10.256 1.00 0.00 C ATOM 444 C GLU A 29 -3.780 -5.872 9.965 1.00 0.00 C ATOM 445 O GLU A 29 -4.271 -6.789 10.621 1.00 0.00 O ATOM 446 CB GLU A 29 -4.634 -3.711 8.986 1.00 0.00 C ATOM 447 CG GLU A 29 -5.658 -4.563 8.234 1.00 0.00 C ATOM 448 CD GLU A 29 -6.917 -3.754 7.914 1.00 0.00 C ATOM 449 OE1 GLU A 29 -7.564 -3.304 8.884 1.00 0.00 O ATOM 450 OE2 GLU A 29 -7.204 -3.604 6.707 1.00 0.00 O ATOM 0 H GLU A 29 -2.775 -2.850 10.383 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.986 -4.413 10.966 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.076 -2.749 9.245 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.781 -3.506 8.339 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.217 -4.936 7.310 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.924 -5.433 8.835 1.00 0.00 H new ATOM 457 N GLY A 30 -2.909 -6.036 8.979 1.00 0.00 N ATOM 458 CA GLY A 30 -2.458 -7.362 8.593 1.00 0.00 C ATOM 459 C GLY A 30 -1.194 -7.283 7.733 1.00 0.00 C ATOM 460 O GLY A 30 -0.115 -7.679 8.172 1.00 0.00 O ATOM 0 H GLY A 30 -2.504 -5.273 8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.259 -7.956 9.485 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.247 -7.872 8.040 1.00 0.00 H new ATOM 464 N GLY A 31 -1.370 -6.770 6.525 1.00 0.00 N ATOM 465 CA GLY A 31 -0.258 -6.633 5.600 1.00 0.00 C ATOM 466 C GLY A 31 0.997 -6.138 6.322 1.00 0.00 C ATOM 467 O GLY A 31 0.918 -5.652 7.449 1.00 0.00 O ATOM 0 H GLY A 31 -2.267 -6.444 6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.054 -7.593 5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.524 -5.935 4.806 1.00 0.00 H new ATOM 471 N THR A 32 2.126 -6.277 5.642 1.00 0.00 N ATOM 472 CA THR A 32 3.395 -5.849 6.204 1.00 0.00 C ATOM 473 C THR A 32 4.196 -5.056 5.169 1.00 0.00 C ATOM 474 O THR A 32 3.724 -4.827 4.056 1.00 0.00 O ATOM 475 CB THR A 32 4.127 -7.090 6.718 1.00 0.00 C ATOM 476 OG1 THR A 32 3.080 -7.984 7.083 1.00 0.00 O ATOM 477 CG2 THR A 32 4.871 -6.830 8.028 1.00 0.00 C ATOM 0 H THR A 32 2.188 -6.680 4.707 1.00 0.00 H new ATOM 0 HA THR A 32 3.247 -5.170 7.044 1.00 0.00 H new ATOM 0 HB THR A 32 4.834 -7.434 5.963 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.466 -8.817 7.426 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.373 -7.743 8.349 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.610 -6.043 7.877 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.161 -6.518 8.794 1.00 0.00 H new ATOM 485 N ILE A 33 5.394 -4.659 5.572 1.00 0.00 N ATOM 486 CA ILE A 33 6.265 -3.897 4.693 1.00 0.00 C ATOM 487 C ILE A 33 7.670 -4.505 4.721 1.00 0.00 C ATOM 488 O ILE A 33 8.212 -4.773 5.792 1.00 0.00 O ATOM 489 CB ILE A 33 6.231 -2.413 5.061 1.00 0.00 C ATOM 490 CG1 ILE A 33 4.792 -1.928 5.252 1.00 0.00 C ATOM 491 CG2 ILE A 33 6.985 -1.573 4.028 1.00 0.00 C ATOM 492 CD1 ILE A 33 4.109 -1.691 3.903 1.00 0.00 C ATOM 0 H ILE A 33 5.782 -4.851 6.496 1.00 0.00 H new ATOM 0 HA ILE A 33 5.912 -3.955 3.663 1.00 0.00 H new ATOM 0 HB ILE A 33 6.744 -2.287 6.015 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.229 -2.665 5.824 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.790 -1.005 5.832 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.945 -0.522 4.314 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.025 -1.898 3.984 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.523 -1.700 3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.088 -1.347 4.068 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.661 -0.935 3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.091 -2.622 3.336 1.00 0.00 H new ATOM 504 N THR A 34 8.217 -4.705 3.531 1.00 0.00 N ATOM 505 CA THR A 34 9.546 -5.277 3.405 1.00 0.00 C ATOM 506 C THR A 34 10.514 -4.250 2.815 1.00 0.00 C ATOM 507 O THR A 34 11.710 -4.284 3.097 1.00 0.00 O ATOM 508 CB THR A 34 9.435 -6.556 2.574 1.00 0.00 C ATOM 509 OG1 THR A 34 10.680 -7.216 2.783 1.00 0.00 O ATOM 510 CG2 THR A 34 9.409 -6.276 1.070 1.00 0.00 C ATOM 0 H THR A 34 7.763 -4.481 2.645 1.00 0.00 H new ATOM 0 HA THR A 34 9.956 -5.542 4.379 1.00 0.00 H new ATOM 0 HB THR A 34 8.532 -7.096 2.858 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.693 -8.057 2.280 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.329 -7.217 0.526 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.552 -5.646 0.832 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.327 -5.765 0.779 1.00 0.00 H new ATOM 518 N ASN A 35 9.960 -3.360 2.004 1.00 0.00 N ATOM 519 CA ASN A 35 10.759 -2.325 1.371 1.00 0.00 C ATOM 520 C ASN A 35 9.882 -1.099 1.107 1.00 0.00 C ATOM 521 O ASN A 35 8.656 -1.196 1.109 1.00 0.00 O ATOM 522 CB ASN A 35 11.317 -2.804 0.029 1.00 0.00 C ATOM 523 CG ASN A 35 12.765 -2.347 -0.157 1.00 0.00 C ATOM 524 OD1 ASN A 35 13.257 -1.461 0.524 1.00 0.00 O ATOM 525 ND2 ASN A 35 13.418 -2.998 -1.116 1.00 0.00 N ATOM 0 H ASN A 35 8.967 -3.335 1.771 1.00 0.00 H new ATOM 0 HA ASN A 35 11.585 -2.081 2.039 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.266 -3.892 -0.023 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.702 -2.417 -0.784 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.390 -2.766 -1.319 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.946 -3.729 -1.648 1.00 0.00 H new ATOM 532 N GLU A 36 10.546 0.026 0.887 1.00 0.00 N ATOM 533 CA GLU A 36 9.842 1.270 0.623 1.00 0.00 C ATOM 534 C GLU A 36 10.491 2.009 -0.550 1.00 0.00 C ATOM 535 O GLU A 36 11.587 1.655 -0.981 1.00 0.00 O ATOM 536 CB GLU A 36 9.801 2.154 1.872 1.00 0.00 C ATOM 537 CG GLU A 36 11.035 3.055 1.946 1.00 0.00 C ATOM 538 CD GLU A 36 12.307 2.227 2.149 1.00 0.00 C ATOM 539 OE1 GLU A 36 12.460 1.688 3.266 1.00 0.00 O ATOM 540 OE2 GLU A 36 13.096 2.154 1.182 1.00 0.00 O ATOM 0 H GLU A 36 11.563 0.103 0.886 1.00 0.00 H new ATOM 0 HA GLU A 36 8.813 1.031 0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.899 2.766 1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.749 1.529 2.763 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.119 3.639 1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.923 3.764 2.766 1.00 0.00 H new ATOM 547 N TYR A 37 9.785 3.021 -1.034 1.00 0.00 N ATOM 548 CA TYR A 37 10.278 3.811 -2.149 1.00 0.00 C ATOM 549 C TYR A 37 10.238 5.306 -1.821 1.00 0.00 C ATOM 550 O TYR A 37 9.186 5.937 -1.914 1.00 0.00 O ATOM 551 CB TYR A 37 9.330 3.531 -3.317 1.00 0.00 C ATOM 552 CG TYR A 37 9.456 2.121 -3.896 1.00 0.00 C ATOM 553 CD1 TYR A 37 10.650 1.709 -4.453 1.00 0.00 C ATOM 554 CD2 TYR A 37 8.377 1.262 -3.864 1.00 0.00 C ATOM 555 CE1 TYR A 37 10.770 0.382 -4.999 1.00 0.00 C ATOM 556 CE2 TYR A 37 8.496 -0.065 -4.411 1.00 0.00 C ATOM 557 CZ TYR A 37 9.687 -0.439 -4.951 1.00 0.00 C ATOM 558 OH TYR A 37 9.799 -1.693 -5.467 1.00 0.00 O ATOM 0 H TYR A 37 8.876 3.312 -0.674 1.00 0.00 H new ATOM 0 HA TYR A 37 11.311 3.549 -2.378 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.304 3.685 -2.984 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.521 4.256 -4.108 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.494 2.382 -4.479 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.443 1.585 -3.429 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.699 0.046 -5.437 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.659 -0.747 -4.393 1.00 0.00 H new ATOM 0 HH TYR A 37 8.948 -2.167 -5.363 1.00 0.00 H new ATOM 568 N ASN A 38 11.395 5.828 -1.445 1.00 0.00 N ATOM 569 CA ASN A 38 11.506 7.236 -1.103 1.00 0.00 C ATOM 570 C ASN A 38 12.232 7.973 -2.229 1.00 0.00 C ATOM 571 O ASN A 38 13.371 8.406 -2.059 1.00 0.00 O ATOM 572 CB ASN A 38 12.310 7.428 0.184 1.00 0.00 C ATOM 573 CG ASN A 38 13.509 6.479 0.230 1.00 0.00 C ATOM 574 OD1 ASN A 38 13.259 5.320 0.833 1.00 0.00 O flip ATOM 575 ND2 ASN A 38 14.590 6.779 -0.252 1.00 0.00 N flip ATOM 0 H ASN A 38 12.265 5.301 -1.369 1.00 0.00 H new ATOM 0 HA ASN A 38 10.500 7.630 -0.961 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.656 8.460 0.250 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.669 7.251 1.047 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.714 7.686 -0.701 1.00 0.00 H new ATOM 0 HD22 ASN A 38 15.369 6.122 -0.206 1.00 0.00 H new ATOM 582 N MET A 39 11.545 8.094 -3.355 1.00 0.00 N ATOM 583 CA MET A 39 12.110 8.773 -4.509 1.00 0.00 C ATOM 584 C MET A 39 11.511 10.170 -4.671 1.00 0.00 C ATOM 585 O MET A 39 10.454 10.465 -4.116 1.00 0.00 O ATOM 586 CB MET A 39 11.836 7.950 -5.769 1.00 0.00 C ATOM 587 CG MET A 39 13.005 7.013 -6.078 1.00 0.00 C ATOM 588 SD MET A 39 12.407 5.347 -6.309 1.00 0.00 S ATOM 589 CE MET A 39 13.913 4.434 -6.015 1.00 0.00 C ATOM 0 H MET A 39 10.601 7.733 -3.493 1.00 0.00 H new ATOM 0 HA MET A 39 13.185 8.875 -4.357 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.924 7.368 -5.636 1.00 0.00 H new ATOM 0 HB3 MET A 39 11.667 8.618 -6.614 1.00 0.00 H new ATOM 0 HG2 MET A 39 13.524 7.350 -6.975 1.00 0.00 H new ATOM 0 HG3 MET A 39 13.728 7.039 -5.263 1.00 0.00 H new ATOM 0 HE1 MET A 39 13.718 3.367 -6.120 1.00 0.00 H new ATOM 0 HE2 MET A 39 14.670 4.737 -6.739 1.00 0.00 H new ATOM 0 HE3 MET A 39 14.272 4.640 -5.007 1.00 0.00 H new ATOM 599 N PRO A 40 12.232 11.017 -5.453 1.00 0.00 N ATOM 600 CA PRO A 40 11.783 12.378 -5.695 1.00 0.00 C ATOM 601 C PRO A 40 10.616 12.403 -6.684 1.00 0.00 C ATOM 602 O PRO A 40 10.812 12.228 -7.886 1.00 0.00 O ATOM 603 CB PRO A 40 13.011 13.113 -6.207 1.00 0.00 C ATOM 604 CG PRO A 40 13.977 12.035 -6.674 1.00 0.00 C ATOM 605 CD PRO A 40 13.489 10.704 -6.126 1.00 0.00 C ATOM 0 HA PRO A 40 11.394 12.858 -4.797 1.00 0.00 H new ATOM 0 HB2 PRO A 40 12.751 13.785 -7.025 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.457 13.723 -5.422 1.00 0.00 H new ATOM 0 HG2 PRO A 40 14.021 12.007 -7.763 1.00 0.00 H new ATOM 0 HG3 PRO A 40 14.986 12.247 -6.320 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.340 9.978 -6.925 1.00 0.00 H new ATOM 0 HD3 PRO A 40 14.212 10.272 -5.434 1.00 0.00 H new ATOM 613 N GLY A 41 9.428 12.621 -6.141 1.00 0.00 N ATOM 614 CA GLY A 41 8.228 12.671 -6.961 1.00 0.00 C ATOM 615 C GLY A 41 7.461 11.349 -6.892 1.00 0.00 C ATOM 616 O GLY A 41 6.321 11.264 -7.345 1.00 0.00 O ATOM 0 H GLY A 41 9.270 12.765 -5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.587 13.486 -6.624 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.498 12.885 -7.995 1.00 0.00 H new ATOM 620 N MET A 42 8.117 10.351 -6.320 1.00 0.00 N ATOM 621 CA MET A 42 7.511 9.037 -6.184 1.00 0.00 C ATOM 622 C MET A 42 7.481 8.595 -4.719 1.00 0.00 C ATOM 623 O MET A 42 8.527 8.428 -4.095 1.00 0.00 O ATOM 624 CB MET A 42 8.306 8.020 -7.007 1.00 0.00 C ATOM 625 CG MET A 42 7.704 6.620 -6.877 1.00 0.00 C ATOM 626 SD MET A 42 8.834 5.407 -7.540 1.00 0.00 S ATOM 627 CE MET A 42 7.992 4.997 -9.060 1.00 0.00 C ATOM 0 H MET A 42 9.063 10.425 -5.945 1.00 0.00 H new ATOM 0 HA MET A 42 6.485 9.092 -6.549 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.314 8.321 -8.055 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.343 8.006 -6.672 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.495 6.401 -5.830 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.754 6.573 -7.409 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.566 4.246 -9.603 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.002 4.602 -8.832 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.893 5.892 -9.674 1.00 0.00 H new ATOM 637 N LYS A 43 6.269 8.419 -4.214 1.00 0.00 N ATOM 638 CA LYS A 43 6.088 8.000 -2.834 1.00 0.00 C ATOM 639 C LYS A 43 5.307 6.684 -2.804 1.00 0.00 C ATOM 640 O LYS A 43 4.077 6.688 -2.795 1.00 0.00 O ATOM 641 CB LYS A 43 5.441 9.118 -2.015 1.00 0.00 C ATOM 642 CG LYS A 43 6.500 10.063 -1.444 1.00 0.00 C ATOM 643 CD LYS A 43 5.850 11.215 -0.675 1.00 0.00 C ATOM 644 CE LYS A 43 5.677 12.443 -1.571 1.00 0.00 C ATOM 645 NZ LYS A 43 6.987 13.075 -1.844 1.00 0.00 N ATOM 0 H LYS A 43 5.403 8.559 -4.735 1.00 0.00 H new ATOM 0 HA LYS A 43 7.053 7.810 -2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.748 9.679 -2.642 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.857 8.687 -1.202 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.167 9.510 -0.783 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.112 10.461 -2.254 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.879 10.900 -0.292 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.464 11.473 0.188 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.205 12.152 -2.509 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.014 13.161 -1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.843 14.068 -2.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.578 13.032 -0.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.462 12.569 -2.619 1.00 0.00 H new ATOM 659 N GLY A 44 6.053 5.590 -2.787 1.00 0.00 N ATOM 660 CA GLY A 44 5.446 4.270 -2.758 1.00 0.00 C ATOM 661 C GLY A 44 6.220 3.331 -1.830 1.00 0.00 C ATOM 662 O GLY A 44 7.135 3.760 -1.130 1.00 0.00 O ATOM 0 H GLY A 44 7.073 5.590 -2.793 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.412 4.349 -2.422 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.423 3.854 -3.765 1.00 0.00 H new ATOM 666 N PHE A 45 5.824 2.067 -1.855 1.00 0.00 N ATOM 667 CA PHE A 45 6.469 1.064 -1.025 1.00 0.00 C ATOM 668 C PHE A 45 6.104 -0.348 -1.488 1.00 0.00 C ATOM 669 O PHE A 45 5.115 -0.537 -2.195 1.00 0.00 O ATOM 670 CB PHE A 45 5.956 1.268 0.402 1.00 0.00 C ATOM 671 CG PHE A 45 4.525 0.773 0.626 1.00 0.00 C ATOM 672 CD1 PHE A 45 3.473 1.595 0.366 1.00 0.00 C ATOM 673 CD2 PHE A 45 4.306 -0.487 1.087 1.00 0.00 C ATOM 674 CE1 PHE A 45 2.146 1.135 0.573 1.00 0.00 C ATOM 675 CE2 PHE A 45 2.980 -0.947 1.295 1.00 0.00 C ATOM 676 CZ PHE A 45 1.927 -0.126 1.034 1.00 0.00 C ATOM 0 H PHE A 45 5.064 1.714 -2.437 1.00 0.00 H new ATOM 0 HA PHE A 45 7.552 1.169 -1.088 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.621 0.751 1.094 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.005 2.329 0.646 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.647 2.597 0.002 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.142 -1.138 1.295 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.310 1.786 0.364 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.807 -1.948 1.660 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.917 -0.475 1.193 1.00 0.00 H new ATOM 686 N ALA A 46 6.923 -1.303 -1.071 1.00 0.00 N ATOM 687 CA ALA A 46 6.699 -2.691 -1.435 1.00 0.00 C ATOM 688 C ALA A 46 6.794 -3.564 -0.182 1.00 0.00 C ATOM 689 O ALA A 46 7.618 -3.308 0.696 1.00 0.00 O ATOM 690 CB ALA A 46 7.704 -3.106 -2.511 1.00 0.00 C ATOM 0 H ALA A 46 7.742 -1.142 -0.485 1.00 0.00 H new ATOM 0 HA ALA A 46 5.701 -2.821 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.536 -4.148 -2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.576 -2.475 -3.391 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.717 -2.991 -2.126 1.00 0.00 H new ATOM 696 N GLY A 47 5.941 -4.576 -0.138 1.00 0.00 N ATOM 697 CA GLY A 47 5.919 -5.487 0.994 1.00 0.00 C ATOM 698 C GLY A 47 4.846 -6.563 0.809 1.00 0.00 C ATOM 699 O GLY A 47 4.542 -6.957 -0.315 1.00 0.00 O ATOM 0 H GLY A 47 5.260 -4.786 -0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.896 -5.957 1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.726 -4.930 1.911 1.00 0.00 H new ATOM 703 N GLU A 48 4.301 -7.008 1.933 1.00 0.00 N ATOM 704 CA GLU A 48 3.269 -8.031 1.910 1.00 0.00 C ATOM 705 C GLU A 48 1.891 -7.398 2.118 1.00 0.00 C ATOM 706 O GLU A 48 1.699 -6.610 3.043 1.00 0.00 O ATOM 707 CB GLU A 48 3.542 -9.108 2.960 1.00 0.00 C ATOM 708 CG GLU A 48 4.516 -10.160 2.427 1.00 0.00 C ATOM 709 CD GLU A 48 5.567 -10.518 3.479 1.00 0.00 C ATOM 710 OE1 GLU A 48 6.260 -9.581 3.931 1.00 0.00 O ATOM 711 OE2 GLU A 48 5.653 -11.721 3.809 1.00 0.00 O ATOM 0 H GLU A 48 4.555 -6.679 2.864 1.00 0.00 H new ATOM 0 HA GLU A 48 3.283 -8.513 0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.954 -8.649 3.859 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.606 -9.587 3.247 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.967 -11.056 2.137 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.008 -9.784 1.530 1.00 0.00 H new ATOM 718 N LEU A 49 0.967 -7.766 1.242 1.00 0.00 N ATOM 719 CA LEU A 49 -0.386 -7.245 1.318 1.00 0.00 C ATOM 720 C LEU A 49 -1.381 -8.392 1.129 1.00 0.00 C ATOM 721 O LEU A 49 -0.997 -9.561 1.146 1.00 0.00 O ATOM 722 CB LEU A 49 -0.575 -6.097 0.325 1.00 0.00 C ATOM 723 CG LEU A 49 -0.381 -4.687 0.884 1.00 0.00 C ATOM 724 CD1 LEU A 49 1.018 -4.524 1.486 1.00 0.00 C ATOM 725 CD2 LEU A 49 -0.672 -3.629 -0.181 1.00 0.00 C ATOM 0 H LEU A 49 1.130 -8.419 0.476 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.575 -6.818 2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.123 -6.238 -0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.580 -6.166 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.099 -4.538 1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.130 -3.513 1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.152 -5.242 2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.768 -4.701 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.526 -2.636 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.005 -3.766 -1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.702 -3.730 -0.522 1.00 0.00 H new ATOM 737 N THR A 50 -2.640 -8.018 0.954 1.00 0.00 N ATOM 738 CA THR A 50 -3.693 -9.001 0.762 1.00 0.00 C ATOM 739 C THR A 50 -4.888 -8.369 0.045 1.00 0.00 C ATOM 740 O THR A 50 -4.832 -7.208 -0.356 1.00 0.00 O ATOM 741 CB THR A 50 -4.046 -9.588 2.130 1.00 0.00 C ATOM 742 OG1 THR A 50 -3.042 -9.073 2.999 1.00 0.00 O ATOM 743 CG2 THR A 50 -3.845 -11.104 2.185 1.00 0.00 C ATOM 0 H THR A 50 -2.955 -7.048 0.941 1.00 0.00 H new ATOM 0 HA THR A 50 -3.362 -9.816 0.118 1.00 0.00 H new ATOM 0 HB THR A 50 -5.082 -9.350 2.371 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.196 -9.403 3.909 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.109 -11.470 3.177 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.481 -11.583 1.440 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.801 -11.340 1.977 1.00 0.00 H new ATOM 751 N PRO A 51 -5.968 -9.184 -0.098 1.00 0.00 N ATOM 752 CA PRO A 51 -7.174 -8.717 -0.761 1.00 0.00 C ATOM 753 C PRO A 51 -7.964 -7.770 0.144 1.00 0.00 C ATOM 754 O PRO A 51 -8.667 -6.884 -0.341 1.00 0.00 O ATOM 755 CB PRO A 51 -7.942 -9.979 -1.115 1.00 0.00 C ATOM 756 CG PRO A 51 -7.370 -11.077 -0.232 1.00 0.00 C ATOM 757 CD PRO A 51 -6.069 -10.564 0.363 1.00 0.00 C ATOM 0 HA PRO A 51 -6.963 -8.132 -1.656 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.009 -9.850 -0.936 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.824 -10.225 -2.170 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.075 -11.338 0.558 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.194 -11.982 -0.814 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.084 -10.617 1.452 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.219 -11.157 0.026 1.00 0.00 H new ATOM 765 N GLN A 52 -7.824 -7.990 1.443 1.00 0.00 N ATOM 766 CA GLN A 52 -8.515 -7.167 2.421 1.00 0.00 C ATOM 767 C GLN A 52 -7.946 -5.747 2.419 1.00 0.00 C ATOM 768 O GLN A 52 -8.662 -4.787 2.137 1.00 0.00 O ATOM 769 CB GLN A 52 -8.434 -7.788 3.816 1.00 0.00 C ATOM 770 CG GLN A 52 -9.762 -8.445 4.202 1.00 0.00 C ATOM 771 CD GLN A 52 -10.137 -9.546 3.208 1.00 0.00 C ATOM 772 OE1 GLN A 52 -11.238 -9.596 2.684 1.00 0.00 O ATOM 773 NE2 GLN A 52 -9.164 -10.422 2.978 1.00 0.00 N ATOM 0 H GLN A 52 -7.242 -8.727 1.841 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.568 -7.115 2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.636 -8.530 3.842 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -8.179 -7.020 4.546 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.686 -8.866 5.205 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.550 -7.692 4.231 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.265 -10.322 3.450 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.316 -11.194 2.329 1.00 0.00 H new ATOM 782 N SER A 53 -6.663 -5.658 2.735 1.00 0.00 N ATOM 783 CA SER A 53 -5.988 -4.372 2.774 1.00 0.00 C ATOM 784 C SER A 53 -6.240 -3.610 1.471 1.00 0.00 C ATOM 785 O SER A 53 -6.403 -2.391 1.482 1.00 0.00 O ATOM 786 CB SER A 53 -4.485 -4.544 3.006 1.00 0.00 C ATOM 787 OG SER A 53 -4.129 -4.344 4.370 1.00 0.00 O ATOM 0 H SER A 53 -6.072 -6.456 2.967 1.00 0.00 H new ATOM 0 HA SER A 53 -6.393 -3.799 3.608 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.182 -5.544 2.695 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.939 -3.837 2.381 1.00 0.00 H new ATOM 0 HG SER A 53 -4.618 -3.573 4.726 1.00 0.00 H new ATOM 793 N LEU A 54 -6.264 -4.360 0.379 1.00 0.00 N ATOM 794 CA LEU A 54 -6.494 -3.771 -0.929 1.00 0.00 C ATOM 795 C LEU A 54 -7.774 -2.935 -0.889 1.00 0.00 C ATOM 796 O LEU A 54 -7.719 -1.706 -0.905 1.00 0.00 O ATOM 797 CB LEU A 54 -6.499 -4.852 -2.010 1.00 0.00 C ATOM 798 CG LEU A 54 -5.332 -4.818 -2.999 1.00 0.00 C ATOM 799 CD1 LEU A 54 -3.993 -4.977 -2.272 1.00 0.00 C ATOM 800 CD2 LEU A 54 -5.513 -5.866 -4.099 1.00 0.00 C ATOM 0 H LEU A 54 -6.128 -5.371 0.373 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.680 -3.095 -1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.507 -5.826 -1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.429 -4.770 -2.573 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.324 -3.841 -3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.180 -4.950 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.869 -4.164 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.976 -5.931 -1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.670 -5.820 -4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.562 -6.859 -3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.437 -5.667 -4.643 1.00 0.00 H new ATOM 812 N THR A 55 -8.898 -3.635 -0.838 1.00 0.00 N ATOM 813 CA THR A 55 -10.191 -2.971 -0.796 1.00 0.00 C ATOM 814 C THR A 55 -10.112 -1.701 0.052 1.00 0.00 C ATOM 815 O THR A 55 -10.828 -0.735 -0.203 1.00 0.00 O ATOM 816 CB THR A 55 -11.222 -3.979 -0.285 1.00 0.00 C ATOM 817 OG1 THR A 55 -11.395 -4.883 -1.374 1.00 0.00 O ATOM 818 CG2 THR A 55 -12.607 -3.357 -0.095 1.00 0.00 C ATOM 0 H THR A 55 -8.941 -4.654 -0.825 1.00 0.00 H new ATOM 0 HA THR A 55 -10.499 -2.642 -1.788 1.00 0.00 H new ATOM 0 HB THR A 55 -10.879 -4.398 0.661 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.047 -5.572 -1.127 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.300 -4.116 0.269 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.545 -2.545 0.630 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.964 -2.966 -1.048 1.00 0.00 H new ATOM 826 N LYS A 56 -9.234 -1.743 1.044 1.00 0.00 N ATOM 827 CA LYS A 56 -9.051 -0.608 1.932 1.00 0.00 C ATOM 828 C LYS A 56 -8.632 0.613 1.110 1.00 0.00 C ATOM 829 O LYS A 56 -9.414 1.544 0.930 1.00 0.00 O ATOM 830 CB LYS A 56 -8.075 -0.958 3.056 1.00 0.00 C ATOM 831 CG LYS A 56 -8.457 -0.245 4.355 1.00 0.00 C ATOM 832 CD LYS A 56 -7.845 1.156 4.413 1.00 0.00 C ATOM 833 CE LYS A 56 -6.320 1.093 4.312 1.00 0.00 C ATOM 834 NZ LYS A 56 -5.713 2.325 4.864 1.00 0.00 N ATOM 0 H LYS A 56 -8.641 -2.547 1.252 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.989 -0.355 2.425 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.071 -2.036 3.216 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.063 -0.675 2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.542 -0.175 4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.116 -0.830 5.209 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.242 1.764 3.600 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.131 1.643 5.345 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.949 0.223 4.854 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.023 0.969 3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.677 2.266 4.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.053 3.149 4.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.981 2.426 5.864 1.00 0.00 H new ATOM 848 N PHE A 57 -7.396 0.569 0.634 1.00 0.00 N ATOM 849 CA PHE A 57 -6.862 1.660 -0.164 1.00 0.00 C ATOM 850 C PHE A 57 -7.125 1.429 -1.653 1.00 0.00 C ATOM 851 O PHE A 57 -6.501 2.063 -2.503 1.00 0.00 O ATOM 852 CB PHE A 57 -5.352 1.693 0.076 1.00 0.00 C ATOM 853 CG PHE A 57 -4.684 0.317 0.025 1.00 0.00 C ATOM 854 CD1 PHE A 57 -4.541 -0.327 -1.165 1.00 0.00 C ATOM 855 CD2 PHE A 57 -4.234 -0.263 1.170 1.00 0.00 C ATOM 856 CE1 PHE A 57 -3.921 -1.604 -1.212 1.00 0.00 C ATOM 857 CE2 PHE A 57 -3.614 -1.540 1.123 1.00 0.00 C ATOM 858 CZ PHE A 57 -3.471 -2.184 -0.067 1.00 0.00 C ATOM 0 H PHE A 57 -6.749 -0.205 0.786 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.339 2.598 0.121 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.890 2.338 -0.671 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.159 2.144 1.050 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.899 0.133 -2.074 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.348 0.247 2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.807 -2.114 -2.157 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.256 -2.000 2.032 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.000 -3.155 -0.102 1.00 0.00 H new ATOM 868 N GLN A 58 -8.051 0.521 -1.925 1.00 0.00 N ATOM 869 CA GLN A 58 -8.404 0.200 -3.297 1.00 0.00 C ATOM 870 C GLN A 58 -9.565 1.079 -3.765 1.00 0.00 C ATOM 871 O GLN A 58 -9.588 1.523 -4.913 1.00 0.00 O ATOM 872 CB GLN A 58 -8.747 -1.284 -3.441 1.00 0.00 C ATOM 873 CG GLN A 58 -7.548 -2.076 -3.966 1.00 0.00 C ATOM 874 CD GLN A 58 -7.992 -3.144 -4.967 1.00 0.00 C ATOM 875 OE1 GLN A 58 -9.164 -3.448 -5.110 1.00 0.00 O ATOM 876 NE2 GLN A 58 -6.992 -3.696 -5.649 1.00 0.00 N ATOM 0 H GLN A 58 -8.567 -0.002 -1.218 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.541 0.403 -3.931 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -9.057 -1.684 -2.476 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.591 -1.401 -4.121 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.840 -1.398 -4.443 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.026 -2.548 -3.133 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.032 -3.395 -5.480 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.185 -4.420 -6.341 1.00 0.00 H new ATOM 885 N GLY A 59 -10.501 1.304 -2.855 1.00 0.00 N ATOM 886 CA GLY A 59 -11.662 2.123 -3.161 1.00 0.00 C ATOM 887 C GLY A 59 -11.345 3.610 -2.989 1.00 0.00 C ATOM 888 O GLY A 59 -11.740 4.432 -3.814 1.00 0.00 O ATOM 0 H GLY A 59 -10.479 0.933 -1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.986 1.933 -4.184 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.489 1.846 -2.508 1.00 0.00 H new ATOM 892 N LEU A 60 -10.635 3.910 -1.911 1.00 0.00 N ATOM 893 CA LEU A 60 -10.262 5.283 -1.620 1.00 0.00 C ATOM 894 C LEU A 60 -9.211 5.747 -2.631 1.00 0.00 C ATOM 895 O LEU A 60 -8.845 6.921 -2.656 1.00 0.00 O ATOM 896 CB LEU A 60 -9.814 5.419 -0.163 1.00 0.00 C ATOM 897 CG LEU A 60 -8.720 6.453 0.111 1.00 0.00 C ATOM 898 CD1 LEU A 60 -9.283 7.875 0.059 1.00 0.00 C ATOM 899 CD2 LEU A 60 -8.010 6.164 1.435 1.00 0.00 C ATOM 0 H LEU A 60 -10.309 3.225 -1.229 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.123 5.942 -1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.685 5.673 0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.460 4.446 0.179 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.972 6.375 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.484 8.590 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.703 8.064 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.064 7.985 0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.237 6.914 1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.733 6.197 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.553 5.175 1.395 1.00 0.00 H new ATOM 911 N GLN A 61 -8.756 4.801 -3.439 1.00 0.00 N ATOM 912 CA GLN A 61 -7.755 5.098 -4.449 1.00 0.00 C ATOM 913 C GLN A 61 -8.088 6.414 -5.155 1.00 0.00 C ATOM 914 O GLN A 61 -9.194 6.933 -5.020 1.00 0.00 O ATOM 915 CB GLN A 61 -7.635 3.951 -5.456 1.00 0.00 C ATOM 916 CG GLN A 61 -6.182 3.760 -5.898 1.00 0.00 C ATOM 917 CD GLN A 61 -6.101 3.474 -7.399 1.00 0.00 C ATOM 918 OE1 GLN A 61 -6.570 4.235 -8.229 1.00 0.00 O ATOM 919 NE2 GLN A 61 -5.479 2.337 -7.699 1.00 0.00 N ATOM 0 H GLN A 61 -9.062 3.828 -3.415 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.790 5.207 -3.955 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.007 3.029 -5.009 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.259 4.158 -6.325 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.605 4.655 -5.663 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.734 2.936 -5.342 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.110 1.746 -6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.371 2.056 -8.674 1.00 0.00 H new ATOM 928 N GLY A 62 -7.108 6.916 -5.893 1.00 0.00 N ATOM 929 CA GLY A 62 -7.283 8.162 -6.620 1.00 0.00 C ATOM 930 C GLY A 62 -6.945 9.365 -5.737 1.00 0.00 C ATOM 931 O GLY A 62 -6.302 10.310 -6.189 1.00 0.00 O ATOM 0 H GLY A 62 -6.191 6.483 -6.003 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.645 8.164 -7.504 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.312 8.241 -6.970 1.00 0.00 H new ATOM 935 N ASP A 63 -7.394 9.289 -4.493 1.00 0.00 N ATOM 936 CA ASP A 63 -7.148 10.359 -3.542 1.00 0.00 C ATOM 937 C ASP A 63 -6.208 9.855 -2.444 1.00 0.00 C ATOM 938 O ASP A 63 -6.196 10.392 -1.338 1.00 0.00 O ATOM 939 CB ASP A 63 -8.448 10.817 -2.877 1.00 0.00 C ATOM 940 CG ASP A 63 -8.654 12.333 -2.834 1.00 0.00 C ATOM 941 OD1 ASP A 63 -8.760 12.922 -3.931 1.00 0.00 O ATOM 942 OD2 ASP A 63 -8.701 12.867 -1.705 1.00 0.00 O ATOM 0 H ASP A 63 -7.927 8.503 -4.122 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.707 11.195 -4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.288 10.366 -3.406 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.471 10.433 -1.857 1.00 0.00 H new ATOM 947 N LEU A 64 -5.444 8.829 -2.790 1.00 0.00 N ATOM 948 CA LEU A 64 -4.504 8.247 -1.848 1.00 0.00 C ATOM 949 C LEU A 64 -3.443 7.455 -2.616 1.00 0.00 C ATOM 950 O LEU A 64 -2.266 7.812 -2.603 1.00 0.00 O ATOM 951 CB LEU A 64 -5.244 7.421 -0.793 1.00 0.00 C ATOM 952 CG LEU A 64 -4.456 6.266 -0.173 1.00 0.00 C ATOM 953 CD1 LEU A 64 -3.439 6.780 0.847 1.00 0.00 C ATOM 954 CD2 LEU A 64 -5.399 5.222 0.432 1.00 0.00 C ATOM 0 H LEU A 64 -5.457 8.386 -3.709 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.982 9.030 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.560 8.090 0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.149 7.016 -1.246 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.894 5.772 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.893 5.938 1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.739 7.455 0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.959 7.314 1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.814 4.411 0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.007 5.687 1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.049 4.823 -0.347 1.00 0.00 H new ATOM 966 N ILE A 65 -3.899 6.395 -3.268 1.00 0.00 N ATOM 967 CA ILE A 65 -3.005 5.550 -4.040 1.00 0.00 C ATOM 968 C ILE A 65 -3.003 6.015 -5.498 1.00 0.00 C ATOM 969 O ILE A 65 -4.059 6.140 -6.114 1.00 0.00 O ATOM 970 CB ILE A 65 -3.377 4.076 -3.866 1.00 0.00 C ATOM 971 CG1 ILE A 65 -3.426 3.695 -2.385 1.00 0.00 C ATOM 972 CG2 ILE A 65 -2.428 3.174 -4.658 1.00 0.00 C ATOM 973 CD1 ILE A 65 -2.988 2.243 -2.177 1.00 0.00 C ATOM 0 H ILE A 65 -4.876 6.103 -3.277 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.983 5.643 -3.673 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.378 3.926 -4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.778 4.359 -1.813 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.438 3.831 -2.004 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.714 2.132 -4.517 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.485 3.426 -5.717 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.407 3.321 -4.305 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.032 1.998 -1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.653 1.580 -2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.967 2.116 -2.537 1.00 0.00 H new ATOM 985 N ASP A 66 -1.803 6.258 -6.006 1.00 0.00 N ATOM 986 CA ASP A 66 -1.650 6.706 -7.380 1.00 0.00 C ATOM 987 C ASP A 66 -1.672 5.494 -8.313 1.00 0.00 C ATOM 988 O ASP A 66 -2.269 5.543 -9.387 1.00 0.00 O ATOM 989 CB ASP A 66 -0.317 7.431 -7.577 1.00 0.00 C ATOM 990 CG ASP A 66 -0.422 8.814 -8.222 1.00 0.00 C ATOM 991 OD1 ASP A 66 -1.546 9.359 -8.215 1.00 0.00 O ATOM 992 OD2 ASP A 66 0.625 9.294 -8.707 1.00 0.00 O ATOM 0 H ASP A 66 -0.929 6.153 -5.491 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.469 7.389 -7.605 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.169 7.535 -6.607 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.331 6.808 -8.193 1.00 0.00 H new ATOM 997 N SER A 67 -1.013 4.433 -7.869 1.00 0.00 N ATOM 998 CA SER A 67 -0.950 3.210 -8.651 1.00 0.00 C ATOM 999 C SER A 67 -0.902 1.996 -7.721 1.00 0.00 C ATOM 1000 O SER A 67 -0.212 2.017 -6.704 1.00 0.00 O ATOM 1001 CB SER A 67 0.265 3.214 -9.581 1.00 0.00 C ATOM 1002 OG SER A 67 0.222 4.292 -10.512 1.00 0.00 O ATOM 0 H SER A 67 -0.518 4.395 -6.978 1.00 0.00 H new ATOM 0 HA SER A 67 -1.847 3.152 -9.268 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.176 3.285 -8.987 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.310 2.269 -10.122 1.00 0.00 H new ATOM 0 HG SER A 67 1.016 4.260 -11.086 1.00 0.00 H new ATOM 1008 N ILE A 68 -1.646 0.969 -8.105 1.00 0.00 N ATOM 1009 CA ILE A 68 -1.697 -0.252 -7.317 1.00 0.00 C ATOM 1010 C ILE A 68 -1.327 -1.441 -8.205 1.00 0.00 C ATOM 1011 O ILE A 68 -1.844 -1.578 -9.313 1.00 0.00 O ATOM 1012 CB ILE A 68 -3.060 -0.393 -6.636 1.00 0.00 C ATOM 1013 CG1 ILE A 68 -2.931 -1.125 -5.299 1.00 0.00 C ATOM 1014 CG2 ILE A 68 -4.070 -1.069 -7.565 1.00 0.00 C ATOM 1015 CD1 ILE A 68 -3.569 -0.316 -4.167 1.00 0.00 C ATOM 0 H ILE A 68 -2.218 0.957 -8.950 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.966 -0.216 -6.510 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.440 0.606 -6.421 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.410 -2.102 -5.367 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.879 -1.301 -5.077 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.030 -1.157 -7.056 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.191 -0.471 -8.468 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.709 -2.062 -7.833 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.463 -0.859 -3.228 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.072 0.651 -4.085 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.627 -0.163 -4.381 1.00 0.00 H new ATOM 1027 N GLU A 69 -0.436 -2.272 -7.684 1.00 0.00 N ATOM 1028 CA GLU A 69 0.009 -3.446 -8.416 1.00 0.00 C ATOM 1029 C GLU A 69 0.086 -4.655 -7.482 1.00 0.00 C ATOM 1030 O GLU A 69 1.029 -4.784 -6.701 1.00 0.00 O ATOM 1031 CB GLU A 69 1.357 -3.192 -9.094 1.00 0.00 C ATOM 1032 CG GLU A 69 1.575 -4.158 -10.260 1.00 0.00 C ATOM 1033 CD GLU A 69 1.228 -5.592 -9.854 1.00 0.00 C ATOM 1034 OE1 GLU A 69 1.953 -6.129 -8.991 1.00 0.00 O ATOM 1035 OE2 GLU A 69 0.245 -6.119 -10.419 1.00 0.00 O ATOM 0 H GLU A 69 -0.010 -2.156 -6.764 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.719 -3.660 -9.198 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.398 -2.165 -9.456 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.161 -3.307 -8.367 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.959 -3.857 -11.107 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.613 -4.110 -10.588 1.00 0.00 H new ATOM 1042 N GLU A 70 -0.918 -5.513 -7.592 1.00 0.00 N ATOM 1043 CA GLU A 70 -0.976 -6.708 -6.767 1.00 0.00 C ATOM 1044 C GLU A 70 -0.209 -7.851 -7.433 1.00 0.00 C ATOM 1045 O GLU A 70 -0.360 -8.090 -8.631 1.00 0.00 O ATOM 1046 CB GLU A 70 -2.426 -7.112 -6.488 1.00 0.00 C ATOM 1047 CG GLU A 70 -3.175 -7.398 -7.789 1.00 0.00 C ATOM 1048 CD GLU A 70 -3.490 -8.889 -7.925 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -4.305 -9.374 -7.111 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -2.907 -9.510 -8.840 1.00 0.00 O ATOM 0 H GLU A 70 -1.698 -5.404 -8.240 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.503 -6.488 -5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.445 -7.997 -5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.930 -6.315 -5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.101 -6.824 -7.813 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.575 -7.071 -8.638 1.00 0.00 H new ATOM 1057 N ASP A 71 0.600 -8.526 -6.630 1.00 0.00 N ATOM 1058 CA ASP A 71 1.392 -9.638 -7.127 1.00 0.00 C ATOM 1059 C ASP A 71 1.152 -10.864 -6.244 1.00 0.00 C ATOM 1060 O ASP A 71 1.917 -11.827 -6.290 1.00 0.00 O ATOM 1061 CB ASP A 71 2.886 -9.311 -7.087 1.00 0.00 C ATOM 1062 CG ASP A 71 3.752 -10.127 -8.049 1.00 0.00 C ATOM 1063 OD1 ASP A 71 3.179 -10.637 -9.035 1.00 0.00 O ATOM 1064 OD2 ASP A 71 4.968 -10.222 -7.775 1.00 0.00 O ATOM 0 H ASP A 71 0.724 -8.324 -5.638 1.00 0.00 H new ATOM 0 HA ASP A 71 1.093 -9.832 -8.157 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.017 -8.253 -7.312 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.250 -9.468 -6.072 1.00 0.00 H new ATOM 1069 N GLY A 72 0.087 -10.790 -5.459 1.00 0.00 N ATOM 1070 CA GLY A 72 -0.262 -11.882 -4.566 1.00 0.00 C ATOM 1071 C GLY A 72 -1.257 -12.837 -5.231 1.00 0.00 C ATOM 1072 O GLY A 72 -1.015 -14.041 -5.299 1.00 0.00 O ATOM 0 H GLY A 72 -0.546 -9.991 -5.423 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.638 -12.428 -4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.694 -11.482 -3.648 1.00 0.00 H new