USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 602 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 NoAdj : A 56 ASNHD21 : A 56 ASN OD1 : A 105 LALA :(metal ligand) USER MOD NoAdj : A 56 ASNHD22 : A 56 ASN OD1 : A 105 LALA :(metal ligand) USER MOD Single : A 1 LYS N :NH3+ -168:sc= 0 (180deg=-0.13) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.564 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 165:sc= -1.02 USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.082) USER MOD Single : A 21 ASN : amide:sc= -1.91! X(o=-1.9!,f=-1.8) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.822 F(o=-1.5,f=-0.82) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.02 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.51 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 94:sc= 0.913 USER MOD Single : A 67 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.0065) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -162:sc= -0.703 (180deg=-1.48) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.079) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LYS A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LYS A 1 3.151 -1.085 -1.188 1.00 0.00 C ATOM 4 O LYS A 1 3.315 -1.853 -2.135 1.00 0.00 O ATOM 5 CB LYS A 1 2.622 1.397 -1.541 1.00 0.00 C ATOM 6 CG LYS A 1 1.663 2.186 -2.434 1.00 0.00 C ATOM 7 CD LYS A 1 2.253 3.549 -2.803 1.00 0.00 C ATOM 8 CE LYS A 1 1.459 4.201 -3.937 1.00 0.00 C ATOM 9 NZ LYS A 1 1.764 5.647 -4.018 1.00 0.00 N ATOM 0 H1 LYS A 1 0.472 0.586 -0.107 1.00 0.00 H new ATOM 0 H2 LYS A 1 1.048 -0.974 0.239 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.918 0.388 0.761 1.00 0.00 H new ATOM 0 HA LYS A 1 1.419 -0.244 -2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 1 2.780 1.935 -0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 1 3.593 1.314 -2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 1 1.455 1.618 -3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 1 0.712 2.325 -1.919 1.00 0.00 H new ATOM 0 HD2 LYS A 1 2.247 4.200 -1.929 1.00 0.00 H new ATOM 0 HD3 LYS A 1 3.294 3.429 -3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 1 1.702 3.718 -4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 1 0.391 4.057 -3.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 1.217 6.074 -4.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 1.510 6.106 -3.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 2.780 5.778 -4.198 1.00 0.00 H new ATOM 23 N SER A 2 3.858 -1.113 -0.068 1.00 0.00 N ATOM 24 CA SER A 2 4.915 -2.091 0.126 1.00 0.00 C ATOM 25 C SER A 2 4.314 -3.437 0.535 1.00 0.00 C ATOM 26 O SER A 2 3.205 -3.491 1.065 1.00 0.00 O ATOM 27 CB SER A 2 5.919 -1.616 1.178 1.00 0.00 C ATOM 28 OG SER A 2 7.265 -1.759 0.734 1.00 0.00 O ATOM 0 H SER A 2 3.720 -0.474 0.715 1.00 0.00 H new ATOM 0 HA SER A 2 5.448 -2.210 -0.817 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.725 -0.570 1.418 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.778 -2.185 2.097 1.00 0.00 H new ATOM 0 HG SER A 2 7.875 -1.443 1.433 1.00 0.00 H new ATOM 34 N PRO A 3 5.092 -4.520 0.265 1.00 0.00 N ATOM 35 CA PRO A 3 4.648 -5.862 0.599 1.00 0.00 C ATOM 36 C PRO A 3 4.755 -6.116 2.104 1.00 0.00 C ATOM 37 O PRO A 3 3.893 -6.770 2.690 1.00 0.00 O ATOM 38 CB PRO A 3 5.533 -6.785 -0.223 1.00 0.00 C ATOM 39 CG PRO A 3 6.739 -5.954 -0.629 1.00 0.00 C ATOM 40 CD PRO A 3 6.410 -4.494 -0.362 1.00 0.00 C ATOM 0 HA PRO A 3 3.596 -6.028 0.365 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.836 -7.655 0.359 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.002 -7.157 -1.099 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.619 -6.257 -0.062 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.970 -6.107 -1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.151 -4.034 0.292 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.398 -3.915 -1.286 1.00 0.00 H new ATOM 48 N GLU A 4 5.821 -5.587 2.687 1.00 0.00 N ATOM 49 CA GLU A 4 6.052 -5.748 4.113 1.00 0.00 C ATOM 50 C GLU A 4 4.845 -5.244 4.906 1.00 0.00 C ATOM 51 O GLU A 4 4.507 -5.800 5.950 1.00 0.00 O ATOM 52 CB GLU A 4 7.332 -5.030 4.545 1.00 0.00 C ATOM 53 CG GLU A 4 8.216 -5.949 5.391 1.00 0.00 C ATOM 54 CD GLU A 4 8.094 -5.610 6.878 1.00 0.00 C ATOM 55 OE1 GLU A 4 7.974 -4.403 7.178 1.00 0.00 O ATOM 56 OE2 GLU A 4 8.123 -6.567 7.682 1.00 0.00 O ATOM 0 H GLU A 4 6.534 -5.046 2.198 1.00 0.00 H new ATOM 0 HA GLU A 4 6.182 -6.810 4.323 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.883 -4.699 3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.078 -4.137 5.116 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.929 -6.988 5.226 1.00 0.00 H new ATOM 0 HG3 GLU A 4 9.255 -5.851 5.076 1.00 0.00 H new ATOM 63 N GLU A 5 4.228 -4.195 4.381 1.00 0.00 N ATOM 64 CA GLU A 5 3.066 -3.610 5.028 1.00 0.00 C ATOM 65 C GLU A 5 1.884 -4.580 4.975 1.00 0.00 C ATOM 66 O GLU A 5 1.117 -4.682 5.932 1.00 0.00 O ATOM 67 CB GLU A 5 2.702 -2.267 4.390 1.00 0.00 C ATOM 68 CG GLU A 5 2.991 -1.109 5.347 1.00 0.00 C ATOM 69 CD GLU A 5 1.823 -0.121 5.379 1.00 0.00 C ATOM 70 OE1 GLU A 5 1.839 0.804 4.538 1.00 0.00 O ATOM 71 OE2 GLU A 5 0.941 -0.312 6.244 1.00 0.00 O ATOM 0 H GLU A 5 4.511 -3.736 3.515 1.00 0.00 H new ATOM 0 HA GLU A 5 3.312 -3.424 6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.269 -2.132 3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.647 -2.264 4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.172 -1.497 6.349 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.900 -0.594 5.036 1.00 0.00 H new ATOM 78 N LEU A 6 1.774 -5.268 3.848 1.00 0.00 N ATOM 79 CA LEU A 6 0.698 -6.226 3.659 1.00 0.00 C ATOM 80 C LEU A 6 0.732 -7.255 4.791 1.00 0.00 C ATOM 81 O LEU A 6 -0.311 -7.644 5.312 1.00 0.00 O ATOM 82 CB LEU A 6 0.773 -6.846 2.262 1.00 0.00 C ATOM 83 CG LEU A 6 0.036 -6.092 1.153 1.00 0.00 C ATOM 84 CD1 LEU A 6 0.314 -6.718 -0.214 1.00 0.00 C ATOM 85 CD2 LEU A 6 -1.463 -6.006 1.451 1.00 0.00 C ATOM 0 H LEU A 6 2.412 -5.181 3.057 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.270 -5.727 3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.822 -6.932 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.373 -7.859 2.314 1.00 0.00 H new ATOM 0 HG LEU A 6 0.417 -5.071 1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.222 -6.163 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.384 -6.683 -0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.022 -7.755 -0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.963 -5.465 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.878 -7.011 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.617 -5.480 2.393 1.00 0.00 H new ATOM 97 N LYS A 7 1.943 -7.666 5.137 1.00 0.00 N ATOM 98 CA LYS A 7 2.127 -8.642 6.198 1.00 0.00 C ATOM 99 C LYS A 7 1.693 -8.029 7.530 1.00 0.00 C ATOM 100 O LYS A 7 0.803 -8.554 8.198 1.00 0.00 O ATOM 101 CB LYS A 7 3.565 -9.166 6.201 1.00 0.00 C ATOM 102 CG LYS A 7 3.596 -10.683 6.395 1.00 0.00 C ATOM 103 CD LYS A 7 4.707 -11.320 5.558 1.00 0.00 C ATOM 104 CE LYS A 7 4.474 -11.081 4.065 1.00 0.00 C ATOM 105 NZ LYS A 7 5.716 -10.602 3.417 1.00 0.00 N ATOM 0 H LYS A 7 2.806 -7.341 4.702 1.00 0.00 H new ATOM 0 HA LYS A 7 1.495 -9.514 6.027 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.052 -8.906 5.261 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.130 -8.682 6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.751 -10.915 7.449 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.633 -11.109 6.113 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.671 -10.904 5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.748 -12.391 5.756 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.142 -12.004 3.590 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.679 -10.348 3.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.541 -10.445 2.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.016 -9.710 3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.465 -11.315 3.532 1.00 0.00 H new ATOM 119 N GLY A 8 2.341 -6.927 7.877 1.00 0.00 N ATOM 120 CA GLY A 8 2.033 -6.237 9.118 1.00 0.00 C ATOM 121 C GLY A 8 0.534 -5.951 9.229 1.00 0.00 C ATOM 122 O GLY A 8 -0.092 -6.283 10.235 1.00 0.00 O ATOM 0 H GLY A 8 3.078 -6.495 7.320 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.355 -6.843 9.965 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.590 -5.301 9.166 1.00 0.00 H new ATOM 126 N ILE A 9 0.002 -5.338 8.182 1.00 0.00 N ATOM 127 CA ILE A 9 -1.412 -5.004 8.149 1.00 0.00 C ATOM 128 C ILE A 9 -2.236 -6.265 8.420 1.00 0.00 C ATOM 129 O ILE A 9 -3.098 -6.271 9.297 1.00 0.00 O ATOM 130 CB ILE A 9 -1.767 -4.308 6.834 1.00 0.00 C ATOM 131 CG1 ILE A 9 -1.430 -2.816 6.895 1.00 0.00 C ATOM 132 CG2 ILE A 9 -3.232 -4.549 6.464 1.00 0.00 C ATOM 133 CD1 ILE A 9 -1.742 -2.129 5.564 1.00 0.00 C ATOM 0 H ILE A 9 0.525 -5.064 7.350 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.654 -4.290 8.936 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.158 -4.744 6.042 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.000 -2.343 7.695 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.375 -2.687 7.136 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.458 -4.043 5.525 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.408 -5.619 6.351 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.875 -4.157 7.252 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.494 -1.070 5.634 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.152 -2.588 4.771 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.803 -2.239 5.338 1.00 0.00 H new ATOM 145 N PHE A 10 -1.941 -7.302 7.650 1.00 0.00 N ATOM 146 CA PHE A 10 -2.644 -8.566 7.796 1.00 0.00 C ATOM 147 C PHE A 10 -2.647 -9.026 9.255 1.00 0.00 C ATOM 148 O PHE A 10 -3.705 -9.292 9.823 1.00 0.00 O ATOM 149 CB PHE A 10 -1.892 -9.595 6.950 1.00 0.00 C ATOM 150 CG PHE A 10 -2.078 -11.040 7.418 1.00 0.00 C ATOM 151 CD1 PHE A 10 -1.268 -11.552 8.383 1.00 0.00 C ATOM 152 CD2 PHE A 10 -3.054 -11.813 6.870 1.00 0.00 C ATOM 153 CE1 PHE A 10 -1.440 -12.893 8.817 1.00 0.00 C ATOM 154 CE2 PHE A 10 -3.226 -13.153 7.304 1.00 0.00 C ATOM 155 CZ PHE A 10 -2.416 -13.665 8.269 1.00 0.00 C ATOM 0 H PHE A 10 -1.225 -7.293 6.923 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.680 -8.455 7.476 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.225 -9.513 5.915 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.829 -9.354 6.963 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.494 -10.938 8.819 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.698 -11.407 6.104 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.796 -13.300 9.582 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.000 -13.766 6.868 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.548 -14.685 8.600 1.00 0.00 H new ATOM 165 N GLU A 11 -1.451 -9.106 9.819 1.00 0.00 N ATOM 166 CA GLU A 11 -1.303 -9.530 11.201 1.00 0.00 C ATOM 167 C GLU A 11 -2.020 -8.554 12.136 1.00 0.00 C ATOM 168 O GLU A 11 -2.665 -8.970 13.097 1.00 0.00 O ATOM 169 CB GLU A 11 0.174 -9.665 11.578 1.00 0.00 C ATOM 170 CG GLU A 11 0.520 -11.113 11.930 1.00 0.00 C ATOM 171 CD GLU A 11 1.510 -11.172 13.095 1.00 0.00 C ATOM 172 OE1 GLU A 11 2.713 -10.962 12.829 1.00 0.00 O ATOM 173 OE2 GLU A 11 1.041 -11.427 14.225 1.00 0.00 O ATOM 0 H GLU A 11 -0.576 -8.885 9.344 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.764 -10.512 11.310 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.797 -9.330 10.749 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.397 -9.018 12.426 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.389 -11.654 12.193 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.947 -11.611 11.059 1.00 0.00 H new ATOM 180 N LYS A 12 -1.882 -7.274 11.821 1.00 0.00 N ATOM 181 CA LYS A 12 -2.509 -6.235 12.621 1.00 0.00 C ATOM 182 C LYS A 12 -4.012 -6.504 12.711 1.00 0.00 C ATOM 183 O LYS A 12 -4.672 -6.053 13.646 1.00 0.00 O ATOM 184 CB LYS A 12 -2.164 -4.851 12.067 1.00 0.00 C ATOM 185 CG LYS A 12 -2.362 -3.770 13.132 1.00 0.00 C ATOM 186 CD LYS A 12 -3.071 -2.547 12.545 1.00 0.00 C ATOM 187 CE LYS A 12 -2.980 -1.352 13.496 1.00 0.00 C ATOM 188 NZ LYS A 12 -3.919 -0.287 13.081 1.00 0.00 N ATOM 0 H LYS A 12 -1.346 -6.933 11.023 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.120 -6.251 13.639 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.130 -4.841 11.721 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.792 -4.634 11.203 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.947 -4.172 13.959 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.395 -3.474 13.539 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.623 -2.288 11.586 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.117 -2.786 12.354 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.209 -1.671 14.513 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.962 -0.964 13.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.844 0.517 13.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.683 0.029 12.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.891 -0.656 13.095 1.00 0.00 H new ATOM 202 N TYR A 13 -4.510 -7.238 11.726 1.00 0.00 N ATOM 203 CA TYR A 13 -5.923 -7.572 11.682 1.00 0.00 C ATOM 204 C TYR A 13 -6.181 -8.948 12.300 1.00 0.00 C ATOM 205 O TYR A 13 -7.170 -9.141 13.005 1.00 0.00 O ATOM 206 CB TYR A 13 -6.301 -7.614 10.200 1.00 0.00 C ATOM 207 CG TYR A 13 -6.927 -6.318 9.681 1.00 0.00 C ATOM 208 CD1 TYR A 13 -8.246 -6.027 9.964 1.00 0.00 C ATOM 209 CD2 TYR A 13 -6.173 -5.439 8.930 1.00 0.00 C ATOM 210 CE1 TYR A 13 -8.836 -4.808 9.475 1.00 0.00 C ATOM 211 CE2 TYR A 13 -6.762 -4.220 8.442 1.00 0.00 C ATOM 212 CZ TYR A 13 -8.065 -3.964 8.738 1.00 0.00 C ATOM 213 OH TYR A 13 -8.621 -2.812 8.277 1.00 0.00 O ATOM 0 H TYR A 13 -3.960 -7.611 10.952 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.507 -6.842 12.242 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.409 -7.835 9.614 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.000 -8.434 10.037 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -8.836 -6.714 10.553 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.141 -5.666 8.709 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -9.867 -4.569 9.689 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.183 -3.524 7.854 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.913 -2.203 7.981 1.00 0.00 H new ATOM 223 N ALA A 14 -5.272 -9.869 12.015 1.00 0.00 N ATOM 224 CA ALA A 14 -5.388 -11.221 12.534 1.00 0.00 C ATOM 225 C ALA A 14 -5.195 -11.199 14.051 1.00 0.00 C ATOM 226 O ALA A 14 -5.579 -12.140 14.744 1.00 0.00 O ATOM 227 CB ALA A 14 -4.376 -12.127 11.830 1.00 0.00 C ATOM 0 H ALA A 14 -4.452 -9.705 11.431 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.381 -11.625 12.334 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.463 -13.141 12.219 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.575 -12.131 10.758 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.367 -11.755 12.010 1.00 0.00 H new ATOM 233 N ALA A 15 -4.599 -10.114 14.524 1.00 0.00 N ATOM 234 CA ALA A 15 -4.349 -9.956 15.946 1.00 0.00 C ATOM 235 C ALA A 15 -5.595 -9.373 16.617 1.00 0.00 C ATOM 236 O ALA A 15 -5.800 -9.552 17.816 1.00 0.00 O ATOM 237 CB ALA A 15 -3.111 -9.082 16.154 1.00 0.00 C ATOM 0 H ALA A 15 -4.282 -9.335 13.947 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.147 -10.922 16.409 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.924 -8.964 17.221 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.248 -9.555 15.685 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.277 -8.103 15.704 1.00 0.00 H new ATOM 243 N LYS A 16 -6.393 -8.686 15.813 1.00 0.00 N ATOM 244 CA LYS A 16 -7.613 -8.075 16.313 1.00 0.00 C ATOM 245 C LYS A 16 -8.454 -9.135 17.027 1.00 0.00 C ATOM 246 O LYS A 16 -8.643 -9.069 18.240 1.00 0.00 O ATOM 247 CB LYS A 16 -8.356 -7.359 15.183 1.00 0.00 C ATOM 248 CG LYS A 16 -8.387 -5.848 15.419 1.00 0.00 C ATOM 249 CD LYS A 16 -7.056 -5.204 15.026 1.00 0.00 C ATOM 250 CE LYS A 16 -6.956 -3.777 15.568 1.00 0.00 C ATOM 251 NZ LYS A 16 -6.673 -3.793 17.021 1.00 0.00 N ATOM 0 H LYS A 16 -6.219 -8.539 14.819 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.379 -7.305 17.048 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.870 -7.572 14.231 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.375 -7.741 15.113 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.196 -5.402 14.840 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.597 -5.645 16.469 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.231 -5.802 15.412 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.960 -5.192 13.940 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.167 -3.237 15.044 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.888 -3.244 15.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.392 -2.841 17.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.526 -4.087 17.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.902 -4.463 17.217 1.00 0.00 H new ATOM 265 N GLU A 17 -8.936 -10.089 16.243 1.00 0.00 N ATOM 266 CA GLU A 17 -9.752 -11.162 16.785 1.00 0.00 C ATOM 267 C GLU A 17 -9.049 -12.508 16.602 1.00 0.00 C ATOM 268 O GLU A 17 -8.607 -12.837 15.502 1.00 0.00 O ATOM 269 CB GLU A 17 -11.139 -11.175 16.140 1.00 0.00 C ATOM 270 CG GLU A 17 -12.040 -10.101 16.754 1.00 0.00 C ATOM 271 CD GLU A 17 -13.400 -10.684 17.144 1.00 0.00 C ATOM 272 OE1 GLU A 17 -13.973 -11.403 16.297 1.00 0.00 O ATOM 273 OE2 GLU A 17 -13.836 -10.397 18.280 1.00 0.00 O ATOM 0 H GLU A 17 -8.777 -10.141 15.237 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.886 -10.987 17.852 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.046 -11.007 15.067 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.596 -12.156 16.271 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.557 -9.675 17.634 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.180 -9.288 16.042 1.00 0.00 H new ATOM 280 N GLY A 18 -8.968 -13.251 17.696 1.00 0.00 N ATOM 281 CA GLY A 18 -8.326 -14.554 17.669 1.00 0.00 C ATOM 282 C GLY A 18 -6.830 -14.423 17.377 1.00 0.00 C ATOM 283 O GLY A 18 -6.323 -13.316 17.204 1.00 0.00 O ATOM 0 H GLY A 18 -9.336 -12.975 18.606 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.471 -15.054 18.626 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.795 -15.179 16.909 1.00 0.00 H new ATOM 287 N ASP A 19 -6.166 -15.569 17.330 1.00 0.00 N ATOM 288 CA ASP A 19 -4.738 -15.596 17.062 1.00 0.00 C ATOM 289 C ASP A 19 -4.470 -14.972 15.691 1.00 0.00 C ATOM 290 O ASP A 19 -5.216 -15.206 14.741 1.00 0.00 O ATOM 291 CB ASP A 19 -4.209 -17.031 17.040 1.00 0.00 C ATOM 292 CG ASP A 19 -2.743 -17.186 17.451 1.00 0.00 C ATOM 293 OD1 ASP A 19 -1.882 -16.973 16.570 1.00 0.00 O ATOM 294 OD2 ASP A 19 -2.517 -17.514 18.636 1.00 0.00 O ATOM 0 H ASP A 19 -6.591 -16.485 17.473 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.235 -15.039 17.853 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.823 -17.639 17.704 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.333 -17.433 16.034 1.00 0.00 H new ATOM 299 N PRO A 20 -3.374 -14.169 15.629 1.00 0.00 N ATOM 300 CA PRO A 20 -2.997 -13.510 14.390 1.00 0.00 C ATOM 301 C PRO A 20 -2.368 -14.503 13.410 1.00 0.00 C ATOM 302 O PRO A 20 -2.003 -14.133 12.295 1.00 0.00 O ATOM 303 CB PRO A 20 -2.044 -12.402 14.807 1.00 0.00 C ATOM 304 CG PRO A 20 -1.560 -12.772 16.200 1.00 0.00 C ATOM 305 CD PRO A 20 -2.467 -13.869 16.733 1.00 0.00 C ATOM 0 HA PRO A 20 -3.853 -13.099 13.855 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.209 -12.323 14.111 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.547 -11.435 14.812 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.526 -13.115 16.166 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.586 -11.902 16.857 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.894 -14.749 17.025 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.014 -13.537 17.616 1.00 0.00 H new ATOM 313 N ASN A 21 -2.261 -15.744 13.862 1.00 0.00 N ATOM 314 CA ASN A 21 -1.683 -16.792 13.039 1.00 0.00 C ATOM 315 C ASN A 21 -2.788 -17.458 12.217 1.00 0.00 C ATOM 316 O ASN A 21 -2.519 -18.357 11.421 1.00 0.00 O ATOM 317 CB ASN A 21 -1.023 -17.869 13.902 1.00 0.00 C ATOM 318 CG ASN A 21 0.200 -17.311 14.635 1.00 0.00 C ATOM 319 OD1 ASN A 21 0.917 -16.458 14.139 1.00 0.00 O ATOM 320 ND2 ASN A 21 0.396 -17.840 15.839 1.00 0.00 N ATOM 0 H ASN A 21 -2.565 -16.047 14.787 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.933 -16.337 12.393 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.742 -18.251 14.626 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.724 -18.709 13.276 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.186 -17.535 16.408 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.243 -18.551 16.194 1.00 0.00 H new ATOM 327 N GLN A 22 -4.008 -16.990 12.437 1.00 0.00 N ATOM 328 CA GLN A 22 -5.155 -17.529 11.726 1.00 0.00 C ATOM 329 C GLN A 22 -6.218 -16.445 11.534 1.00 0.00 C ATOM 330 O GLN A 22 -6.649 -15.816 12.500 1.00 0.00 O ATOM 331 CB GLN A 22 -5.734 -18.741 12.458 1.00 0.00 C ATOM 332 CG GLN A 22 -5.526 -18.620 13.969 1.00 0.00 C ATOM 333 CD GLN A 22 -6.727 -19.181 14.734 1.00 0.00 C ATOM 334 OE1 GLN A 22 -6.866 -18.686 15.960 1.00 0.00 O flip ATOM 335 NE2 GLN A 22 -7.476 -20.010 14.243 1.00 0.00 N flip ATOM 0 H GLN A 22 -4.227 -16.244 13.097 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.824 -17.864 10.743 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.798 -18.828 12.240 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.259 -19.652 12.094 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.622 -19.156 14.259 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.376 -17.574 14.237 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.311 -20.348 13.295 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.267 -20.365 14.781 1.00 0.00 H new ATOM 344 N LEU A 23 -6.610 -16.260 10.282 1.00 0.00 N ATOM 345 CA LEU A 23 -7.614 -15.263 9.952 1.00 0.00 C ATOM 346 C LEU A 23 -9.007 -15.852 10.185 1.00 0.00 C ATOM 347 O LEU A 23 -9.157 -17.065 10.321 1.00 0.00 O ATOM 348 CB LEU A 23 -7.399 -14.735 8.532 1.00 0.00 C ATOM 349 CG LEU A 23 -6.310 -13.673 8.370 1.00 0.00 C ATOM 350 CD1 LEU A 23 -6.858 -12.276 8.668 1.00 0.00 C ATOM 351 CD2 LEU A 23 -5.088 -14.005 9.228 1.00 0.00 C ATOM 0 H LEU A 23 -6.250 -16.784 9.484 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.520 -14.397 10.607 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.156 -15.578 7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.341 -14.319 8.174 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.983 -13.675 7.330 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.064 -11.540 8.546 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.672 -12.050 7.979 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.230 -12.242 9.692 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.329 -13.234 9.094 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.381 -14.048 10.277 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.682 -14.970 8.925 1.00 0.00 H new ATOM 363 N SER A 24 -9.991 -14.965 10.223 1.00 0.00 N ATOM 364 CA SER A 24 -11.366 -15.382 10.436 1.00 0.00 C ATOM 365 C SER A 24 -12.301 -14.594 9.516 1.00 0.00 C ATOM 366 O SER A 24 -11.907 -13.574 8.952 1.00 0.00 O ATOM 367 CB SER A 24 -11.778 -15.194 11.898 1.00 0.00 C ATOM 368 OG SER A 24 -10.849 -15.795 12.796 1.00 0.00 O ATOM 0 H SER A 24 -9.863 -13.959 10.110 1.00 0.00 H new ATOM 0 HA SER A 24 -11.442 -16.443 10.198 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.858 -14.129 12.118 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.766 -15.627 12.055 1.00 0.00 H new ATOM 0 HG SER A 24 -11.147 -15.652 13.719 1.00 0.00 H new ATOM 374 N LYS A 25 -13.520 -15.097 9.393 1.00 0.00 N ATOM 375 CA LYS A 25 -14.513 -14.453 8.550 1.00 0.00 C ATOM 376 C LYS A 25 -14.685 -12.999 8.992 1.00 0.00 C ATOM 377 O LYS A 25 -14.494 -12.078 8.199 1.00 0.00 O ATOM 378 CB LYS A 25 -15.817 -15.254 8.551 1.00 0.00 C ATOM 379 CG LYS A 25 -16.785 -14.728 7.489 1.00 0.00 C ATOM 380 CD LYS A 25 -18.235 -15.035 7.869 1.00 0.00 C ATOM 381 CE LYS A 25 -18.689 -16.366 7.268 1.00 0.00 C ATOM 382 NZ LYS A 25 -19.082 -17.311 8.337 1.00 0.00 N ATOM 0 H LYS A 25 -13.843 -15.943 9.863 1.00 0.00 H new ATOM 0 HA LYS A 25 -14.178 -14.434 7.513 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -15.602 -16.306 8.363 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -16.283 -15.195 9.534 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -16.655 -13.652 7.375 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -16.554 -15.181 6.525 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -18.331 -15.070 8.954 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -18.884 -14.233 7.518 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -19.530 -16.200 6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -17.884 -16.796 6.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -19.387 -18.209 7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -18.270 -17.483 8.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -19.865 -16.905 8.888 1.00 0.00 H new ATOM 396 N GLU A 26 -15.044 -12.837 10.258 1.00 0.00 N ATOM 397 CA GLU A 26 -15.243 -11.509 10.815 1.00 0.00 C ATOM 398 C GLU A 26 -13.967 -10.677 10.674 1.00 0.00 C ATOM 399 O GLU A 26 -14.024 -9.502 10.315 1.00 0.00 O ATOM 400 CB GLU A 26 -15.687 -11.590 12.277 1.00 0.00 C ATOM 401 CG GLU A 26 -17.060 -10.942 12.469 1.00 0.00 C ATOM 402 CD GLU A 26 -17.059 -10.004 13.678 1.00 0.00 C ATOM 403 OE1 GLU A 26 -16.717 -10.493 14.776 1.00 0.00 O ATOM 404 OE2 GLU A 26 -17.400 -8.818 13.476 1.00 0.00 O ATOM 0 H GLU A 26 -15.202 -13.603 10.913 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.037 -11.016 10.255 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.726 -12.633 12.592 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.954 -11.092 12.912 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -17.332 -10.385 11.572 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.816 -11.716 12.605 1.00 0.00 H new ATOM 411 N GLU A 27 -12.845 -11.320 10.963 1.00 0.00 N ATOM 412 CA GLU A 27 -11.556 -10.654 10.873 1.00 0.00 C ATOM 413 C GLU A 27 -11.313 -10.160 9.446 1.00 0.00 C ATOM 414 O GLU A 27 -11.105 -8.968 9.224 1.00 0.00 O ATOM 415 CB GLU A 27 -10.428 -11.578 11.334 1.00 0.00 C ATOM 416 CG GLU A 27 -10.126 -11.376 12.821 1.00 0.00 C ATOM 417 CD GLU A 27 -8.684 -11.772 13.146 1.00 0.00 C ATOM 418 OE1 GLU A 27 -8.216 -12.759 12.539 1.00 0.00 O ATOM 419 OE2 GLU A 27 -8.083 -11.079 13.995 1.00 0.00 O ATOM 0 H GLU A 27 -12.802 -12.295 11.260 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.567 -9.791 11.538 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.707 -12.616 11.154 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.530 -11.383 10.747 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.290 -10.333 13.091 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.814 -11.972 13.420 1.00 0.00 H new ATOM 426 N LEU A 28 -11.345 -11.102 8.515 1.00 0.00 N ATOM 427 CA LEU A 28 -11.130 -10.778 7.115 1.00 0.00 C ATOM 428 C LEU A 28 -12.091 -9.662 6.701 1.00 0.00 C ATOM 429 O LEU A 28 -11.682 -8.686 6.074 1.00 0.00 O ATOM 430 CB LEU A 28 -11.240 -12.036 6.250 1.00 0.00 C ATOM 431 CG LEU A 28 -10.414 -12.039 4.963 1.00 0.00 C ATOM 432 CD1 LEU A 28 -9.088 -11.302 5.160 1.00 0.00 C ATOM 433 CD2 LEU A 28 -10.206 -13.465 4.448 1.00 0.00 C ATOM 0 H LEU A 28 -11.517 -12.090 8.703 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.118 -10.402 6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.941 -12.894 6.852 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.288 -12.181 5.986 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.972 -11.498 4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.520 -11.319 4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.285 -10.269 5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.512 -11.792 5.945 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.616 -13.439 3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.680 -14.051 5.202 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.174 -13.923 4.243 1.00 0.00 H new ATOM 445 N LYS A 29 -13.351 -9.843 7.068 1.00 0.00 N ATOM 446 CA LYS A 29 -14.374 -8.863 6.742 1.00 0.00 C ATOM 447 C LYS A 29 -13.807 -7.456 6.941 1.00 0.00 C ATOM 448 O LYS A 29 -13.815 -6.644 6.017 1.00 0.00 O ATOM 449 CB LYS A 29 -15.648 -9.132 7.545 1.00 0.00 C ATOM 450 CG LYS A 29 -16.755 -8.146 7.164 1.00 0.00 C ATOM 451 CD LYS A 29 -18.126 -8.824 7.191 1.00 0.00 C ATOM 452 CE LYS A 29 -19.055 -8.224 6.134 1.00 0.00 C ATOM 453 NZ LYS A 29 -20.452 -8.654 6.366 1.00 0.00 N ATOM 0 H LYS A 29 -13.687 -10.654 7.588 1.00 0.00 H new ATOM 0 HA LYS A 29 -14.662 -8.946 5.694 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -15.987 -10.152 7.365 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.434 -9.050 8.611 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.749 -7.302 7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -16.563 -7.745 6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -18.010 -9.893 7.014 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -18.572 -8.711 8.179 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -18.994 -7.136 6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -18.733 -8.535 5.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -21.069 -8.237 5.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -20.509 -9.691 6.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -20.761 -8.336 7.307 1.00 0.00 H new ATOM 467 N LEU A 30 -13.329 -7.210 8.152 1.00 0.00 N ATOM 468 CA LEU A 30 -12.760 -5.915 8.483 1.00 0.00 C ATOM 469 C LEU A 30 -11.665 -5.570 7.472 1.00 0.00 C ATOM 470 O LEU A 30 -11.711 -4.518 6.836 1.00 0.00 O ATOM 471 CB LEU A 30 -12.282 -5.896 9.937 1.00 0.00 C ATOM 472 CG LEU A 30 -13.345 -6.194 10.996 1.00 0.00 C ATOM 473 CD1 LEU A 30 -12.924 -5.652 12.363 1.00 0.00 C ATOM 474 CD2 LEU A 30 -14.713 -5.662 10.565 1.00 0.00 C ATOM 0 H LEU A 30 -13.324 -7.886 8.916 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.519 -5.136 8.410 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.477 -6.623 10.044 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.855 -4.915 10.145 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.436 -7.276 11.093 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.697 -5.877 13.098 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.987 -6.119 12.667 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.787 -4.572 12.300 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -15.450 -5.887 11.336 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -14.655 -4.583 10.422 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.010 -6.136 9.630 1.00 0.00 H new ATOM 486 N LEU A 31 -10.706 -6.477 7.353 1.00 0.00 N ATOM 487 CA LEU A 31 -9.601 -6.282 6.430 1.00 0.00 C ATOM 488 C LEU A 31 -10.153 -5.899 5.055 1.00 0.00 C ATOM 489 O LEU A 31 -9.929 -4.786 4.580 1.00 0.00 O ATOM 490 CB LEU A 31 -8.697 -7.516 6.407 1.00 0.00 C ATOM 491 CG LEU A 31 -7.246 -7.277 5.985 1.00 0.00 C ATOM 492 CD1 LEU A 31 -6.275 -7.969 6.944 1.00 0.00 C ATOM 493 CD2 LEU A 31 -7.020 -7.703 4.533 1.00 0.00 C ATOM 0 H LEU A 31 -10.672 -7.349 7.881 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.969 -5.459 6.762 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.697 -7.960 7.402 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.135 -8.250 5.731 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.046 -6.207 6.041 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.251 -7.783 6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.415 -7.575 7.951 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.466 -9.042 6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.981 -7.523 4.258 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.245 -8.764 4.426 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.674 -7.126 3.879 1.00 0.00 H new ATOM 505 N LEU A 32 -10.865 -6.841 4.455 1.00 0.00 N ATOM 506 CA LEU A 32 -11.450 -6.617 3.144 1.00 0.00 C ATOM 507 C LEU A 32 -12.211 -5.289 3.151 1.00 0.00 C ATOM 508 O LEU A 32 -12.450 -4.701 2.098 1.00 0.00 O ATOM 509 CB LEU A 32 -12.307 -7.814 2.727 1.00 0.00 C ATOM 510 CG LEU A 32 -11.613 -9.178 2.758 1.00 0.00 C ATOM 511 CD1 LEU A 32 -12.637 -10.314 2.733 1.00 0.00 C ATOM 512 CD2 LEU A 32 -10.594 -9.300 1.624 1.00 0.00 C ATOM 0 H LEU A 32 -11.050 -7.762 4.853 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.669 -6.535 2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -13.179 -7.857 3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.674 -7.638 1.716 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.063 -9.261 3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.118 -11.272 2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.290 -10.234 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.234 -10.246 1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.115 -10.278 1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.101 -9.188 0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.839 -8.521 1.728 1.00 0.00 H new ATOM 524 N GLN A 33 -12.572 -4.857 4.351 1.00 0.00 N ATOM 525 CA GLN A 33 -13.301 -3.610 4.509 1.00 0.00 C ATOM 526 C GLN A 33 -12.394 -2.420 4.186 1.00 0.00 C ATOM 527 O GLN A 33 -12.784 -1.523 3.440 1.00 0.00 O ATOM 528 CB GLN A 33 -13.881 -3.489 5.919 1.00 0.00 C ATOM 529 CG GLN A 33 -15.327 -2.991 5.876 1.00 0.00 C ATOM 530 CD GLN A 33 -15.728 -2.355 7.209 1.00 0.00 C ATOM 531 OE1 GLN A 33 -15.978 -1.165 7.308 1.00 0.00 O ATOM 532 NE2 GLN A 33 -15.775 -3.212 8.225 1.00 0.00 N ATOM 0 H GLN A 33 -12.373 -5.348 5.222 1.00 0.00 H new ATOM 0 HA GLN A 33 -14.135 -3.608 3.807 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -13.841 -4.458 6.417 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -13.273 -2.802 6.508 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -15.441 -2.263 5.073 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -15.995 -3.822 5.650 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -15.554 -4.196 8.073 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -16.032 -2.885 9.156 1.00 0.00 H new ATOM 541 N THR A 34 -11.202 -2.452 4.762 1.00 0.00 N ATOM 542 CA THR A 34 -10.237 -1.388 4.545 1.00 0.00 C ATOM 543 C THR A 34 -9.195 -1.816 3.510 1.00 0.00 C ATOM 544 O THR A 34 -8.967 -1.114 2.526 1.00 0.00 O ATOM 545 CB THR A 34 -9.631 -1.015 5.899 1.00 0.00 C ATOM 546 OG1 THR A 34 -10.323 0.172 6.275 1.00 0.00 O ATOM 547 CG2 THR A 34 -8.170 -0.575 5.786 1.00 0.00 C ATOM 0 H THR A 34 -10.882 -3.198 5.379 1.00 0.00 H new ATOM 0 HA THR A 34 -10.714 -0.500 4.131 1.00 0.00 H new ATOM 0 HB THR A 34 -9.702 -1.867 6.575 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.993 0.482 7.144 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.789 -0.322 6.775 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.577 -1.387 5.366 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.102 0.298 5.137 1.00 0.00 H new ATOM 555 N GLU A 35 -8.589 -2.966 3.767 1.00 0.00 N ATOM 556 CA GLU A 35 -7.577 -3.496 2.870 1.00 0.00 C ATOM 557 C GLU A 35 -8.057 -3.413 1.420 1.00 0.00 C ATOM 558 O GLU A 35 -7.398 -2.805 0.578 1.00 0.00 O ATOM 559 CB GLU A 35 -7.210 -4.933 3.246 1.00 0.00 C ATOM 560 CG GLU A 35 -6.218 -5.525 2.243 1.00 0.00 C ATOM 561 CD GLU A 35 -4.784 -5.433 2.770 1.00 0.00 C ATOM 562 OE1 GLU A 35 -4.619 -5.599 3.998 1.00 0.00 O ATOM 563 OE2 GLU A 35 -3.886 -5.199 1.933 1.00 0.00 O ATOM 0 H GLU A 35 -8.780 -3.546 4.584 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.677 -2.889 2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.777 -4.952 4.246 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.111 -5.546 3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.471 -6.567 2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.295 -4.995 1.294 1.00 0.00 H new ATOM 570 N PHE A 36 -9.201 -4.034 1.173 1.00 0.00 N ATOM 571 CA PHE A 36 -9.777 -4.039 -0.161 1.00 0.00 C ATOM 572 C PHE A 36 -11.302 -4.136 -0.099 1.00 0.00 C ATOM 573 O PHE A 36 -11.860 -5.233 -0.123 1.00 0.00 O ATOM 574 CB PHE A 36 -9.228 -5.272 -0.881 1.00 0.00 C ATOM 575 CG PHE A 36 -7.731 -5.196 -1.192 1.00 0.00 C ATOM 576 CD1 PHE A 36 -7.229 -4.124 -1.862 1.00 0.00 C ATOM 577 CD2 PHE A 36 -6.903 -6.201 -0.798 1.00 0.00 C ATOM 578 CE1 PHE A 36 -5.841 -4.054 -2.150 1.00 0.00 C ATOM 579 CE2 PHE A 36 -5.515 -6.131 -1.087 1.00 0.00 C ATOM 580 CZ PHE A 36 -5.013 -5.059 -1.756 1.00 0.00 C ATOM 0 H PHE A 36 -9.745 -4.537 1.874 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.519 -3.116 -0.681 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.417 -6.153 -0.267 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.776 -5.410 -1.813 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.886 -3.326 -2.175 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.302 -7.052 -0.265 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.442 -3.203 -2.682 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.858 -6.929 -0.775 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.957 -5.005 -1.975 1.00 0.00 H new ATOM 590 N PRO A 37 -11.952 -2.944 -0.019 1.00 0.00 N ATOM 591 CA PRO A 37 -13.402 -2.885 0.046 1.00 0.00 C ATOM 592 C PRO A 37 -14.025 -3.172 -1.322 1.00 0.00 C ATOM 593 O PRO A 37 -15.241 -3.320 -1.436 1.00 0.00 O ATOM 594 CB PRO A 37 -13.716 -1.489 0.560 1.00 0.00 C ATOM 595 CG PRO A 37 -12.461 -0.665 0.323 1.00 0.00 C ATOM 596 CD PRO A 37 -11.325 -1.626 0.011 1.00 0.00 C ATOM 0 HA PRO A 37 -13.824 -3.643 0.706 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.569 -1.062 0.033 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.974 -1.512 1.619 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.611 0.030 -0.503 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.225 -0.067 1.203 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.857 -1.389 -0.944 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.544 -1.576 0.770 1.00 0.00 H new ATOM 604 N SER A 38 -13.163 -3.241 -2.326 1.00 0.00 N ATOM 605 CA SER A 38 -13.613 -3.507 -3.681 1.00 0.00 C ATOM 606 C SER A 38 -13.886 -5.002 -3.858 1.00 0.00 C ATOM 607 O SER A 38 -14.595 -5.403 -4.780 1.00 0.00 O ATOM 608 CB SER A 38 -12.583 -3.031 -4.708 1.00 0.00 C ATOM 609 OG SER A 38 -13.132 -2.075 -5.611 1.00 0.00 O ATOM 0 H SER A 38 -12.155 -3.117 -2.228 1.00 0.00 H new ATOM 0 HA SER A 38 -14.536 -2.953 -3.849 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.730 -2.592 -4.190 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.209 -3.887 -5.270 1.00 0.00 H new ATOM 0 HG SER A 38 -12.443 -1.795 -6.249 1.00 0.00 H new ATOM 615 N LEU A 39 -13.310 -5.787 -2.959 1.00 0.00 N ATOM 616 CA LEU A 39 -13.482 -7.229 -3.004 1.00 0.00 C ATOM 617 C LEU A 39 -14.924 -7.578 -2.630 1.00 0.00 C ATOM 618 O LEU A 39 -15.420 -8.645 -2.987 1.00 0.00 O ATOM 619 CB LEU A 39 -12.435 -7.921 -2.129 1.00 0.00 C ATOM 620 CG LEU A 39 -11.419 -8.797 -2.865 1.00 0.00 C ATOM 621 CD1 LEU A 39 -11.998 -10.182 -3.156 1.00 0.00 C ATOM 622 CD2 LEU A 39 -10.917 -8.106 -4.135 1.00 0.00 C ATOM 0 H LEU A 39 -12.724 -5.451 -2.195 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.315 -7.601 -4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.891 -7.156 -1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.954 -8.539 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.556 -8.940 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.255 -10.784 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.265 -10.669 -2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.887 -10.081 -3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.196 -8.750 -4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.758 -7.912 -4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.439 -7.163 -3.871 1.00 0.00 H new ATOM 634 N LEU A 40 -15.555 -6.658 -1.916 1.00 0.00 N ATOM 635 CA LEU A 40 -16.930 -6.855 -1.490 1.00 0.00 C ATOM 636 C LEU A 40 -17.864 -6.662 -2.687 1.00 0.00 C ATOM 637 O LEU A 40 -18.985 -7.168 -2.693 1.00 0.00 O ATOM 638 CB LEU A 40 -17.259 -5.948 -0.302 1.00 0.00 C ATOM 639 CG LEU A 40 -16.480 -6.222 0.986 1.00 0.00 C ATOM 640 CD1 LEU A 40 -16.619 -5.058 1.969 1.00 0.00 C ATOM 641 CD2 LEU A 40 -16.902 -7.553 1.610 1.00 0.00 C ATOM 0 H LEU A 40 -15.140 -5.774 -1.622 1.00 0.00 H new ATOM 0 HA LEU A 40 -17.075 -7.875 -1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -17.080 -4.915 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -18.324 -6.038 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 40 -15.423 -6.306 0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -16.056 -5.278 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -16.230 -4.148 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -17.670 -4.917 2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.333 -7.723 2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -17.966 -7.523 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -16.708 -8.362 0.906 1.00 0.00 H new ATOM 653 N LYS A 41 -17.366 -5.928 -3.672 1.00 0.00 N ATOM 654 CA LYS A 41 -18.141 -5.662 -4.872 1.00 0.00 C ATOM 655 C LYS A 41 -17.860 -6.752 -5.908 1.00 0.00 C ATOM 656 O LYS A 41 -17.504 -6.453 -7.047 1.00 0.00 O ATOM 657 CB LYS A 41 -17.871 -4.245 -5.381 1.00 0.00 C ATOM 658 CG LYS A 41 -18.250 -3.202 -4.327 1.00 0.00 C ATOM 659 CD LYS A 41 -18.682 -1.890 -4.985 1.00 0.00 C ATOM 660 CE LYS A 41 -20.113 -1.522 -4.586 1.00 0.00 C ATOM 661 NZ LYS A 41 -20.845 -0.960 -5.743 1.00 0.00 N ATOM 0 H LYS A 41 -16.436 -5.510 -3.663 1.00 0.00 H new ATOM 0 HA LYS A 41 -19.208 -5.699 -4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.817 -4.142 -5.637 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -18.440 -4.068 -6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.059 -3.585 -3.706 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -17.401 -3.020 -3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -18.002 -1.090 -4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -18.615 -1.983 -6.069 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -20.632 -2.406 -4.214 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -20.095 -0.797 -3.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -21.814 -0.716 -5.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -20.358 -0.105 -6.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.878 -1.664 -6.508 1.00 0.00 H new ATOM 675 N GLY A 42 -18.028 -7.993 -5.476 1.00 0.00 N ATOM 676 CA GLY A 42 -17.797 -9.129 -6.352 1.00 0.00 C ATOM 677 C GLY A 42 -18.938 -10.143 -6.248 1.00 0.00 C ATOM 678 O GLY A 42 -19.802 -10.023 -5.382 1.00 0.00 O ATOM 0 H GLY A 42 -18.322 -8.237 -4.530 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -17.704 -8.785 -7.382 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.854 -9.609 -6.090 1.00 0.00 H new ATOM 682 N MET A 43 -18.903 -11.118 -7.145 1.00 0.00 N ATOM 683 CA MET A 43 -19.924 -12.152 -7.165 1.00 0.00 C ATOM 684 C MET A 43 -19.717 -13.149 -6.023 1.00 0.00 C ATOM 685 O MET A 43 -20.545 -14.033 -5.809 1.00 0.00 O ATOM 686 CB MET A 43 -19.875 -12.891 -8.504 1.00 0.00 C ATOM 687 CG MET A 43 -20.130 -11.933 -9.669 1.00 0.00 C ATOM 688 SD MET A 43 -18.738 -11.946 -10.786 1.00 0.00 S ATOM 689 CE MET A 43 -19.165 -10.562 -11.829 1.00 0.00 C ATOM 0 H MET A 43 -18.184 -11.214 -7.862 1.00 0.00 H new ATOM 0 HA MET A 43 -20.897 -11.679 -7.036 1.00 0.00 H new ATOM 0 HB2 MET A 43 -18.902 -13.366 -8.626 1.00 0.00 H new ATOM 0 HB3 MET A 43 -20.621 -13.686 -8.512 1.00 0.00 H new ATOM 0 HG2 MET A 43 -21.036 -12.226 -10.200 1.00 0.00 H new ATOM 0 HG3 MET A 43 -20.294 -10.924 -9.291 1.00 0.00 H new ATOM 0 HE1 MET A 43 -18.395 -10.428 -12.589 1.00 0.00 H new ATOM 0 HE2 MET A 43 -20.123 -10.753 -12.313 1.00 0.00 H new ATOM 0 HE3 MET A 43 -19.238 -9.659 -11.223 1.00 0.00 H new ATOM 699 N SER A 44 -18.607 -12.973 -5.321 1.00 0.00 N ATOM 700 CA SER A 44 -18.281 -13.846 -4.206 1.00 0.00 C ATOM 701 C SER A 44 -18.644 -13.166 -2.884 1.00 0.00 C ATOM 702 O SER A 44 -17.886 -12.338 -2.380 1.00 0.00 O ATOM 703 CB SER A 44 -16.799 -14.225 -4.219 1.00 0.00 C ATOM 704 OG SER A 44 -15.991 -13.201 -4.792 1.00 0.00 O ATOM 0 H SER A 44 -17.922 -12.239 -5.503 1.00 0.00 H new ATOM 0 HA SER A 44 -18.864 -14.762 -4.307 1.00 0.00 H new ATOM 0 HB2 SER A 44 -16.466 -14.422 -3.200 1.00 0.00 H new ATOM 0 HB3 SER A 44 -16.666 -15.149 -4.782 1.00 0.00 H new ATOM 0 HG SER A 44 -15.052 -13.480 -4.780 1.00 0.00 H new ATOM 710 N THR A 45 -19.802 -13.540 -2.361 1.00 0.00 N ATOM 711 CA THR A 45 -20.274 -12.976 -1.108 1.00 0.00 C ATOM 712 C THR A 45 -19.275 -13.261 0.015 1.00 0.00 C ATOM 713 O THR A 45 -18.333 -14.030 -0.168 1.00 0.00 O ATOM 714 CB THR A 45 -21.672 -13.535 -0.835 1.00 0.00 C ATOM 715 OG1 THR A 45 -21.460 -14.935 -0.676 1.00 0.00 O ATOM 716 CG2 THR A 45 -22.592 -13.433 -2.053 1.00 0.00 C ATOM 0 H THR A 45 -20.428 -14.227 -2.782 1.00 0.00 H new ATOM 0 HA THR A 45 -20.348 -11.890 -1.166 1.00 0.00 H new ATOM 0 HB THR A 45 -22.120 -13.000 0.003 1.00 0.00 H new ATOM 0 HG1 THR A 45 -22.316 -15.377 -0.494 1.00 0.00 H new ATOM 0 HG21 THR A 45 -23.571 -13.844 -1.805 1.00 0.00 H new ATOM 0 HG22 THR A 45 -22.699 -12.387 -2.341 1.00 0.00 H new ATOM 0 HG23 THR A 45 -22.162 -13.995 -2.882 1.00 0.00 H new ATOM 724 N LEU A 46 -19.515 -12.625 1.153 1.00 0.00 N ATOM 725 CA LEU A 46 -18.648 -12.801 2.305 1.00 0.00 C ATOM 726 C LEU A 46 -18.454 -14.296 2.569 1.00 0.00 C ATOM 727 O LEU A 46 -17.343 -14.810 2.459 1.00 0.00 O ATOM 728 CB LEU A 46 -19.194 -12.030 3.509 1.00 0.00 C ATOM 729 CG LEU A 46 -18.157 -11.569 4.536 1.00 0.00 C ATOM 730 CD1 LEU A 46 -17.822 -12.692 5.519 1.00 0.00 C ATOM 731 CD2 LEU A 46 -16.908 -11.020 3.845 1.00 0.00 C ATOM 0 H LEU A 46 -20.297 -11.987 1.301 1.00 0.00 H new ATOM 0 HA LEU A 46 -17.662 -12.381 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -19.728 -11.153 3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -19.925 -12.659 4.017 1.00 0.00 H new ATOM 0 HG LEU A 46 -18.589 -10.753 5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -17.083 -12.338 6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -18.726 -12.995 6.047 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -17.418 -13.545 4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -16.187 -10.699 4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -16.463 -11.798 3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -17.182 -10.170 3.220 1.00 0.00 H new ATOM 743 N ASP A 47 -19.554 -14.951 2.912 1.00 0.00 N ATOM 744 CA ASP A 47 -19.519 -16.376 3.193 1.00 0.00 C ATOM 745 C ASP A 47 -18.693 -17.083 2.117 1.00 0.00 C ATOM 746 O ASP A 47 -17.799 -17.868 2.431 1.00 0.00 O ATOM 747 CB ASP A 47 -20.927 -16.975 3.177 1.00 0.00 C ATOM 748 CG ASP A 47 -21.644 -16.975 4.529 1.00 0.00 C ATOM 749 OD1 ASP A 47 -21.442 -15.996 5.279 1.00 0.00 O ATOM 750 OD2 ASP A 47 -22.380 -17.954 4.781 1.00 0.00 O ATOM 0 H ASP A 47 -20.475 -14.521 3.002 1.00 0.00 H new ATOM 0 HA ASP A 47 -19.079 -16.514 4.181 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -21.534 -16.421 2.461 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -20.865 -18.001 2.815 1.00 0.00 H new ATOM 755 N GLU A 48 -19.020 -16.780 0.869 1.00 0.00 N ATOM 756 CA GLU A 48 -18.319 -17.376 -0.255 1.00 0.00 C ATOM 757 C GLU A 48 -16.814 -17.134 -0.131 1.00 0.00 C ATOM 758 O GLU A 48 -16.016 -18.052 -0.317 1.00 0.00 O ATOM 759 CB GLU A 48 -18.854 -16.837 -1.583 1.00 0.00 C ATOM 760 CG GLU A 48 -19.623 -17.919 -2.344 1.00 0.00 C ATOM 761 CD GLU A 48 -19.539 -17.692 -3.855 1.00 0.00 C ATOM 762 OE1 GLU A 48 -18.404 -17.485 -4.335 1.00 0.00 O ATOM 763 OE2 GLU A 48 -20.612 -17.730 -4.495 1.00 0.00 O ATOM 0 H GLU A 48 -19.762 -16.129 0.612 1.00 0.00 H new ATOM 0 HA GLU A 48 -18.496 -18.451 -0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -19.507 -15.984 -1.397 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -18.026 -16.477 -2.193 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -19.217 -18.900 -2.097 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -20.667 -17.917 -2.030 1.00 0.00 H new ATOM 770 N LEU A 49 -16.470 -15.893 0.182 1.00 0.00 N ATOM 771 CA LEU A 49 -15.075 -15.518 0.333 1.00 0.00 C ATOM 772 C LEU A 49 -14.443 -16.359 1.444 1.00 0.00 C ATOM 773 O LEU A 49 -13.335 -16.871 1.286 1.00 0.00 O ATOM 774 CB LEU A 49 -14.946 -14.010 0.555 1.00 0.00 C ATOM 775 CG LEU A 49 -13.788 -13.322 -0.171 1.00 0.00 C ATOM 776 CD1 LEU A 49 -14.217 -12.846 -1.560 1.00 0.00 C ATOM 777 CD2 LEU A 49 -13.212 -12.182 0.672 1.00 0.00 C ATOM 0 H LEU A 49 -17.134 -15.134 0.335 1.00 0.00 H new ATOM 0 HA LEU A 49 -14.523 -15.730 -0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -15.877 -13.536 0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -14.838 -13.828 1.624 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.992 -14.053 -0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -13.375 -12.361 -2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -14.542 -13.701 -2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -15.039 -12.137 -1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.391 -11.710 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -13.990 -11.444 0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.844 -12.579 1.618 1.00 0.00 H new ATOM 789 N PHE A 50 -15.173 -16.476 2.543 1.00 0.00 N ATOM 790 CA PHE A 50 -14.698 -17.246 3.680 1.00 0.00 C ATOM 791 C PHE A 50 -14.439 -18.701 3.286 1.00 0.00 C ATOM 792 O PHE A 50 -13.359 -19.234 3.539 1.00 0.00 O ATOM 793 CB PHE A 50 -15.800 -17.205 4.740 1.00 0.00 C ATOM 794 CG PHE A 50 -15.363 -17.722 6.112 1.00 0.00 C ATOM 795 CD1 PHE A 50 -14.204 -17.278 6.668 1.00 0.00 C ATOM 796 CD2 PHE A 50 -16.133 -18.625 6.775 1.00 0.00 C ATOM 797 CE1 PHE A 50 -13.798 -17.758 7.942 1.00 0.00 C ATOM 798 CE2 PHE A 50 -15.728 -19.106 8.049 1.00 0.00 C ATOM 799 CZ PHE A 50 -14.569 -18.662 8.605 1.00 0.00 C ATOM 0 H PHE A 50 -16.091 -16.050 2.670 1.00 0.00 H new ATOM 0 HA PHE A 50 -13.763 -16.826 4.050 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -16.151 -16.178 4.845 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -16.646 -17.797 4.393 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -13.592 -16.561 6.141 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -17.053 -18.977 6.333 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -12.878 -17.405 8.384 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -16.340 -19.824 8.575 1.00 0.00 H new ATOM 0 HZ PHE A 50 -14.260 -19.027 9.573 1.00 0.00 H new ATOM 809 N GLU A 51 -15.447 -19.304 2.673 1.00 0.00 N ATOM 810 CA GLU A 51 -15.342 -20.687 2.242 1.00 0.00 C ATOM 811 C GLU A 51 -14.316 -20.816 1.115 1.00 0.00 C ATOM 812 O GLU A 51 -13.511 -21.746 1.107 1.00 0.00 O ATOM 813 CB GLU A 51 -16.705 -21.231 1.808 1.00 0.00 C ATOM 814 CG GLU A 51 -17.178 -22.341 2.749 1.00 0.00 C ATOM 815 CD GLU A 51 -17.838 -23.478 1.967 1.00 0.00 C ATOM 816 OE1 GLU A 51 -17.084 -24.225 1.306 1.00 0.00 O ATOM 817 OE2 GLU A 51 -19.081 -23.575 2.047 1.00 0.00 O ATOM 0 H GLU A 51 -16.341 -18.859 2.465 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.001 -21.285 3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -17.436 -20.423 1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -16.640 -21.616 0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -16.331 -22.728 3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -17.885 -21.933 3.472 1.00 0.00 H new ATOM 824 N GLU A 52 -14.377 -19.868 0.191 1.00 0.00 N ATOM 825 CA GLU A 52 -13.463 -19.864 -0.938 1.00 0.00 C ATOM 826 C GLU A 52 -12.018 -19.742 -0.450 1.00 0.00 C ATOM 827 O GLU A 52 -11.178 -20.582 -0.771 1.00 0.00 O ATOM 828 CB GLU A 52 -13.807 -18.740 -1.918 1.00 0.00 C ATOM 829 CG GLU A 52 -13.086 -18.937 -3.253 1.00 0.00 C ATOM 830 CD GLU A 52 -12.572 -17.604 -3.800 1.00 0.00 C ATOM 831 OE1 GLU A 52 -11.804 -16.947 -3.064 1.00 0.00 O ATOM 832 OE2 GLU A 52 -12.958 -17.272 -4.941 1.00 0.00 O ATOM 0 H GLU A 52 -15.045 -19.098 0.202 1.00 0.00 H new ATOM 0 HA GLU A 52 -13.568 -20.810 -1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.884 -18.713 -2.083 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -13.527 -17.779 -1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -12.252 -19.626 -3.122 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.765 -19.392 -3.974 1.00 0.00 H new ATOM 839 N LEU A 53 -11.772 -18.690 0.317 1.00 0.00 N ATOM 840 CA LEU A 53 -10.443 -18.448 0.852 1.00 0.00 C ATOM 841 C LEU A 53 -9.986 -19.674 1.646 1.00 0.00 C ATOM 842 O LEU A 53 -8.892 -20.191 1.422 1.00 0.00 O ATOM 843 CB LEU A 53 -10.419 -17.149 1.660 1.00 0.00 C ATOM 844 CG LEU A 53 -10.834 -15.883 0.907 1.00 0.00 C ATOM 845 CD1 LEU A 53 -11.460 -14.861 1.858 1.00 0.00 C ATOM 846 CD2 LEU A 53 -9.654 -15.296 0.130 1.00 0.00 C ATOM 0 H LEU A 53 -12.471 -17.995 0.581 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.727 -18.307 0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.077 -17.268 2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.410 -17.004 2.047 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.597 -16.153 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.746 -13.971 1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.343 -15.294 2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.737 -14.589 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.976 -14.397 -0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.852 -15.043 0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.293 -16.029 -0.591 1.00 0.00 H new ATOM 858 N ASP A 54 -10.847 -20.105 2.556 1.00 0.00 N ATOM 859 CA ASP A 54 -10.546 -21.260 3.384 1.00 0.00 C ATOM 860 C ASP A 54 -10.693 -22.533 2.548 1.00 0.00 C ATOM 861 O ASP A 54 -11.787 -23.086 2.439 1.00 0.00 O ATOM 862 CB ASP A 54 -11.511 -21.357 4.567 1.00 0.00 C ATOM 863 CG ASP A 54 -10.982 -22.138 5.771 1.00 0.00 C ATOM 864 OD1 ASP A 54 -9.779 -21.975 6.069 1.00 0.00 O ATOM 865 OD2 ASP A 54 -11.792 -22.880 6.367 1.00 0.00 O ATOM 0 H ASP A 54 -11.754 -19.675 2.738 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.528 -21.151 3.758 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.767 -20.348 4.891 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.434 -21.826 4.226 1.00 0.00 H new ATOM 870 N LYS A 55 -9.576 -22.962 1.979 1.00 0.00 N ATOM 871 CA LYS A 55 -9.566 -24.159 1.156 1.00 0.00 C ATOM 872 C LYS A 55 -8.745 -25.246 1.854 1.00 0.00 C ATOM 873 O LYS A 55 -8.695 -26.384 1.390 1.00 0.00 O ATOM 874 CB LYS A 55 -9.081 -23.834 -0.258 1.00 0.00 C ATOM 875 CG LYS A 55 -9.790 -24.707 -1.295 1.00 0.00 C ATOM 876 CD LYS A 55 -8.823 -25.721 -1.911 1.00 0.00 C ATOM 877 CE LYS A 55 -9.531 -27.046 -2.202 1.00 0.00 C ATOM 878 NZ LYS A 55 -8.654 -27.940 -2.991 1.00 0.00 N ATOM 0 H LYS A 55 -8.671 -22.501 2.072 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.577 -24.549 1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.265 -22.782 -0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.004 -23.990 -0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.623 -25.231 -0.826 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.211 -24.078 -2.079 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.406 -25.317 -2.833 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.988 -25.892 -1.232 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.807 -27.531 -1.266 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.455 -26.859 -2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.150 -28.835 -3.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.412 -27.482 -3.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.783 -28.133 -2.456 1.00 0.00 H new ATOM 892 N ASN A 56 -8.123 -24.856 2.956 1.00 0.00 N ATOM 893 CA ASN A 56 -7.307 -25.782 3.722 1.00 0.00 C ATOM 894 C ASN A 56 -8.184 -26.497 4.752 1.00 0.00 C ATOM 895 O ASN A 56 -7.679 -27.227 5.603 1.00 0.00 O ATOM 896 CB ASN A 56 -6.198 -25.046 4.476 1.00 0.00 C ATOM 897 CG ASN A 56 -6.781 -23.983 5.409 1.00 0.00 C ATOM 898 OD1 ASN A 56 -7.962 -23.970 5.715 1.00 0.00 O ATOM 899 ND2 ASN A 56 -5.890 -23.097 5.843 1.00 0.00 N ATOM 0 H ASN A 56 -8.168 -23.911 3.337 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.860 -26.492 3.026 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.611 -25.760 5.054 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.519 -24.577 3.764 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.180 -22.348 6.472 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.916 -23.166 5.547 1.00 0.00 H new ATOM 906 N GLY A 57 -9.483 -26.262 4.640 1.00 0.00 N ATOM 907 CA GLY A 57 -10.436 -26.874 5.551 1.00 0.00 C ATOM 908 C GLY A 57 -9.859 -26.970 6.965 1.00 0.00 C ATOM 909 O GLY A 57 -9.564 -28.064 7.446 1.00 0.00 O ATOM 0 H GLY A 57 -9.898 -25.656 3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -11.355 -26.289 5.568 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.699 -27.870 5.193 1.00 0.00 H new ATOM 913 N ASP A 58 -9.714 -25.811 7.590 1.00 0.00 N ATOM 914 CA ASP A 58 -9.177 -25.751 8.939 1.00 0.00 C ATOM 915 C ASP A 58 -9.983 -24.743 9.760 1.00 0.00 C ATOM 916 O ASP A 58 -10.409 -25.042 10.874 1.00 0.00 O ATOM 917 CB ASP A 58 -7.717 -25.295 8.931 1.00 0.00 C ATOM 918 CG ASP A 58 -6.756 -26.212 8.172 1.00 0.00 C ATOM 919 OD1 ASP A 58 -6.838 -27.437 8.406 1.00 0.00 O ATOM 920 OD2 ASP A 58 -5.963 -25.668 7.374 1.00 0.00 O ATOM 0 H ASP A 58 -9.959 -24.906 7.188 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.240 -26.749 9.372 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.666 -24.298 8.493 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.374 -25.208 9.962 1.00 0.00 H new ATOM 925 N GLY A 59 -10.168 -23.567 9.177 1.00 0.00 N ATOM 926 CA GLY A 59 -10.916 -22.512 9.840 1.00 0.00 C ATOM 927 C GLY A 59 -10.037 -21.283 10.077 1.00 0.00 C ATOM 928 O GLY A 59 -10.223 -20.561 11.056 1.00 0.00 O ATOM 0 H GLY A 59 -9.813 -23.322 8.253 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.778 -22.235 9.233 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.301 -22.877 10.792 1.00 0.00 H new ATOM 932 N GLU A 60 -9.097 -21.082 9.165 1.00 0.00 N ATOM 933 CA GLU A 60 -8.188 -19.953 9.263 1.00 0.00 C ATOM 934 C GLU A 60 -7.683 -19.556 7.874 1.00 0.00 C ATOM 935 O GLU A 60 -7.163 -20.392 7.137 1.00 0.00 O ATOM 936 CB GLU A 60 -7.022 -20.267 10.201 1.00 0.00 C ATOM 937 CG GLU A 60 -6.257 -21.505 9.730 1.00 0.00 C ATOM 938 CD GLU A 60 -5.901 -22.413 10.910 1.00 0.00 C ATOM 939 OE1 GLU A 60 -6.845 -22.801 11.631 1.00 0.00 O ATOM 940 OE2 GLU A 60 -4.694 -22.697 11.063 1.00 0.00 O ATOM 0 H GLU A 60 -8.945 -21.682 8.354 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.733 -19.109 9.685 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.346 -19.413 10.245 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.397 -20.430 11.211 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.861 -22.058 9.011 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.347 -21.200 9.214 1.00 0.00 H new ATOM 947 N VAL A 61 -7.854 -18.281 7.559 1.00 0.00 N ATOM 948 CA VAL A 61 -7.422 -17.763 6.272 1.00 0.00 C ATOM 949 C VAL A 61 -6.048 -17.108 6.425 1.00 0.00 C ATOM 950 O VAL A 61 -5.878 -15.932 6.108 1.00 0.00 O ATOM 951 CB VAL A 61 -8.479 -16.811 5.709 1.00 0.00 C ATOM 952 CG1 VAL A 61 -7.949 -16.067 4.481 1.00 0.00 C ATOM 953 CG2 VAL A 61 -9.772 -17.559 5.381 1.00 0.00 C ATOM 0 H VAL A 61 -8.286 -17.591 8.173 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.317 -18.573 5.551 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.706 -16.071 6.477 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -8.720 -15.397 4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.069 -15.487 4.759 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.680 -16.787 3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.506 -16.859 4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.567 -18.331 4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.165 -18.021 6.287 1.00 0.00 H new ATOM 963 N SER A 62 -5.102 -17.898 6.912 1.00 0.00 N ATOM 964 CA SER A 62 -3.748 -17.409 7.112 1.00 0.00 C ATOM 965 C SER A 62 -3.257 -16.700 5.849 1.00 0.00 C ATOM 966 O SER A 62 -3.869 -16.817 4.789 1.00 0.00 O ATOM 967 CB SER A 62 -2.800 -18.551 7.483 1.00 0.00 C ATOM 968 OG SER A 62 -3.492 -19.785 7.658 1.00 0.00 O ATOM 0 H SER A 62 -5.246 -18.873 7.174 1.00 0.00 H new ATOM 0 HA SER A 62 -3.758 -16.699 7.939 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.047 -18.665 6.703 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.271 -18.299 8.402 1.00 0.00 H new ATOM 0 HG SER A 62 -3.473 -20.293 6.820 1.00 0.00 H new ATOM 974 N PHE A 63 -2.156 -15.979 6.004 1.00 0.00 N ATOM 975 CA PHE A 63 -1.575 -15.250 4.890 1.00 0.00 C ATOM 976 C PHE A 63 -1.439 -16.149 3.658 1.00 0.00 C ATOM 977 O PHE A 63 -1.574 -15.683 2.528 1.00 0.00 O ATOM 978 CB PHE A 63 -0.182 -14.795 5.330 1.00 0.00 C ATOM 979 CG PHE A 63 0.513 -13.866 4.332 1.00 0.00 C ATOM 980 CD1 PHE A 63 -0.040 -12.662 4.026 1.00 0.00 C ATOM 981 CD2 PHE A 63 1.683 -14.245 3.752 1.00 0.00 C ATOM 982 CE1 PHE A 63 0.606 -11.800 3.100 1.00 0.00 C ATOM 983 CE2 PHE A 63 2.329 -13.383 2.827 1.00 0.00 C ATOM 984 CZ PHE A 63 1.776 -12.178 2.520 1.00 0.00 C ATOM 0 H PHE A 63 -1.651 -15.884 6.885 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.213 -14.407 4.624 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.264 -14.285 6.290 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.443 -15.674 5.489 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.969 -12.361 4.487 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.121 -15.202 3.995 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.167 -10.844 2.857 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.259 -13.683 2.367 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.266 -11.522 1.816 1.00 0.00 H new ATOM 994 N GLU A 64 -1.174 -17.420 3.920 1.00 0.00 N ATOM 995 CA GLU A 64 -1.019 -18.388 2.847 1.00 0.00 C ATOM 996 C GLU A 64 -2.218 -18.326 1.898 1.00 0.00 C ATOM 997 O GLU A 64 -2.050 -18.173 0.689 1.00 0.00 O ATOM 998 CB GLU A 64 -0.834 -19.801 3.405 1.00 0.00 C ATOM 999 CG GLU A 64 -1.699 -20.016 4.649 1.00 0.00 C ATOM 1000 CD GLU A 64 -2.535 -21.290 4.522 1.00 0.00 C ATOM 1001 OE1 GLU A 64 -2.139 -22.150 3.706 1.00 0.00 O ATOM 1002 OE2 GLU A 64 -3.552 -21.376 5.244 1.00 0.00 O ATOM 0 H GLU A 64 -1.063 -17.802 4.859 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.121 -18.135 2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.098 -20.534 2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.215 -19.963 3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.063 -20.081 5.532 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.356 -19.158 4.792 1.00 0.00 H new ATOM 1009 N GLU A 65 -3.401 -18.448 2.482 1.00 0.00 N ATOM 1010 CA GLU A 65 -4.627 -18.407 1.704 1.00 0.00 C ATOM 1011 C GLU A 65 -4.885 -16.988 1.193 1.00 0.00 C ATOM 1012 O GLU A 65 -5.519 -16.803 0.156 1.00 0.00 O ATOM 1013 CB GLU A 65 -5.814 -18.919 2.523 1.00 0.00 C ATOM 1014 CG GLU A 65 -5.617 -20.385 2.914 1.00 0.00 C ATOM 1015 CD GLU A 65 -6.926 -20.998 3.418 1.00 0.00 C ATOM 1016 OE1 GLU A 65 -7.544 -20.368 4.303 1.00 0.00 O ATOM 1017 OE2 GLU A 65 -7.278 -22.083 2.906 1.00 0.00 O ATOM 0 H GLU A 65 -3.536 -18.575 3.485 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.510 -19.066 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.930 -18.312 3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.732 -18.813 1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.254 -20.949 2.055 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.854 -20.459 3.689 1.00 0.00 H new ATOM 1024 N PHE A 66 -4.380 -16.022 1.946 1.00 0.00 N ATOM 1025 CA PHE A 66 -4.548 -14.625 1.583 1.00 0.00 C ATOM 1026 C PHE A 66 -3.947 -14.340 0.205 1.00 0.00 C ATOM 1027 O PHE A 66 -4.503 -13.564 -0.570 1.00 0.00 O ATOM 1028 CB PHE A 66 -3.803 -13.797 2.632 1.00 0.00 C ATOM 1029 CG PHE A 66 -4.260 -12.339 2.713 1.00 0.00 C ATOM 1030 CD1 PHE A 66 -5.553 -12.047 3.016 1.00 0.00 C ATOM 1031 CD2 PHE A 66 -3.372 -11.335 2.483 1.00 0.00 C ATOM 1032 CE1 PHE A 66 -5.976 -10.694 3.091 1.00 0.00 C ATOM 1033 CE2 PHE A 66 -3.795 -9.981 2.558 1.00 0.00 C ATOM 1034 CZ PHE A 66 -5.088 -9.689 2.861 1.00 0.00 C ATOM 0 H PHE A 66 -3.854 -16.179 2.806 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.608 -14.376 1.546 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.935 -14.263 3.608 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.736 -13.821 2.409 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.258 -12.844 3.200 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.345 -11.567 2.243 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.003 -10.462 3.331 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.090 -9.184 2.374 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.410 -8.660 2.919 1.00 0.00 H new ATOM 1044 N GLN A 67 -2.820 -14.985 -0.058 1.00 0.00 N ATOM 1045 CA GLN A 67 -2.137 -14.811 -1.328 1.00 0.00 C ATOM 1046 C GLN A 67 -3.043 -15.248 -2.482 1.00 0.00 C ATOM 1047 O GLN A 67 -2.761 -14.954 -3.642 1.00 0.00 O ATOM 1048 CB GLN A 67 -0.814 -15.578 -1.350 1.00 0.00 C ATOM 1049 CG GLN A 67 0.035 -15.241 -0.122 1.00 0.00 C ATOM 1050 CD GLN A 67 1.516 -15.525 -0.385 1.00 0.00 C ATOM 1051 OE1 GLN A 67 1.900 -16.595 -0.826 1.00 0.00 O ATOM 1052 NE2 GLN A 67 2.322 -14.509 -0.090 1.00 0.00 N ATOM 0 H GLN A 67 -2.363 -15.629 0.587 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.907 -13.753 -1.452 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.011 -16.650 -1.377 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.262 -15.332 -2.257 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.097 -14.191 0.139 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.305 -15.827 0.732 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.934 -13.640 0.276 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.328 -14.599 -0.230 1.00 0.00 H new ATOM 1061 N VAL A 68 -4.112 -15.942 -2.122 1.00 0.00 N ATOM 1062 CA VAL A 68 -5.061 -16.423 -3.112 1.00 0.00 C ATOM 1063 C VAL A 68 -5.959 -15.266 -3.554 1.00 0.00 C ATOM 1064 O VAL A 68 -6.306 -15.159 -4.730 1.00 0.00 O ATOM 1065 CB VAL A 68 -5.847 -17.609 -2.551 1.00 0.00 C ATOM 1066 CG1 VAL A 68 -6.734 -18.237 -3.628 1.00 0.00 C ATOM 1067 CG2 VAL A 68 -4.907 -18.650 -1.939 1.00 0.00 C ATOM 0 H VAL A 68 -4.342 -16.183 -1.158 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.539 -16.787 -3.997 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.495 -17.236 -1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.282 -19.078 -3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.440 -17.493 -3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.113 -18.588 -4.452 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.492 -19.483 -1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.222 -19.016 -2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.337 -18.194 -1.129 1.00 0.00 H new ATOM 1077 N LEU A 69 -6.310 -14.429 -2.589 1.00 0.00 N ATOM 1078 CA LEU A 69 -7.161 -13.284 -2.865 1.00 0.00 C ATOM 1079 C LEU A 69 -6.346 -12.209 -3.587 1.00 0.00 C ATOM 1080 O LEU A 69 -6.883 -11.459 -4.400 1.00 0.00 O ATOM 1081 CB LEU A 69 -7.827 -12.790 -1.579 1.00 0.00 C ATOM 1082 CG LEU A 69 -9.222 -12.181 -1.737 1.00 0.00 C ATOM 1083 CD1 LEU A 69 -10.189 -13.183 -2.371 1.00 0.00 C ATOM 1084 CD2 LEU A 69 -9.743 -11.648 -0.401 1.00 0.00 C ATOM 0 H LEU A 69 -6.021 -14.521 -1.615 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.976 -13.567 -3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.894 -13.627 -0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.177 -12.045 -1.120 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.148 -11.331 -2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.173 -12.725 -2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.820 -13.472 -3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.264 -14.067 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.736 -11.221 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.798 -12.464 0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.067 -10.879 -0.027 1.00 0.00 H new ATOM 1096 N VAL A 70 -5.062 -12.169 -3.262 1.00 0.00 N ATOM 1097 CA VAL A 70 -4.167 -11.199 -3.870 1.00 0.00 C ATOM 1098 C VAL A 70 -4.283 -11.288 -5.393 1.00 0.00 C ATOM 1099 O VAL A 70 -3.941 -10.342 -6.101 1.00 0.00 O ATOM 1100 CB VAL A 70 -2.739 -11.417 -3.366 1.00 0.00 C ATOM 1101 CG1 VAL A 70 -1.714 -10.935 -4.395 1.00 0.00 C ATOM 1102 CG2 VAL A 70 -2.523 -10.730 -2.015 1.00 0.00 C ATOM 0 H VAL A 70 -4.620 -12.792 -2.586 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.449 -10.186 -3.581 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.594 -12.488 -3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.707 -11.102 -4.011 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.844 -11.488 -5.325 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.859 -9.871 -4.583 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.500 -10.901 -1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.697 -9.659 -2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.218 -11.141 -1.283 1.00 0.00 H new ATOM 1112 N LYS A 71 -4.766 -12.433 -5.852 1.00 0.00 N ATOM 1113 CA LYS A 71 -4.932 -12.657 -7.278 1.00 0.00 C ATOM 1114 C LYS A 71 -6.065 -11.772 -7.801 1.00 0.00 C ATOM 1115 O LYS A 71 -5.909 -11.093 -8.815 1.00 0.00 O ATOM 1116 CB LYS A 71 -5.132 -14.147 -7.566 1.00 0.00 C ATOM 1117 CG LYS A 71 -4.277 -14.596 -8.752 1.00 0.00 C ATOM 1118 CD LYS A 71 -5.127 -15.316 -9.800 1.00 0.00 C ATOM 1119 CE LYS A 71 -4.291 -16.331 -10.582 1.00 0.00 C ATOM 1120 NZ LYS A 71 -5.047 -16.838 -11.748 1.00 0.00 N ATOM 0 H LYS A 71 -5.048 -13.216 -5.262 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.029 -12.370 -7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.870 -14.730 -6.683 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.183 -14.342 -7.777 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.793 -13.730 -9.204 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.485 -15.259 -8.403 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.959 -15.824 -9.312 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.557 -14.588 -10.487 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.364 -15.866 -10.917 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.015 -17.161 -9.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.464 -17.526 -12.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.920 -17.300 -11.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.289 -16.045 -12.376 1.00 0.00 H new ATOM 1134 N LYS A 72 -7.180 -11.808 -7.086 1.00 0.00 N ATOM 1135 CA LYS A 72 -8.338 -11.017 -7.465 1.00 0.00 C ATOM 1136 C LYS A 72 -8.036 -9.535 -7.236 1.00 0.00 C ATOM 1137 O LYS A 72 -8.494 -8.680 -7.992 1.00 0.00 O ATOM 1138 CB LYS A 72 -9.587 -11.510 -6.732 1.00 0.00 C ATOM 1139 CG LYS A 72 -9.903 -12.961 -7.103 1.00 0.00 C ATOM 1140 CD LYS A 72 -9.123 -13.936 -6.219 1.00 0.00 C ATOM 1141 CE LYS A 72 -9.849 -15.278 -6.110 1.00 0.00 C ATOM 1142 NZ LYS A 72 -10.081 -15.628 -4.691 1.00 0.00 N ATOM 0 H LYS A 72 -7.306 -12.373 -6.246 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.551 -11.139 -8.527 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.436 -11.431 -5.655 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.436 -10.874 -6.983 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.972 -13.143 -6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.654 -13.135 -8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.126 -14.090 -6.633 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.993 -13.507 -5.225 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.801 -15.227 -6.638 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.259 -16.058 -6.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.286 -16.645 -4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.232 -15.403 -4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.888 -15.083 -4.326 1.00 0.00 H new ATOM 1156 N ILE A 73 -7.266 -9.276 -6.189 1.00 0.00 N ATOM 1157 CA ILE A 73 -6.897 -7.912 -5.851 1.00 0.00 C ATOM 1158 C ILE A 73 -5.838 -7.415 -6.837 1.00 0.00 C ATOM 1159 O ILE A 73 -5.506 -6.230 -6.853 1.00 0.00 O ATOM 1160 CB ILE A 73 -6.464 -7.822 -4.386 1.00 0.00 C ATOM 1161 CG1 ILE A 73 -7.545 -8.381 -3.459 1.00 0.00 C ATOM 1162 CG2 ILE A 73 -6.077 -6.388 -4.016 1.00 0.00 C ATOM 1163 CD1 ILE A 73 -6.926 -8.985 -2.197 1.00 0.00 C ATOM 0 H ILE A 73 -6.888 -9.988 -5.564 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.757 -7.250 -5.947 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.576 -8.440 -4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.239 -7.587 -3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.123 -9.141 -3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.773 -6.352 -2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.250 -6.060 -4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.932 -5.729 -4.169 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.716 -9.375 -1.555 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.251 -9.795 -2.474 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.370 -8.216 -1.661 1.00 0.00 H new ATOM 1175 N SER A 74 -5.336 -8.345 -7.635 1.00 0.00 N ATOM 1176 CA SER A 74 -4.321 -8.017 -8.622 1.00 0.00 C ATOM 1177 C SER A 74 -4.984 -7.625 -9.944 1.00 0.00 C ATOM 1178 O SER A 74 -4.565 -6.668 -10.593 1.00 0.00 O ATOM 1179 CB SER A 74 -3.362 -9.189 -8.837 1.00 0.00 C ATOM 1180 OG SER A 74 -2.293 -8.850 -9.716 1.00 0.00 O ATOM 0 H SER A 74 -5.613 -9.326 -7.619 1.00 0.00 H new ATOM 0 HA SER A 74 -3.742 -7.173 -8.248 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.955 -9.505 -7.877 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.912 -10.037 -9.245 1.00 0.00 H new ATOM 0 HG SER A 74 -1.702 -9.624 -9.826 1.00 0.00 H new ATOM 1186 N GLN A 75 -6.009 -8.384 -10.303 1.00 0.00 N ATOM 1187 CA GLN A 75 -6.734 -8.128 -11.536 1.00 0.00 C ATOM 1188 C GLN A 75 -7.543 -6.835 -11.417 1.00 0.00 C ATOM 1189 O GLN A 75 -7.415 -5.939 -12.250 1.00 0.00 O ATOM 1190 CB GLN A 75 -7.637 -9.309 -11.896 1.00 0.00 C ATOM 1191 CG GLN A 75 -7.394 -9.767 -13.336 1.00 0.00 C ATOM 1192 CD GLN A 75 -6.297 -10.832 -13.395 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -5.297 -10.692 -14.079 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -6.539 -11.900 -12.641 1.00 0.00 N ATOM 0 H GLN A 75 -6.355 -9.176 -9.762 1.00 0.00 H new ATOM 0 HA GLN A 75 -6.010 -8.008 -12.342 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.450 -10.136 -11.211 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.682 -9.023 -11.773 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.317 -10.167 -13.755 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -7.110 -8.913 -13.950 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -7.397 -11.953 -12.092 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -5.866 -12.666 -12.611 1.00 0.00 H new TER 1203 GLN A 75 HETATM 1204 LA LA A 105 -6.794 -22.529 6.266 1.00 0.00 LA