USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -103:sc= 0.115 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.431 USER MOD Single : A 5 THR OG1 : rot -48:sc= 0.0898 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 16 CYS SG : rot 80:sc= -1.68 USER MOD Single : A 22 SER OG : rot 180:sc= 0.152 USER MOD Single : A 39 TYR OH : rot 165:sc= -0.756 USER MOD Single : A 41 SER OG : rot 76:sc= 1.16 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.444 F(o=-1.9,f=-0.44) USER MOD Single : A 47 THR OG1 : rot -94:sc= -2.44! USER MOD Single : A 55 TYR OH : rot -124:sc= 0.00841 USER MOD Single : A 58 GLN : amide:sc= -0.0774 K(o=-0.077,f=-2.5!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00582 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 88:sc= 1.17 USER MOD Single : A 78 ASN : amide:sc= -5.54! C(o=-5.5!,f=-7.7!) USER MOD Single : A 80 SER OG : rot 90:sc= -4.21! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -164:sc=-0.00412 (180deg=-0.159) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 60.972 13.884 5.886 1.00 0.00 N ATOM 2 CA MET A 1 62.135 12.955 5.808 1.00 0.00 C ATOM 3 C MET A 1 62.816 13.106 4.452 1.00 0.00 C ATOM 4 O MET A 1 62.306 13.779 3.555 1.00 0.00 O ATOM 5 CB MET A 1 61.649 11.514 5.978 1.00 0.00 C ATOM 6 CG MET A 1 61.758 11.107 7.449 1.00 0.00 C ATOM 7 SD MET A 1 63.396 10.407 7.763 1.00 0.00 S ATOM 8 CE MET A 1 63.865 11.519 9.111 1.00 0.00 C ATOM 0 H1 MET A 1 61.224 14.708 6.468 1.00 0.00 H new ATOM 0 H2 MET A 1 60.716 14.201 4.929 1.00 0.00 H new ATOM 0 H3 MET A 1 60.163 13.392 6.315 1.00 0.00 H new ATOM 0 HA MET A 1 62.845 13.194 6.599 1.00 0.00 H new ATOM 0 HB2 MET A 1 60.616 11.426 5.641 1.00 0.00 H new ATOM 0 HB3 MET A 1 62.245 10.843 5.359 1.00 0.00 H new ATOM 0 HG2 MET A 1 61.592 11.973 8.090 1.00 0.00 H new ATOM 0 HG3 MET A 1 60.986 10.377 7.693 1.00 0.00 H new ATOM 0 HE1 MET A 1 64.863 11.261 9.464 1.00 0.00 H new ATOM 0 HE2 MET A 1 63.862 12.548 8.752 1.00 0.00 H new ATOM 0 HE3 MET A 1 63.153 11.418 9.930 1.00 0.00 H new ATOM 20 N THR A 2 63.977 12.471 4.312 1.00 0.00 N ATOM 21 CA THR A 2 64.726 12.539 3.061 1.00 0.00 C ATOM 22 C THR A 2 64.704 11.186 2.355 1.00 0.00 C ATOM 23 O THR A 2 64.199 10.200 2.891 1.00 0.00 O ATOM 24 CB THR A 2 66.178 12.942 3.329 1.00 0.00 C ATOM 25 OG1 THR A 2 66.918 12.883 2.117 1.00 0.00 O ATOM 26 CG2 THR A 2 66.795 11.988 4.353 1.00 0.00 C ATOM 0 H THR A 2 64.416 11.909 5.041 1.00 0.00 H new ATOM 0 HA THR A 2 64.255 13.288 2.424 1.00 0.00 H new ATOM 0 HB THR A 2 66.205 13.959 3.721 1.00 0.00 H new ATOM 0 HG1 THR A 2 67.847 13.143 2.288 1.00 0.00 H new ATOM 0 HG21 THR A 2 67.829 12.277 4.542 1.00 0.00 H new ATOM 0 HG22 THR A 2 66.229 12.036 5.283 1.00 0.00 H new ATOM 0 HG23 THR A 2 66.768 10.970 3.964 1.00 0.00 H new ATOM 34 N LEU A 3 65.256 11.153 1.145 1.00 0.00 N ATOM 35 CA LEU A 3 65.295 9.915 0.369 1.00 0.00 C ATOM 36 C LEU A 3 66.646 9.220 0.539 1.00 0.00 C ATOM 37 O LEU A 3 67.497 9.668 1.306 1.00 0.00 O ATOM 38 CB LEU A 3 65.025 10.200 -1.118 1.00 0.00 C ATOM 39 CG LEU A 3 66.190 10.798 -1.921 1.00 0.00 C ATOM 40 CD1 LEU A 3 65.913 10.645 -3.423 1.00 0.00 C ATOM 41 CD2 LEU A 3 66.338 12.283 -1.578 1.00 0.00 C ATOM 0 H LEU A 3 65.678 11.959 0.684 1.00 0.00 H new ATOM 0 HA LEU A 3 64.514 9.253 0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 3 64.724 9.268 -1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 3 64.177 10.882 -1.187 1.00 0.00 H new ATOM 0 HG LEU A 3 67.111 10.272 -1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 3 66.741 11.070 -3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 3 65.810 9.588 -3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 3 64.992 11.168 -3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 3 67.165 12.707 -2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 3 65.417 12.808 -1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 3 66.538 12.392 -0.512 1.00 0.00 H new ATOM 53 N LEU A 4 66.830 8.117 -0.182 1.00 0.00 N ATOM 54 CA LEU A 4 68.080 7.363 -0.095 1.00 0.00 C ATOM 55 C LEU A 4 68.743 7.285 -1.467 1.00 0.00 C ATOM 56 O LEU A 4 68.093 7.485 -2.493 1.00 0.00 O ATOM 57 CB LEU A 4 67.805 5.949 0.431 1.00 0.00 C ATOM 58 CG LEU A 4 69.044 5.074 0.654 1.00 0.00 C ATOM 59 CD1 LEU A 4 68.811 4.149 1.851 1.00 0.00 C ATOM 60 CD2 LEU A 4 69.297 4.223 -0.591 1.00 0.00 C ATOM 0 H LEU A 4 66.140 7.728 -0.825 1.00 0.00 H new ATOM 0 HA LEU A 4 68.751 7.875 0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 4 67.265 6.030 1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 4 67.145 5.441 -0.272 1.00 0.00 H new ATOM 0 HG LEU A 4 69.905 5.714 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 4 69.693 3.528 2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 4 68.626 4.748 2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 4 67.948 3.512 1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 4 70.178 3.601 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 4 68.432 3.587 -0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 4 69.462 4.874 -1.449 1.00 0.00 H new ATOM 72 N THR A 5 70.044 7.005 -1.482 1.00 0.00 N ATOM 73 CA THR A 5 70.771 6.921 -2.746 1.00 0.00 C ATOM 74 C THR A 5 71.603 5.643 -2.827 1.00 0.00 C ATOM 75 O THR A 5 71.769 4.921 -1.845 1.00 0.00 O ATOM 76 CB THR A 5 71.700 8.126 -2.903 1.00 0.00 C ATOM 77 OG1 THR A 5 72.296 8.429 -1.649 1.00 0.00 O ATOM 78 CG2 THR A 5 70.896 9.330 -3.393 1.00 0.00 C ATOM 0 H THR A 5 70.608 6.835 -0.649 1.00 0.00 H new ATOM 0 HA THR A 5 70.032 6.911 -3.547 1.00 0.00 H new ATOM 0 HB THR A 5 72.480 7.893 -3.628 1.00 0.00 H new ATOM 0 HG1 THR A 5 71.605 8.446 -0.954 1.00 0.00 H new ATOM 0 HG21 THR A 5 71.558 10.189 -3.505 1.00 0.00 H new ATOM 0 HG22 THR A 5 70.440 9.096 -4.355 1.00 0.00 H new ATOM 0 HG23 THR A 5 70.116 9.565 -2.669 1.00 0.00 H new ATOM 86 N LEU A 6 72.131 5.383 -4.021 1.00 0.00 N ATOM 87 CA LEU A 6 72.958 4.200 -4.250 1.00 0.00 C ATOM 88 C LEU A 6 74.195 4.247 -3.362 1.00 0.00 C ATOM 89 O LEU A 6 74.568 3.257 -2.733 1.00 0.00 O ATOM 90 CB LEU A 6 73.377 4.137 -5.725 1.00 0.00 C ATOM 91 CG LEU A 6 74.470 3.108 -6.069 1.00 0.00 C ATOM 92 CD1 LEU A 6 74.094 2.353 -7.347 1.00 0.00 C ATOM 93 CD2 LEU A 6 75.804 3.830 -6.286 1.00 0.00 C ATOM 0 H LEU A 6 72.002 5.973 -4.843 1.00 0.00 H new ATOM 0 HA LEU A 6 72.380 3.310 -4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 6 72.494 3.915 -6.325 1.00 0.00 H new ATOM 0 HB3 LEU A 6 73.727 5.124 -6.026 1.00 0.00 H new ATOM 0 HG LEU A 6 74.563 2.401 -5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 6 74.872 1.627 -7.583 1.00 0.00 H new ATOM 0 HD12 LEU A 6 73.147 1.834 -7.198 1.00 0.00 H new ATOM 0 HD13 LEU A 6 73.995 3.059 -8.171 1.00 0.00 H new ATOM 0 HD21 LEU A 6 76.577 3.101 -6.529 1.00 0.00 H new ATOM 0 HD22 LEU A 6 75.704 4.540 -7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 6 76.081 4.363 -5.377 1.00 0.00 H new ATOM 105 N SER A 7 74.821 5.413 -3.321 1.00 0.00 N ATOM 106 CA SER A 7 76.023 5.604 -2.510 1.00 0.00 C ATOM 107 C SER A 7 75.745 5.286 -1.039 1.00 0.00 C ATOM 108 O SER A 7 76.641 4.873 -0.301 1.00 0.00 O ATOM 109 CB SER A 7 76.517 7.047 -2.625 1.00 0.00 C ATOM 110 OG SER A 7 77.491 7.128 -3.656 1.00 0.00 O ATOM 0 H SER A 7 74.522 6.241 -3.836 1.00 0.00 H new ATOM 0 HA SER A 7 76.788 4.923 -2.883 1.00 0.00 H new ATOM 0 HB2 SER A 7 75.682 7.713 -2.844 1.00 0.00 H new ATOM 0 HB3 SER A 7 76.945 7.374 -1.677 1.00 0.00 H new ATOM 0 HG SER A 7 77.809 8.052 -3.734 1.00 0.00 H new ATOM 116 N ASP A 8 74.497 5.485 -0.622 1.00 0.00 N ATOM 117 CA ASP A 8 74.116 5.221 0.759 1.00 0.00 C ATOM 118 C ASP A 8 74.073 3.721 1.028 1.00 0.00 C ATOM 119 O ASP A 8 74.858 3.195 1.811 1.00 0.00 O ATOM 120 CB ASP A 8 72.742 5.821 1.056 1.00 0.00 C ATOM 121 CG ASP A 8 72.861 7.336 1.186 1.00 0.00 C ATOM 122 OD1 ASP A 8 73.875 7.790 1.690 1.00 0.00 O ATOM 123 OD2 ASP A 8 71.935 8.019 0.780 1.00 0.00 O ATOM 0 H ASP A 8 73.740 5.825 -1.216 1.00 0.00 H new ATOM 0 HA ASP A 8 74.863 5.681 1.406 1.00 0.00 H new ATOM 0 HB2 ASP A 8 72.044 5.568 0.258 1.00 0.00 H new ATOM 0 HB3 ASP A 8 72.341 5.398 1.977 1.00 0.00 H new ATOM 128 N LEU A 9 73.141 3.032 0.370 1.00 0.00 N ATOM 129 CA LEU A 9 72.997 1.584 0.553 1.00 0.00 C ATOM 130 C LEU A 9 74.324 0.858 0.323 1.00 0.00 C ATOM 131 O LEU A 9 74.606 -0.167 0.944 1.00 0.00 O ATOM 132 CB LEU A 9 71.956 1.025 -0.419 1.00 0.00 C ATOM 133 CG LEU A 9 71.734 -0.489 -0.335 1.00 0.00 C ATOM 134 CD1 LEU A 9 70.606 -0.786 0.654 1.00 0.00 C ATOM 135 CD2 LEU A 9 71.354 -1.029 -1.716 1.00 0.00 C ATOM 0 H LEU A 9 72.480 3.445 -0.288 1.00 0.00 H new ATOM 0 HA LEU A 9 72.675 1.418 1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 9 71.006 1.526 -0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 9 72.259 1.276 -1.435 1.00 0.00 H new ATOM 0 HG LEU A 9 72.652 -0.970 0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 9 70.448 -1.863 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 9 70.875 -0.404 1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 9 69.689 -0.303 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 9 71.196 -2.106 -1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 9 70.437 -0.547 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 9 72.157 -0.819 -2.422 1.00 0.00 H new ATOM 147 N LEU A 10 75.127 1.398 -0.585 1.00 0.00 N ATOM 148 CA LEU A 10 76.418 0.796 -0.910 1.00 0.00 C ATOM 149 C LEU A 10 77.367 0.820 0.293 1.00 0.00 C ATOM 150 O LEU A 10 77.779 -0.226 0.795 1.00 0.00 O ATOM 151 CB LEU A 10 77.060 1.542 -2.088 1.00 0.00 C ATOM 152 CG LEU A 10 76.939 0.851 -3.454 1.00 0.00 C ATOM 153 CD1 LEU A 10 75.496 0.385 -3.687 1.00 0.00 C ATOM 154 CD2 LEU A 10 77.330 1.838 -4.556 1.00 0.00 C ATOM 0 H LEU A 10 74.911 2.247 -1.108 1.00 0.00 H new ATOM 0 HA LEU A 10 76.243 -0.245 -1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 10 76.607 2.531 -2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.117 1.691 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 10 77.602 -0.014 -3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 10 75.424 -0.103 -4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 10 75.210 -0.319 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 10 74.827 1.245 -3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 10 77.245 1.351 -5.527 1.00 0.00 H new ATOM 0 HD22 LEU A 10 76.665 2.701 -4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 10 78.358 2.166 -4.403 1.00 0.00 H new ATOM 166 N THR A 11 77.720 2.026 0.736 1.00 0.00 N ATOM 167 CA THR A 11 78.640 2.194 1.872 1.00 0.00 C ATOM 168 C THR A 11 78.210 1.332 3.066 1.00 0.00 C ATOM 169 O THR A 11 79.026 0.698 3.729 1.00 0.00 O ATOM 170 CB THR A 11 78.724 3.688 2.269 1.00 0.00 C ATOM 171 OG1 THR A 11 80.009 3.959 2.808 1.00 0.00 O ATOM 172 CG2 THR A 11 77.653 4.075 3.304 1.00 0.00 C ATOM 0 H THR A 11 77.387 2.901 0.331 1.00 0.00 H new ATOM 0 HA THR A 11 79.631 1.858 1.566 1.00 0.00 H new ATOM 0 HB THR A 11 78.549 4.279 1.370 1.00 0.00 H new ATOM 0 HG1 THR A 11 80.066 4.905 3.059 1.00 0.00 H new ATOM 0 HG21 THR A 11 77.751 5.132 3.552 1.00 0.00 H new ATOM 0 HG22 THR A 11 76.662 3.890 2.889 1.00 0.00 H new ATOM 0 HG23 THR A 11 77.786 3.477 4.206 1.00 0.00 H new ATOM 180 N LEU A 12 76.913 1.325 3.324 1.00 0.00 N ATOM 181 CA LEU A 12 76.380 0.537 4.431 1.00 0.00 C ATOM 182 C LEU A 12 76.618 -0.939 4.164 1.00 0.00 C ATOM 183 O LEU A 12 76.979 -1.704 5.059 1.00 0.00 O ATOM 184 CB LEU A 12 74.881 0.775 4.596 1.00 0.00 C ATOM 185 CG LEU A 12 74.482 2.236 4.777 1.00 0.00 C ATOM 186 CD1 LEU A 12 72.959 2.363 4.731 1.00 0.00 C ATOM 187 CD2 LEU A 12 74.997 2.735 6.126 1.00 0.00 C ATOM 0 H LEU A 12 76.216 1.847 2.793 1.00 0.00 H new ATOM 0 HA LEU A 12 76.889 0.843 5.345 1.00 0.00 H new ATOM 0 HB2 LEU A 12 74.366 0.378 3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 12 74.530 0.208 5.458 1.00 0.00 H new ATOM 0 HG LEU A 12 74.916 2.834 3.976 1.00 0.00 H new ATOM 0 HD11 LEU A 12 72.677 3.408 4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 12 72.593 2.005 3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 12 72.520 1.767 5.531 1.00 0.00 H new ATOM 0 HD21 LEU A 12 74.714 3.779 6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 12 74.562 2.136 6.926 1.00 0.00 H new ATOM 0 HD23 LEU A 12 76.083 2.647 6.156 1.00 0.00 H new ATOM 199 N LEU A 13 76.408 -1.324 2.912 1.00 0.00 N ATOM 200 CA LEU A 13 76.596 -2.713 2.510 1.00 0.00 C ATOM 201 C LEU A 13 78.065 -3.110 2.622 1.00 0.00 C ATOM 202 O LEU A 13 78.395 -4.127 3.233 1.00 0.00 O ATOM 203 CB LEU A 13 76.100 -2.938 1.077 1.00 0.00 C ATOM 204 CG LEU A 13 74.712 -3.583 0.974 1.00 0.00 C ATOM 205 CD1 LEU A 13 74.300 -3.689 -0.496 1.00 0.00 C ATOM 206 CD2 LEU A 13 74.750 -4.985 1.594 1.00 0.00 C ATOM 0 H LEU A 13 76.110 -0.700 2.162 1.00 0.00 H new ATOM 0 HA LEU A 13 76.010 -3.339 3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 13 76.080 -1.979 0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 13 76.819 -3.568 0.553 1.00 0.00 H new ATOM 0 HG LEU A 13 73.989 -2.967 1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 13 73.314 -4.148 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 13 74.269 -2.693 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 13 75.024 -4.302 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 13 73.763 -5.442 1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 13 75.475 -5.599 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 13 75.038 -4.911 2.643 1.00 0.00 H new ATOM 218 N ARG A 14 78.948 -2.301 2.038 1.00 0.00 N ATOM 219 CA ARG A 14 80.372 -2.605 2.108 1.00 0.00 C ATOM 220 C ARG A 14 80.854 -2.472 3.554 1.00 0.00 C ATOM 221 O ARG A 14 81.734 -3.208 3.998 1.00 0.00 O ATOM 222 CB ARG A 14 81.200 -1.708 1.162 1.00 0.00 C ATOM 223 CG ARG A 14 81.273 -0.267 1.679 1.00 0.00 C ATOM 224 CD ARG A 14 82.467 -0.126 2.626 1.00 0.00 C ATOM 225 NE ARG A 14 83.015 1.231 2.571 1.00 0.00 N ATOM 226 CZ ARG A 14 82.457 2.255 3.233 1.00 0.00 C ATOM 227 NH1 ARG A 14 81.377 2.088 3.958 1.00 0.00 N ATOM 228 NH2 ARG A 14 82.997 3.440 3.152 1.00 0.00 N ATOM 0 H ARG A 14 78.710 -1.452 1.525 1.00 0.00 H new ATOM 0 HA ARG A 14 80.519 -3.632 1.774 1.00 0.00 H new ATOM 0 HB2 ARG A 14 82.207 -2.112 1.064 1.00 0.00 H new ATOM 0 HB3 ARG A 14 80.755 -1.717 0.167 1.00 0.00 H new ATOM 0 HG2 ARG A 14 81.374 0.426 0.844 1.00 0.00 H new ATOM 0 HG3 ARG A 14 80.350 -0.008 2.198 1.00 0.00 H new ATOM 0 HD2 ARG A 14 82.158 -0.358 3.645 1.00 0.00 H new ATOM 0 HD3 ARG A 14 83.239 -0.846 2.355 1.00 0.00 H new ATOM 0 HE ARG A 14 83.849 1.403 2.010 1.00 0.00 H new ATOM 0 HH11 ARG A 14 80.946 1.166 4.026 1.00 0.00 H new ATOM 0 HH12 ARG A 14 80.968 2.880 4.454 1.00 0.00 H new ATOM 0 HH21 ARG A 14 83.836 3.581 2.589 1.00 0.00 H new ATOM 0 HH22 ARG A 14 82.580 4.226 3.652 1.00 0.00 H new ATOM 242 N GLU A 15 80.243 -1.539 4.293 1.00 0.00 N ATOM 243 CA GLU A 15 80.601 -1.345 5.696 1.00 0.00 C ATOM 244 C GLU A 15 80.284 -2.618 6.474 1.00 0.00 C ATOM 245 O GLU A 15 81.099 -3.116 7.250 1.00 0.00 O ATOM 246 CB GLU A 15 79.820 -0.169 6.300 1.00 0.00 C ATOM 247 CG GLU A 15 80.248 0.056 7.761 1.00 0.00 C ATOM 248 CD GLU A 15 80.931 1.414 7.899 1.00 0.00 C ATOM 249 OE1 GLU A 15 82.066 1.532 7.464 1.00 0.00 O ATOM 250 OE2 GLU A 15 80.311 2.316 8.439 1.00 0.00 O ATOM 0 H GLU A 15 79.511 -0.918 3.948 1.00 0.00 H new ATOM 0 HA GLU A 15 81.666 -1.122 5.759 1.00 0.00 H new ATOM 0 HB2 GLU A 15 80.000 0.734 5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 15 78.750 -0.371 6.253 1.00 0.00 H new ATOM 0 HG2 GLU A 15 79.378 0.009 8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 15 80.927 -0.736 8.076 1.00 0.00 H new ATOM 257 N CYS A 16 79.088 -3.147 6.232 1.00 0.00 N ATOM 258 CA CYS A 16 78.657 -4.378 6.882 1.00 0.00 C ATOM 259 C CYS A 16 79.542 -5.522 6.414 1.00 0.00 C ATOM 260 O CYS A 16 79.935 -6.392 7.192 1.00 0.00 O ATOM 261 CB CYS A 16 77.207 -4.688 6.519 1.00 0.00 C ATOM 262 SG CYS A 16 76.451 -5.675 7.833 1.00 0.00 S ATOM 0 H CYS A 16 78.403 -2.743 5.593 1.00 0.00 H new ATOM 0 HA CYS A 16 78.735 -4.257 7.962 1.00 0.00 H new ATOM 0 HB2 CYS A 16 76.650 -3.761 6.380 1.00 0.00 H new ATOM 0 HB3 CYS A 16 77.166 -5.229 5.574 1.00 0.00 H new ATOM 0 HG CYS A 16 76.099 -4.896 8.813 1.00 0.00 H new ATOM 268 N ALA A 17 79.864 -5.491 5.122 1.00 0.00 N ATOM 269 CA ALA A 17 80.724 -6.511 4.526 1.00 0.00 C ATOM 270 C ALA A 17 82.078 -6.522 5.219 1.00 0.00 C ATOM 271 O ALA A 17 82.657 -7.576 5.483 1.00 0.00 O ATOM 272 CB ALA A 17 80.947 -6.222 3.041 1.00 0.00 C ATOM 0 H ALA A 17 79.544 -4.774 4.471 1.00 0.00 H new ATOM 0 HA ALA A 17 80.233 -7.477 4.644 1.00 0.00 H new ATOM 0 HB1 ALA A 17 81.590 -6.991 2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 17 79.988 -6.220 2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 17 81.422 -5.248 2.927 1.00 0.00 H new ATOM 278 N GLY A 18 82.574 -5.324 5.510 1.00 0.00 N ATOM 279 CA GLY A 18 83.862 -5.183 6.172 1.00 0.00 C ATOM 280 C GLY A 18 84.519 -3.861 5.800 1.00 0.00 C ATOM 281 O GLY A 18 84.810 -3.037 6.667 1.00 0.00 O ATOM 0 H GLY A 18 82.106 -4.443 5.299 1.00 0.00 H new ATOM 0 HA2 GLY A 18 83.728 -5.237 7.252 1.00 0.00 H new ATOM 0 HA3 GLY A 18 84.513 -6.010 5.890 1.00 0.00 H new ATOM 285 N GLU A 19 84.753 -3.667 4.497 1.00 0.00 N ATOM 286 CA GLU A 19 85.389 -2.434 4.005 1.00 0.00 C ATOM 287 C GLU A 19 85.710 -2.567 2.512 1.00 0.00 C ATOM 288 O GLU A 19 85.295 -3.529 1.866 1.00 0.00 O ATOM 289 CB GLU A 19 86.697 -2.154 4.773 1.00 0.00 C ATOM 290 CG GLU A 19 87.572 -3.409 4.767 1.00 0.00 C ATOM 291 CD GLU A 19 88.965 -3.060 5.282 1.00 0.00 C ATOM 292 OE1 GLU A 19 89.055 -2.545 6.384 1.00 0.00 O ATOM 293 OE2 GLU A 19 89.920 -3.312 4.566 1.00 0.00 O ATOM 0 H GLU A 19 84.515 -4.340 3.768 1.00 0.00 H new ATOM 0 HA GLU A 19 84.694 -1.609 4.163 1.00 0.00 H new ATOM 0 HB2 GLU A 19 87.231 -1.323 4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 19 86.473 -1.859 5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 19 87.124 -4.181 5.393 1.00 0.00 H new ATOM 0 HG3 GLU A 19 87.637 -3.815 3.758 1.00 0.00 H new ATOM 300 N GLU A 20 86.466 -1.584 1.983 1.00 0.00 N ATOM 301 CA GLU A 20 86.884 -1.555 0.567 1.00 0.00 C ATOM 302 C GLU A 20 85.861 -0.827 -0.305 1.00 0.00 C ATOM 303 O GLU A 20 85.214 -1.421 -1.170 1.00 0.00 O ATOM 304 CB GLU A 20 87.135 -2.961 -0.004 1.00 0.00 C ATOM 305 CG GLU A 20 88.030 -2.853 -1.239 1.00 0.00 C ATOM 306 CD GLU A 20 88.076 -4.199 -1.955 1.00 0.00 C ATOM 307 OE1 GLU A 20 88.917 -5.007 -1.600 1.00 0.00 O ATOM 308 OE2 GLU A 20 87.270 -4.401 -2.847 1.00 0.00 O ATOM 0 H GLU A 20 86.804 -0.789 2.525 1.00 0.00 H new ATOM 0 HA GLU A 20 87.827 -1.008 0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 20 87.608 -3.592 0.748 1.00 0.00 H new ATOM 0 HB3 GLU A 20 86.189 -3.433 -0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 20 87.648 -2.085 -1.911 1.00 0.00 H new ATOM 0 HG3 GLU A 20 89.036 -2.550 -0.947 1.00 0.00 H new ATOM 315 N GLU A 21 85.748 0.484 -0.082 1.00 0.00 N ATOM 316 CA GLU A 21 84.834 1.332 -0.857 1.00 0.00 C ATOM 317 C GLU A 21 83.429 0.732 -0.958 1.00 0.00 C ATOM 318 O GLU A 21 83.133 -0.313 -0.378 1.00 0.00 O ATOM 319 CB GLU A 21 85.387 1.541 -2.272 1.00 0.00 C ATOM 320 CG GLU A 21 86.216 2.827 -2.316 1.00 0.00 C ATOM 321 CD GLU A 21 85.334 3.988 -2.764 1.00 0.00 C ATOM 322 OE1 GLU A 21 84.792 3.908 -3.854 1.00 0.00 O ATOM 323 OE2 GLU A 21 85.214 4.939 -2.010 1.00 0.00 O ATOM 0 H GLU A 21 86.279 0.985 0.631 1.00 0.00 H new ATOM 0 HA GLU A 21 84.759 2.284 -0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 21 86.003 0.690 -2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 21 84.568 1.600 -2.988 1.00 0.00 H new ATOM 0 HG2 GLU A 21 86.636 3.035 -1.332 1.00 0.00 H new ATOM 0 HG3 GLU A 21 87.055 2.708 -3.002 1.00 0.00 H new ATOM 330 N SER A 22 82.574 1.421 -1.712 1.00 0.00 N ATOM 331 CA SER A 22 81.196 0.979 -1.911 1.00 0.00 C ATOM 332 C SER A 22 81.160 -0.345 -2.666 1.00 0.00 C ATOM 333 O SER A 22 80.852 -1.393 -2.099 1.00 0.00 O ATOM 334 CB SER A 22 80.418 2.028 -2.707 1.00 0.00 C ATOM 335 OG SER A 22 81.277 2.615 -3.676 1.00 0.00 O ATOM 0 H SER A 22 82.812 2.287 -2.195 1.00 0.00 H new ATOM 0 HA SER A 22 80.738 0.845 -0.931 1.00 0.00 H new ATOM 0 HB2 SER A 22 79.560 1.567 -3.196 1.00 0.00 H new ATOM 0 HB3 SER A 22 80.029 2.795 -2.037 1.00 0.00 H new ATOM 0 HG SER A 22 80.781 3.287 -4.189 1.00 0.00 H new ATOM 341 N ILE A 23 81.477 -0.284 -3.955 1.00 0.00 N ATOM 342 CA ILE A 23 81.480 -1.477 -4.790 1.00 0.00 C ATOM 343 C ILE A 23 82.862 -1.688 -5.399 1.00 0.00 C ATOM 344 O ILE A 23 83.093 -1.417 -6.579 1.00 0.00 O ATOM 345 CB ILE A 23 80.445 -1.347 -5.911 1.00 0.00 C ATOM 346 CG1 ILE A 23 79.065 -1.031 -5.310 1.00 0.00 C ATOM 347 CG2 ILE A 23 80.379 -2.655 -6.701 1.00 0.00 C ATOM 348 CD1 ILE A 23 78.619 -2.153 -4.362 1.00 0.00 C ATOM 0 H ILE A 23 81.734 0.575 -4.441 1.00 0.00 H new ATOM 0 HA ILE A 23 81.225 -2.333 -4.166 1.00 0.00 H new ATOM 0 HB ILE A 23 80.737 -0.537 -6.580 1.00 0.00 H new ATOM 0 HG12 ILE A 23 79.106 -0.085 -4.769 1.00 0.00 H new ATOM 0 HG13 ILE A 23 78.333 -0.910 -6.109 1.00 0.00 H new ATOM 0 HG21 ILE A 23 79.642 -2.562 -7.499 1.00 0.00 H new ATOM 0 HG22 ILE A 23 81.357 -2.869 -7.133 1.00 0.00 H new ATOM 0 HG23 ILE A 23 80.091 -3.468 -6.035 1.00 0.00 H new ATOM 0 HD11 ILE A 23 77.641 -1.911 -3.947 1.00 0.00 H new ATOM 0 HD12 ILE A 23 78.558 -3.092 -4.913 1.00 0.00 H new ATOM 0 HD13 ILE A 23 79.342 -2.254 -3.552 1.00 0.00 H new ATOM 360 N ASP A 24 83.777 -2.174 -4.576 1.00 0.00 N ATOM 361 CA ASP A 24 85.143 -2.423 -5.030 1.00 0.00 C ATOM 362 C ASP A 24 85.376 -3.916 -5.232 1.00 0.00 C ATOM 363 O ASP A 24 86.096 -4.330 -6.141 1.00 0.00 O ATOM 364 CB ASP A 24 86.150 -1.894 -4.009 1.00 0.00 C ATOM 365 CG ASP A 24 87.555 -1.957 -4.597 1.00 0.00 C ATOM 366 OD1 ASP A 24 88.042 -3.055 -4.803 1.00 0.00 O ATOM 367 OD2 ASP A 24 88.123 -0.903 -4.835 1.00 0.00 O ATOM 0 H ASP A 24 83.605 -2.404 -3.597 1.00 0.00 H new ATOM 0 HA ASP A 24 85.281 -1.904 -5.979 1.00 0.00 H new ATOM 0 HB2 ASP A 24 85.904 -0.867 -3.739 1.00 0.00 H new ATOM 0 HB3 ASP A 24 86.101 -2.485 -3.095 1.00 0.00 H new ATOM 372 N LEU A 25 84.760 -4.719 -4.371 1.00 0.00 N ATOM 373 CA LEU A 25 84.906 -6.170 -4.459 1.00 0.00 C ATOM 374 C LEU A 25 83.921 -6.771 -5.467 1.00 0.00 C ATOM 375 O LEU A 25 84.063 -7.925 -5.870 1.00 0.00 O ATOM 376 CB LEU A 25 84.666 -6.813 -3.094 1.00 0.00 C ATOM 377 CG LEU A 25 83.268 -6.599 -2.510 1.00 0.00 C ATOM 378 CD1 LEU A 25 82.305 -7.636 -3.093 1.00 0.00 C ATOM 379 CD2 LEU A 25 83.323 -6.756 -0.988 1.00 0.00 C ATOM 0 H LEU A 25 84.161 -4.396 -3.612 1.00 0.00 H new ATOM 0 HA LEU A 25 85.923 -6.374 -4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 25 84.847 -7.885 -3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 25 85.400 -6.420 -2.391 1.00 0.00 H new ATOM 0 HG LEU A 25 82.919 -5.598 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 25 81.309 -7.483 -2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 25 82.266 -7.527 -4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 25 82.653 -8.638 -2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 25 82.328 -6.604 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 25 83.672 -7.758 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 25 84.008 -6.018 -0.571 1.00 0.00 H new ATOM 391 N GLY A 26 82.916 -5.989 -5.869 1.00 0.00 N ATOM 392 CA GLY A 26 81.926 -6.481 -6.822 1.00 0.00 C ATOM 393 C GLY A 26 82.119 -5.842 -8.193 1.00 0.00 C ATOM 394 O GLY A 26 81.929 -6.485 -9.225 1.00 0.00 O ATOM 0 H GLY A 26 82.770 -5.030 -5.555 1.00 0.00 H new ATOM 0 HA2 GLY A 26 82.006 -7.565 -6.908 1.00 0.00 H new ATOM 0 HA3 GLY A 26 80.923 -6.264 -6.454 1.00 0.00 H new ATOM 398 N GLY A 27 82.493 -4.564 -8.194 1.00 0.00 N ATOM 399 CA GLY A 27 82.703 -3.841 -9.448 1.00 0.00 C ATOM 400 C GLY A 27 81.428 -3.834 -10.285 1.00 0.00 C ATOM 401 O GLY A 27 81.128 -4.796 -10.993 1.00 0.00 O ATOM 0 H GLY A 27 82.655 -4.012 -7.352 1.00 0.00 H new ATOM 0 HA2 GLY A 27 83.011 -2.817 -9.236 1.00 0.00 H new ATOM 0 HA3 GLY A 27 83.512 -4.307 -10.011 1.00 0.00 H new ATOM 405 N ASP A 28 80.676 -2.738 -10.194 1.00 0.00 N ATOM 406 CA ASP A 28 79.426 -2.615 -10.942 1.00 0.00 C ATOM 407 C ASP A 28 78.463 -3.731 -10.541 1.00 0.00 C ATOM 408 O ASP A 28 78.427 -4.793 -11.161 1.00 0.00 O ATOM 409 CB ASP A 28 79.702 -2.689 -12.445 1.00 0.00 C ATOM 410 CG ASP A 28 78.412 -2.458 -13.227 1.00 0.00 C ATOM 411 OD1 ASP A 28 77.665 -3.407 -13.393 1.00 0.00 O ATOM 412 OD2 ASP A 28 78.191 -1.334 -13.646 1.00 0.00 O ATOM 0 H ASP A 28 80.907 -1.930 -9.616 1.00 0.00 H new ATOM 0 HA ASP A 28 78.974 -1.651 -10.709 1.00 0.00 H new ATOM 0 HB2 ASP A 28 80.444 -1.941 -12.724 1.00 0.00 H new ATOM 0 HB3 ASP A 28 80.121 -3.663 -12.698 1.00 0.00 H new ATOM 417 N VAL A 29 77.692 -3.478 -9.487 1.00 0.00 N ATOM 418 CA VAL A 29 76.740 -4.470 -8.997 1.00 0.00 C ATOM 419 C VAL A 29 75.461 -3.786 -8.508 1.00 0.00 C ATOM 420 O VAL A 29 75.025 -3.978 -7.372 1.00 0.00 O ATOM 421 CB VAL A 29 77.377 -5.283 -7.859 1.00 0.00 C ATOM 422 CG1 VAL A 29 77.698 -4.368 -6.664 1.00 0.00 C ATOM 423 CG2 VAL A 29 76.421 -6.396 -7.418 1.00 0.00 C ATOM 0 H VAL A 29 77.707 -2.604 -8.961 1.00 0.00 H new ATOM 0 HA VAL A 29 76.479 -5.144 -9.813 1.00 0.00 H new ATOM 0 HB VAL A 29 78.304 -5.727 -8.221 1.00 0.00 H new ATOM 0 HG11 VAL A 29 78.149 -4.957 -5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 29 78.394 -3.590 -6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 29 76.779 -3.908 -6.301 1.00 0.00 H new ATOM 0 HG21 VAL A 29 76.878 -6.969 -6.611 1.00 0.00 H new ATOM 0 HG22 VAL A 29 75.487 -5.956 -7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 29 76.217 -7.056 -8.261 1.00 0.00 H new ATOM 433 N GLU A 30 74.870 -2.982 -9.384 1.00 0.00 N ATOM 434 CA GLU A 30 73.649 -2.268 -9.049 1.00 0.00 C ATOM 435 C GLU A 30 72.413 -3.037 -9.525 1.00 0.00 C ATOM 436 O GLU A 30 71.318 -2.873 -8.987 1.00 0.00 O ATOM 437 CB GLU A 30 73.672 -0.882 -9.698 1.00 0.00 C ATOM 438 CG GLU A 30 73.695 -1.005 -11.231 1.00 0.00 C ATOM 439 CD GLU A 30 74.719 -0.034 -11.813 1.00 0.00 C ATOM 440 OE1 GLU A 30 74.726 1.111 -11.392 1.00 0.00 O ATOM 441 OE2 GLU A 30 75.479 -0.450 -12.670 1.00 0.00 O ATOM 0 H GLU A 30 75.217 -2.810 -10.328 1.00 0.00 H new ATOM 0 HA GLU A 30 73.595 -2.169 -7.965 1.00 0.00 H new ATOM 0 HB2 GLU A 30 72.796 -0.313 -9.386 1.00 0.00 H new ATOM 0 HB3 GLU A 30 74.548 -0.330 -9.358 1.00 0.00 H new ATOM 0 HG2 GLU A 30 73.944 -2.026 -11.519 1.00 0.00 H new ATOM 0 HG3 GLU A 30 72.706 -0.791 -11.637 1.00 0.00 H new ATOM 448 N ASP A 31 72.601 -3.870 -10.546 1.00 0.00 N ATOM 449 CA ASP A 31 71.500 -4.651 -11.095 1.00 0.00 C ATOM 450 C ASP A 31 71.757 -6.152 -10.944 1.00 0.00 C ATOM 451 O ASP A 31 71.181 -6.966 -11.666 1.00 0.00 O ATOM 452 CB ASP A 31 71.304 -4.321 -12.575 1.00 0.00 C ATOM 453 CG ASP A 31 70.520 -3.020 -12.707 1.00 0.00 C ATOM 454 OD1 ASP A 31 70.847 -2.081 -11.999 1.00 0.00 O ATOM 455 OD2 ASP A 31 69.605 -2.981 -13.513 1.00 0.00 O ATOM 0 H ASP A 31 73.499 -4.020 -11.006 1.00 0.00 H new ATOM 0 HA ASP A 31 70.600 -4.392 -10.538 1.00 0.00 H new ATOM 0 HB2 ASP A 31 72.271 -4.227 -13.069 1.00 0.00 H new ATOM 0 HB3 ASP A 31 70.770 -5.131 -13.072 1.00 0.00 H new ATOM 460 N VAL A 32 72.611 -6.514 -9.985 1.00 0.00 N ATOM 461 CA VAL A 32 72.910 -7.921 -9.738 1.00 0.00 C ATOM 462 C VAL A 32 72.336 -8.335 -8.385 1.00 0.00 C ATOM 463 O VAL A 32 72.406 -7.583 -7.414 1.00 0.00 O ATOM 464 CB VAL A 32 74.420 -8.162 -9.738 1.00 0.00 C ATOM 465 CG1 VAL A 32 74.700 -9.663 -9.637 1.00 0.00 C ATOM 466 CG2 VAL A 32 75.023 -7.620 -11.036 1.00 0.00 C ATOM 0 H VAL A 32 73.101 -5.860 -9.375 1.00 0.00 H new ATOM 0 HA VAL A 32 72.459 -8.515 -10.533 1.00 0.00 H new ATOM 0 HB VAL A 32 74.867 -7.651 -8.886 1.00 0.00 H new ATOM 0 HG11 VAL A 32 75.777 -9.833 -9.637 1.00 0.00 H new ATOM 0 HG12 VAL A 32 74.271 -10.052 -8.713 1.00 0.00 H new ATOM 0 HG13 VAL A 32 74.252 -10.175 -10.489 1.00 0.00 H new ATOM 0 HG21 VAL A 32 76.099 -7.792 -11.037 1.00 0.00 H new ATOM 0 HG22 VAL A 32 74.574 -8.131 -11.887 1.00 0.00 H new ATOM 0 HG23 VAL A 32 74.826 -6.551 -11.110 1.00 0.00 H new ATOM 476 N ALA A 33 71.761 -9.534 -8.333 1.00 0.00 N ATOM 477 CA ALA A 33 71.169 -10.030 -7.090 1.00 0.00 C ATOM 478 C ALA A 33 72.204 -10.063 -5.969 1.00 0.00 C ATOM 479 O ALA A 33 73.394 -10.271 -6.208 1.00 0.00 O ATOM 480 CB ALA A 33 70.605 -11.438 -7.285 1.00 0.00 C ATOM 0 H ALA A 33 71.692 -10.174 -9.124 1.00 0.00 H new ATOM 0 HA ALA A 33 70.363 -9.349 -6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 33 70.170 -11.788 -6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 33 69.837 -11.418 -8.058 1.00 0.00 H new ATOM 0 HB3 ALA A 33 71.406 -12.112 -7.587 1.00 0.00 H new ATOM 486 N PHE A 34 71.735 -9.852 -4.739 1.00 0.00 N ATOM 487 CA PHE A 34 72.626 -9.855 -3.575 1.00 0.00 C ATOM 488 C PHE A 34 73.408 -11.164 -3.493 1.00 0.00 C ATOM 489 O PHE A 34 74.618 -11.171 -3.271 1.00 0.00 O ATOM 490 CB PHE A 34 71.826 -9.683 -2.283 1.00 0.00 C ATOM 491 CG PHE A 34 71.092 -8.362 -2.313 1.00 0.00 C ATOM 492 CD1 PHE A 34 71.811 -7.161 -2.356 1.00 0.00 C ATOM 493 CD2 PHE A 34 69.693 -8.340 -2.291 1.00 0.00 C ATOM 494 CE1 PHE A 34 71.130 -5.939 -2.379 1.00 0.00 C ATOM 495 CE2 PHE A 34 69.012 -7.117 -2.314 1.00 0.00 C ATOM 496 CZ PHE A 34 69.730 -5.916 -2.358 1.00 0.00 C ATOM 0 H PHE A 34 70.754 -9.678 -4.522 1.00 0.00 H new ATOM 0 HA PHE A 34 73.320 -9.022 -3.692 1.00 0.00 H new ATOM 0 HB2 PHE A 34 71.116 -10.503 -2.171 1.00 0.00 H new ATOM 0 HB3 PHE A 34 72.494 -9.720 -1.422 1.00 0.00 H new ATOM 0 HD1 PHE A 34 72.891 -7.178 -2.371 1.00 0.00 H new ATOM 0 HD2 PHE A 34 69.139 -9.266 -2.256 1.00 0.00 H new ATOM 0 HE1 PHE A 34 71.684 -5.013 -2.413 1.00 0.00 H new ATOM 0 HE2 PHE A 34 67.932 -7.100 -2.298 1.00 0.00 H new ATOM 0 HZ PHE A 34 69.205 -4.973 -2.376 1.00 0.00 H new ATOM 506 N ASP A 35 72.704 -12.273 -3.679 1.00 0.00 N ATOM 507 CA ASP A 35 73.343 -13.583 -3.630 1.00 0.00 C ATOM 508 C ASP A 35 74.312 -13.764 -4.803 1.00 0.00 C ATOM 509 O ASP A 35 75.182 -14.635 -4.771 1.00 0.00 O ATOM 510 CB ASP A 35 72.292 -14.695 -3.676 1.00 0.00 C ATOM 511 CG ASP A 35 72.959 -16.039 -3.403 1.00 0.00 C ATOM 512 OD1 ASP A 35 73.465 -16.629 -4.343 1.00 0.00 O ATOM 513 OD2 ASP A 35 72.952 -16.458 -2.257 1.00 0.00 O ATOM 0 H ASP A 35 71.701 -12.294 -3.863 1.00 0.00 H new ATOM 0 HA ASP A 35 73.899 -13.644 -2.694 1.00 0.00 H new ATOM 0 HB2 ASP A 35 71.515 -14.506 -2.935 1.00 0.00 H new ATOM 0 HB3 ASP A 35 71.806 -14.710 -4.651 1.00 0.00 H new ATOM 518 N ALA A 36 74.149 -12.946 -5.846 1.00 0.00 N ATOM 519 CA ALA A 36 75.007 -13.045 -7.018 1.00 0.00 C ATOM 520 C ALA A 36 76.254 -12.169 -6.882 1.00 0.00 C ATOM 521 O ALA A 36 77.249 -12.391 -7.572 1.00 0.00 O ATOM 522 CB ALA A 36 74.242 -12.622 -8.273 1.00 0.00 C ATOM 0 H ALA A 36 73.438 -12.217 -5.899 1.00 0.00 H new ATOM 0 HA ALA A 36 75.319 -14.086 -7.101 1.00 0.00 H new ATOM 0 HB1 ALA A 36 74.896 -12.701 -9.142 1.00 0.00 H new ATOM 0 HB2 ALA A 36 73.378 -13.272 -8.409 1.00 0.00 H new ATOM 0 HB3 ALA A 36 73.906 -11.591 -8.164 1.00 0.00 H new ATOM 528 N LEU A 37 76.201 -11.167 -6.001 1.00 0.00 N ATOM 529 CA LEU A 37 77.350 -10.282 -5.824 1.00 0.00 C ATOM 530 C LEU A 37 78.234 -10.751 -4.668 1.00 0.00 C ATOM 531 O LEU A 37 79.429 -10.458 -4.631 1.00 0.00 O ATOM 532 CB LEU A 37 76.892 -8.838 -5.585 1.00 0.00 C ATOM 533 CG LEU A 37 76.343 -8.523 -4.189 1.00 0.00 C ATOM 534 CD1 LEU A 37 77.500 -8.154 -3.251 1.00 0.00 C ATOM 535 CD2 LEU A 37 75.360 -7.349 -4.287 1.00 0.00 C ATOM 0 H LEU A 37 75.395 -10.953 -5.413 1.00 0.00 H new ATOM 0 HA LEU A 37 77.938 -10.316 -6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 37 77.735 -8.175 -5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 37 76.122 -8.597 -6.318 1.00 0.00 H new ATOM 0 HG LEU A 37 75.828 -9.398 -3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 37 77.107 -7.930 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 37 78.196 -8.990 -3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 37 78.020 -7.279 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 37 74.966 -7.121 -3.297 1.00 0.00 H new ATOM 0 HD22 LEU A 37 75.876 -6.474 -4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 37 74.538 -7.617 -4.951 1.00 0.00 H new ATOM 547 N GLY A 38 77.646 -11.493 -3.729 1.00 0.00 N ATOM 548 CA GLY A 38 78.416 -11.996 -2.594 1.00 0.00 C ATOM 549 C GLY A 38 77.695 -11.790 -1.258 1.00 0.00 C ATOM 550 O GLY A 38 78.190 -12.219 -0.215 1.00 0.00 O ATOM 0 H GLY A 38 76.660 -11.754 -3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 38 78.614 -13.058 -2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 38 79.382 -11.493 -2.563 1.00 0.00 H new ATOM 554 N TYR A 39 76.531 -11.137 -1.280 1.00 0.00 N ATOM 555 CA TYR A 39 75.793 -10.906 -0.041 1.00 0.00 C ATOM 556 C TYR A 39 74.838 -12.061 0.234 1.00 0.00 C ATOM 557 O TYR A 39 74.236 -12.622 -0.681 1.00 0.00 O ATOM 558 CB TYR A 39 74.991 -9.603 -0.116 1.00 0.00 C ATOM 559 CG TYR A 39 75.918 -8.404 -0.084 1.00 0.00 C ATOM 560 CD1 TYR A 39 76.971 -8.338 0.841 1.00 0.00 C ATOM 561 CD2 TYR A 39 75.712 -7.350 -0.980 1.00 0.00 C ATOM 562 CE1 TYR A 39 77.815 -7.221 0.864 1.00 0.00 C ATOM 563 CE2 TYR A 39 76.555 -6.232 -0.955 1.00 0.00 C ATOM 564 CZ TYR A 39 77.606 -6.168 -0.033 1.00 0.00 C ATOM 565 OH TYR A 39 78.437 -5.066 -0.010 1.00 0.00 O ATOM 0 H TYR A 39 76.089 -10.767 -2.122 1.00 0.00 H new ATOM 0 HA TYR A 39 76.520 -10.832 0.767 1.00 0.00 H new ATOM 0 HB2 TYR A 39 74.398 -9.587 -1.030 1.00 0.00 H new ATOM 0 HB3 TYR A 39 74.292 -9.551 0.719 1.00 0.00 H new ATOM 0 HD1 TYR A 39 77.131 -9.149 1.536 1.00 0.00 H new ATOM 0 HD2 TYR A 39 74.902 -7.398 -1.692 1.00 0.00 H new ATOM 0 HE1 TYR A 39 78.627 -7.172 1.574 1.00 0.00 H new ATOM 0 HE2 TYR A 39 76.394 -5.419 -1.647 1.00 0.00 H new ATOM 0 HH TYR A 39 78.315 -4.547 -0.832 1.00 0.00 H new ATOM 575 N ASP A 40 74.707 -12.408 1.511 1.00 0.00 N ATOM 576 CA ASP A 40 73.821 -13.497 1.908 1.00 0.00 C ATOM 577 C ASP A 40 72.451 -12.954 2.285 1.00 0.00 C ATOM 578 O ASP A 40 71.455 -13.203 1.606 1.00 0.00 O ATOM 579 CB ASP A 40 74.404 -14.252 3.104 1.00 0.00 C ATOM 580 CG ASP A 40 75.297 -15.383 2.607 1.00 0.00 C ATOM 581 OD1 ASP A 40 76.383 -15.090 2.136 1.00 0.00 O ATOM 582 OD2 ASP A 40 74.882 -16.526 2.703 1.00 0.00 O ATOM 0 H ASP A 40 75.198 -11.956 2.282 1.00 0.00 H new ATOM 0 HA ASP A 40 73.723 -14.178 1.062 1.00 0.00 H new ATOM 0 HB2 ASP A 40 74.978 -13.571 3.732 1.00 0.00 H new ATOM 0 HB3 ASP A 40 73.600 -14.654 3.721 1.00 0.00 H new ATOM 587 N SER A 41 72.418 -12.203 3.382 1.00 0.00 N ATOM 588 CA SER A 41 71.173 -11.609 3.871 1.00 0.00 C ATOM 589 C SER A 41 71.407 -10.965 5.232 1.00 0.00 C ATOM 590 O SER A 41 70.836 -9.923 5.550 1.00 0.00 O ATOM 591 CB SER A 41 70.070 -12.666 4.009 1.00 0.00 C ATOM 592 OG SER A 41 69.323 -12.725 2.801 1.00 0.00 O ATOM 0 H SER A 41 73.238 -11.990 3.951 1.00 0.00 H new ATOM 0 HA SER A 41 70.855 -10.859 3.147 1.00 0.00 H new ATOM 0 HB2 SER A 41 70.509 -13.640 4.227 1.00 0.00 H new ATOM 0 HB3 SER A 41 69.415 -12.418 4.844 1.00 0.00 H new ATOM 0 HG SER A 41 69.841 -13.201 2.119 1.00 0.00 H new ATOM 598 N LEU A 42 72.265 -11.598 6.029 1.00 0.00 N ATOM 599 CA LEU A 42 72.583 -11.093 7.355 1.00 0.00 C ATOM 600 C LEU A 42 73.200 -9.694 7.248 1.00 0.00 C ATOM 601 O LEU A 42 72.838 -8.781 7.990 1.00 0.00 O ATOM 602 CB LEU A 42 73.546 -12.074 8.051 1.00 0.00 C ATOM 603 CG LEU A 42 74.460 -11.487 9.127 1.00 0.00 C ATOM 604 CD1 LEU A 42 73.621 -11.032 10.323 1.00 0.00 C ATOM 605 CD2 LEU A 42 75.464 -12.549 9.582 1.00 0.00 C ATOM 0 H LEU A 42 72.750 -12.459 5.777 1.00 0.00 H new ATOM 0 HA LEU A 42 71.674 -11.013 7.951 1.00 0.00 H new ATOM 0 HB2 LEU A 42 72.954 -12.870 8.503 1.00 0.00 H new ATOM 0 HB3 LEU A 42 74.172 -12.537 7.288 1.00 0.00 H new ATOM 0 HG LEU A 42 74.997 -10.632 8.716 1.00 0.00 H new ATOM 0 HD11 LEU A 42 74.275 -10.614 11.088 1.00 0.00 H new ATOM 0 HD12 LEU A 42 72.909 -10.273 10.000 1.00 0.00 H new ATOM 0 HD13 LEU A 42 73.081 -11.885 10.734 1.00 0.00 H new ATOM 0 HD21 LEU A 42 76.115 -12.129 10.349 1.00 0.00 H new ATOM 0 HD22 LEU A 42 74.928 -13.406 9.990 1.00 0.00 H new ATOM 0 HD23 LEU A 42 76.065 -12.869 8.731 1.00 0.00 H new ATOM 617 N ALA A 43 74.128 -9.538 6.307 1.00 0.00 N ATOM 618 CA ALA A 43 74.781 -8.247 6.104 1.00 0.00 C ATOM 619 C ALA A 43 73.774 -7.229 5.592 1.00 0.00 C ATOM 620 O ALA A 43 73.848 -6.048 5.925 1.00 0.00 O ATOM 621 CB ALA A 43 75.923 -8.375 5.096 1.00 0.00 C ATOM 0 H ALA A 43 74.442 -10.279 5.680 1.00 0.00 H new ATOM 0 HA ALA A 43 75.185 -7.915 7.060 1.00 0.00 H new ATOM 0 HB1 ALA A 43 76.397 -7.403 4.958 1.00 0.00 H new ATOM 0 HB2 ALA A 43 76.659 -9.088 5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 43 75.529 -8.725 4.142 1.00 0.00 H new ATOM 627 N LEU A 44 72.824 -7.703 4.794 1.00 0.00 N ATOM 628 CA LEU A 44 71.791 -6.829 4.251 1.00 0.00 C ATOM 629 C LEU A 44 70.818 -6.451 5.359 1.00 0.00 C ATOM 630 O LEU A 44 70.360 -5.313 5.455 1.00 0.00 O ATOM 631 CB LEU A 44 71.035 -7.537 3.130 1.00 0.00 C ATOM 632 CG LEU A 44 71.634 -7.334 1.743 1.00 0.00 C ATOM 633 CD1 LEU A 44 70.975 -8.292 0.751 1.00 0.00 C ATOM 634 CD2 LEU A 44 71.394 -5.889 1.309 1.00 0.00 C ATOM 0 H LEU A 44 72.748 -8.680 4.510 1.00 0.00 H new ATOM 0 HA LEU A 44 72.260 -5.931 3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 44 71.004 -8.605 3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 44 70.004 -7.183 3.123 1.00 0.00 H new ATOM 0 HG LEU A 44 72.705 -7.537 1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 44 71.406 -8.144 -0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 44 71.145 -9.320 1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 44 69.903 -8.096 0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 44 71.818 -5.732 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 44 70.323 -5.691 1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 44 71.870 -5.212 2.019 1.00 0.00 H new ATOM 646 N LEU A 45 70.523 -7.434 6.202 1.00 0.00 N ATOM 647 CA LEU A 45 69.614 -7.235 7.332 1.00 0.00 C ATOM 648 C LEU A 45 70.098 -6.082 8.212 1.00 0.00 C ATOM 649 O LEU A 45 69.347 -5.156 8.518 1.00 0.00 O ATOM 650 CB LEU A 45 69.526 -8.521 8.167 1.00 0.00 C ATOM 651 CG LEU A 45 68.827 -8.395 9.527 1.00 0.00 C ATOM 652 CD1 LEU A 45 67.466 -7.719 9.350 1.00 0.00 C ATOM 653 CD2 LEU A 45 68.627 -9.789 10.127 1.00 0.00 C ATOM 0 H LEU A 45 70.899 -8.379 6.127 1.00 0.00 H new ATOM 0 HA LEU A 45 68.626 -6.989 6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 45 69.002 -9.276 7.581 1.00 0.00 H new ATOM 0 HB3 LEU A 45 70.537 -8.892 8.334 1.00 0.00 H new ATOM 0 HG LEU A 45 69.444 -7.793 10.194 1.00 0.00 H new ATOM 0 HD11 LEU A 45 66.974 -7.632 10.319 1.00 0.00 H new ATOM 0 HD12 LEU A 45 67.606 -6.726 8.924 1.00 0.00 H new ATOM 0 HD13 LEU A 45 66.847 -8.317 8.681 1.00 0.00 H new ATOM 0 HD21 LEU A 45 68.130 -9.701 11.093 1.00 0.00 H new ATOM 0 HD22 LEU A 45 68.012 -10.389 9.456 1.00 0.00 H new ATOM 0 HD23 LEU A 45 69.596 -10.271 10.259 1.00 0.00 H new ATOM 665 N ASN A 46 71.364 -6.150 8.611 1.00 0.00 N ATOM 666 CA ASN A 46 71.949 -5.107 9.453 1.00 0.00 C ATOM 667 C ASN A 46 71.901 -3.763 8.735 1.00 0.00 C ATOM 668 O ASN A 46 71.450 -2.760 9.288 1.00 0.00 O ATOM 669 CB ASN A 46 73.405 -5.434 9.786 1.00 0.00 C ATOM 670 CG ASN A 46 73.477 -6.786 10.486 1.00 0.00 C ATOM 671 OD1 ASN A 46 74.182 -7.743 9.951 1.00 0.00 O flip ATOM 672 ND2 ASN A 46 72.879 -6.978 11.544 1.00 0.00 N flip ATOM 0 H ASN A 46 72.002 -6.908 8.369 1.00 0.00 H new ATOM 0 HA ASN A 46 71.370 -5.056 10.375 1.00 0.00 H new ATOM 0 HB2 ASN A 46 74.002 -5.453 8.874 1.00 0.00 H new ATOM 0 HB3 ASN A 46 73.825 -4.659 10.426 1.00 0.00 H new ATOM 0 HD21 ASN A 46 72.328 -6.228 11.962 1.00 0.00 H new ATOM 0 HD22 ASN A 46 72.935 -7.887 12.004 1.00 0.00 H new ATOM 679 N THR A 47 72.369 -3.762 7.488 1.00 0.00 N ATOM 680 CA THR A 47 72.377 -2.542 6.675 1.00 0.00 C ATOM 681 C THR A 47 70.982 -1.925 6.608 1.00 0.00 C ATOM 682 O THR A 47 70.788 -0.750 6.917 1.00 0.00 O ATOM 683 CB THR A 47 72.840 -2.864 5.251 1.00 0.00 C ATOM 684 OG1 THR A 47 72.538 -4.206 4.969 1.00 0.00 O ATOM 685 CG2 THR A 47 74.343 -2.634 5.128 1.00 0.00 C ATOM 0 H THR A 47 72.746 -4.586 7.019 1.00 0.00 H new ATOM 0 HA THR A 47 73.062 -1.833 7.140 1.00 0.00 H new ATOM 0 HB THR A 47 72.328 -2.213 4.542 1.00 0.00 H new ATOM 0 HG1 THR A 47 73.316 -4.766 5.173 1.00 0.00 H new ATOM 0 HG21 THR A 47 74.665 -2.865 4.112 1.00 0.00 H new ATOM 0 HG22 THR A 47 74.571 -1.592 5.353 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.869 -3.280 5.831 1.00 0.00 H new ATOM 693 N VAL A 48 70.016 -2.739 6.196 1.00 0.00 N ATOM 694 CA VAL A 48 68.632 -2.280 6.086 1.00 0.00 C ATOM 695 C VAL A 48 68.121 -1.794 7.440 1.00 0.00 C ATOM 696 O VAL A 48 67.296 -0.884 7.516 1.00 0.00 O ATOM 697 CB VAL A 48 67.728 -3.413 5.582 1.00 0.00 C ATOM 698 CG1 VAL A 48 66.311 -2.880 5.346 1.00 0.00 C ATOM 699 CG2 VAL A 48 68.286 -3.967 4.265 1.00 0.00 C ATOM 0 H VAL A 48 70.162 -3.714 5.934 1.00 0.00 H new ATOM 0 HA VAL A 48 68.607 -1.455 5.374 1.00 0.00 H new ATOM 0 HB VAL A 48 67.697 -4.205 6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 48 65.673 -3.688 4.988 1.00 0.00 H new ATOM 0 HG12 VAL A 48 65.910 -2.487 6.280 1.00 0.00 H new ATOM 0 HG13 VAL A 48 66.341 -2.085 4.601 1.00 0.00 H new ATOM 0 HG21 VAL A 48 67.644 -4.772 3.908 1.00 0.00 H new ATOM 0 HG22 VAL A 48 68.319 -3.171 3.521 1.00 0.00 H new ATOM 0 HG23 VAL A 48 69.292 -4.352 4.430 1.00 0.00 H new ATOM 709 N GLY A 49 68.625 -2.410 8.508 1.00 0.00 N ATOM 710 CA GLY A 49 68.218 -2.039 9.864 1.00 0.00 C ATOM 711 C GLY A 49 68.484 -0.558 10.132 1.00 0.00 C ATOM 712 O GLY A 49 67.615 0.171 10.616 1.00 0.00 O ATOM 0 H GLY A 49 69.311 -3.163 8.463 1.00 0.00 H new ATOM 0 HA2 GLY A 49 67.158 -2.252 10.000 1.00 0.00 H new ATOM 0 HA3 GLY A 49 68.760 -2.646 10.589 1.00 0.00 H new ATOM 716 N ARG A 50 69.699 -0.122 9.816 1.00 0.00 N ATOM 717 CA ARG A 50 70.073 1.270 10.033 1.00 0.00 C ATOM 718 C ARG A 50 69.272 2.185 9.115 1.00 0.00 C ATOM 719 O ARG A 50 68.933 3.309 9.482 1.00 0.00 O ATOM 720 CB ARG A 50 71.565 1.473 9.764 1.00 0.00 C ATOM 721 CG ARG A 50 71.978 2.880 10.204 1.00 0.00 C ATOM 722 CD ARG A 50 73.501 3.013 10.132 1.00 0.00 C ATOM 723 NE ARG A 50 73.882 4.373 9.746 1.00 0.00 N ATOM 724 CZ ARG A 50 75.107 4.666 9.284 1.00 0.00 C ATOM 725 NH1 ARG A 50 76.026 3.740 9.157 1.00 0.00 N ATOM 726 NH2 ARG A 50 75.389 5.898 8.955 1.00 0.00 N ATOM 0 H ARG A 50 70.433 -0.705 9.414 1.00 0.00 H new ATOM 0 HA ARG A 50 69.857 1.518 11.072 1.00 0.00 H new ATOM 0 HB2 ARG A 50 72.147 0.726 10.304 1.00 0.00 H new ATOM 0 HB3 ARG A 50 71.776 1.336 8.703 1.00 0.00 H new ATOM 0 HG2 ARG A 50 71.507 3.625 9.563 1.00 0.00 H new ATOM 0 HG3 ARG A 50 71.634 3.070 11.221 1.00 0.00 H new ATOM 0 HD2 ARG A 50 73.939 2.768 11.100 1.00 0.00 H new ATOM 0 HD3 ARG A 50 73.900 2.299 9.411 1.00 0.00 H new ATOM 0 HE ARG A 50 73.194 5.121 9.831 1.00 0.00 H new ATOM 0 HH11 ARG A 50 75.816 2.775 9.412 1.00 0.00 H new ATOM 0 HH12 ARG A 50 76.951 3.985 8.804 1.00 0.00 H new ATOM 0 HH21 ARG A 50 74.681 6.626 9.050 1.00 0.00 H new ATOM 0 HH22 ARG A 50 76.317 6.132 8.603 1.00 0.00 H new ATOM 740 N ILE A 51 68.977 1.693 7.918 1.00 0.00 N ATOM 741 CA ILE A 51 68.216 2.477 6.950 1.00 0.00 C ATOM 742 C ILE A 51 66.768 2.629 7.407 1.00 0.00 C ATOM 743 O ILE A 51 66.211 3.725 7.382 1.00 0.00 O ATOM 744 CB ILE A 51 68.251 1.807 5.571 1.00 0.00 C ATOM 745 CG1 ILE A 51 69.709 1.582 5.153 1.00 0.00 C ATOM 746 CG2 ILE A 51 67.567 2.706 4.537 1.00 0.00 C ATOM 747 CD1 ILE A 51 69.799 0.378 4.211 1.00 0.00 C ATOM 0 H ILE A 51 69.249 0.764 7.595 1.00 0.00 H new ATOM 0 HA ILE A 51 68.673 3.464 6.878 1.00 0.00 H new ATOM 0 HB ILE A 51 67.727 0.853 5.624 1.00 0.00 H new ATOM 0 HG12 ILE A 51 70.096 2.472 4.658 1.00 0.00 H new ATOM 0 HG13 ILE A 51 70.328 1.413 6.034 1.00 0.00 H new ATOM 0 HG21 ILE A 51 67.596 2.224 3.560 1.00 0.00 H new ATOM 0 HG22 ILE A 51 66.530 2.873 4.829 1.00 0.00 H new ATOM 0 HG23 ILE A 51 68.088 3.662 4.485 1.00 0.00 H new ATOM 0 HD11 ILE A 51 70.837 0.223 3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 51 69.429 -0.512 4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 51 69.195 0.565 3.323 1.00 0.00 H new ATOM 759 N GLU A 52 66.160 1.519 7.820 1.00 0.00 N ATOM 760 CA GLU A 52 64.772 1.562 8.272 1.00 0.00 C ATOM 761 C GLU A 52 64.625 2.467 9.493 1.00 0.00 C ATOM 762 O GLU A 52 63.546 2.993 9.757 1.00 0.00 O ATOM 763 CB GLU A 52 64.256 0.156 8.612 1.00 0.00 C ATOM 764 CG GLU A 52 65.093 -0.456 9.737 1.00 0.00 C ATOM 765 CD GLU A 52 64.361 -1.660 10.318 1.00 0.00 C ATOM 766 OE1 GLU A 52 63.568 -1.466 11.225 1.00 0.00 O ATOM 767 OE2 GLU A 52 64.604 -2.760 9.848 1.00 0.00 O ATOM 0 H GLU A 52 66.596 0.597 7.851 1.00 0.00 H new ATOM 0 HA GLU A 52 64.176 1.967 7.454 1.00 0.00 H new ATOM 0 HB2 GLU A 52 63.210 0.208 8.914 1.00 0.00 H new ATOM 0 HB3 GLU A 52 64.302 -0.480 7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 52 66.068 -0.759 9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 52 65.272 0.285 10.516 1.00 0.00 H new ATOM 774 N ARG A 53 65.712 2.644 10.242 1.00 0.00 N ATOM 775 CA ARG A 53 65.662 3.492 11.430 1.00 0.00 C ATOM 776 C ARG A 53 66.131 4.907 11.107 1.00 0.00 C ATOM 777 O ARG A 53 65.610 5.885 11.642 1.00 0.00 O ATOM 778 CB ARG A 53 66.541 2.915 12.540 1.00 0.00 C ATOM 779 CG ARG A 53 66.271 3.663 13.846 1.00 0.00 C ATOM 780 CD ARG A 53 67.477 3.520 14.776 1.00 0.00 C ATOM 781 NE ARG A 53 67.110 3.855 16.153 1.00 0.00 N ATOM 782 CZ ARG A 53 68.028 3.999 17.121 1.00 0.00 C ATOM 783 NH1 ARG A 53 69.306 3.845 16.873 1.00 0.00 N ATOM 784 NH2 ARG A 53 67.640 4.298 18.331 1.00 0.00 N ATOM 0 H ARG A 53 66.621 2.221 10.053 1.00 0.00 H new ATOM 0 HA ARG A 53 64.626 3.526 11.768 1.00 0.00 H new ATOM 0 HB2 ARG A 53 66.333 1.853 12.668 1.00 0.00 H new ATOM 0 HB3 ARG A 53 67.593 3.004 12.269 1.00 0.00 H new ATOM 0 HG2 ARG A 53 66.080 4.716 13.641 1.00 0.00 H new ATOM 0 HG3 ARG A 53 65.378 3.265 14.328 1.00 0.00 H new ATOM 0 HD2 ARG A 53 67.856 2.499 14.733 1.00 0.00 H new ATOM 0 HD3 ARG A 53 68.282 4.174 14.439 1.00 0.00 H new ATOM 0 HE ARG A 53 66.125 3.983 16.384 1.00 0.00 H new ATOM 0 HH11 ARG A 53 69.618 3.611 15.930 1.00 0.00 H new ATOM 0 HH12 ARG A 53 69.988 3.959 17.623 1.00 0.00 H new ATOM 0 HH21 ARG A 53 66.648 4.420 18.533 1.00 0.00 H new ATOM 0 HH22 ARG A 53 68.329 4.410 19.075 1.00 0.00 H new ATOM 798 N ASP A 54 67.125 5.006 10.231 1.00 0.00 N ATOM 799 CA ASP A 54 67.664 6.304 9.849 1.00 0.00 C ATOM 800 C ASP A 54 66.724 7.018 8.884 1.00 0.00 C ATOM 801 O ASP A 54 66.562 8.237 8.941 1.00 0.00 O ATOM 802 CB ASP A 54 69.026 6.138 9.177 1.00 0.00 C ATOM 803 CG ASP A 54 70.091 5.883 10.239 1.00 0.00 C ATOM 804 OD1 ASP A 54 69.817 5.126 11.155 1.00 0.00 O ATOM 805 OD2 ASP A 54 71.165 6.448 10.119 1.00 0.00 O ATOM 0 H ASP A 54 67.570 4.209 9.776 1.00 0.00 H new ATOM 0 HA ASP A 54 67.770 6.899 10.756 1.00 0.00 H new ATOM 0 HB2 ASP A 54 68.996 5.308 8.471 1.00 0.00 H new ATOM 0 HB3 ASP A 54 69.273 7.033 8.607 1.00 0.00 H new ATOM 810 N TYR A 55 66.117 6.247 7.987 1.00 0.00 N ATOM 811 CA TYR A 55 65.205 6.822 7.001 1.00 0.00 C ATOM 812 C TYR A 55 63.743 6.621 7.406 1.00 0.00 C ATOM 813 O TYR A 55 62.864 7.365 6.969 1.00 0.00 O ATOM 814 CB TYR A 55 65.436 6.189 5.627 1.00 0.00 C ATOM 815 CG TYR A 55 66.634 6.836 4.974 1.00 0.00 C ATOM 816 CD1 TYR A 55 66.549 8.152 4.503 1.00 0.00 C ATOM 817 CD2 TYR A 55 67.831 6.121 4.838 1.00 0.00 C ATOM 818 CE1 TYR A 55 67.659 8.753 3.897 1.00 0.00 C ATOM 819 CE2 TYR A 55 68.940 6.723 4.233 1.00 0.00 C ATOM 820 CZ TYR A 55 68.856 8.037 3.762 1.00 0.00 C ATOM 821 OH TYR A 55 69.950 8.630 3.165 1.00 0.00 O ATOM 0 H TYR A 55 66.237 5.236 7.921 1.00 0.00 H new ATOM 0 HA TYR A 55 65.410 7.891 6.954 1.00 0.00 H new ATOM 0 HB2 TYR A 55 65.599 5.116 5.731 1.00 0.00 H new ATOM 0 HB3 TYR A 55 64.553 6.318 5.001 1.00 0.00 H new ATOM 0 HD1 TYR A 55 65.627 8.704 4.607 1.00 0.00 H new ATOM 0 HD2 TYR A 55 67.898 5.106 5.200 1.00 0.00 H new ATOM 0 HE1 TYR A 55 67.593 9.768 3.534 1.00 0.00 H new ATOM 0 HE2 TYR A 55 69.863 6.172 4.130 1.00 0.00 H new ATOM 0 HH TYR A 55 70.256 8.075 2.417 1.00 0.00 H new ATOM 831 N GLY A 56 63.482 5.617 8.243 1.00 0.00 N ATOM 832 CA GLY A 56 62.112 5.357 8.683 1.00 0.00 C ATOM 833 C GLY A 56 61.275 4.769 7.550 1.00 0.00 C ATOM 834 O GLY A 56 60.113 5.132 7.367 1.00 0.00 O ATOM 0 H GLY A 56 64.184 4.983 8.623 1.00 0.00 H new ATOM 0 HA2 GLY A 56 62.122 4.668 9.528 1.00 0.00 H new ATOM 0 HA3 GLY A 56 61.657 6.283 9.033 1.00 0.00 H new ATOM 838 N VAL A 57 61.874 3.854 6.790 1.00 0.00 N ATOM 839 CA VAL A 57 61.168 3.223 5.677 1.00 0.00 C ATOM 840 C VAL A 57 60.223 2.137 6.196 1.00 0.00 C ATOM 841 O VAL A 57 60.554 1.393 7.119 1.00 0.00 O ATOM 842 CB VAL A 57 62.172 2.617 4.676 1.00 0.00 C ATOM 843 CG1 VAL A 57 62.986 1.496 5.342 1.00 0.00 C ATOM 844 CG2 VAL A 57 61.421 2.057 3.459 1.00 0.00 C ATOM 0 H VAL A 57 62.834 3.536 6.922 1.00 0.00 H new ATOM 0 HA VAL A 57 60.581 3.985 5.164 1.00 0.00 H new ATOM 0 HB VAL A 57 62.856 3.402 4.351 1.00 0.00 H new ATOM 0 HG11 VAL A 57 63.690 1.080 4.621 1.00 0.00 H new ATOM 0 HG12 VAL A 57 63.535 1.901 6.192 1.00 0.00 H new ATOM 0 HG13 VAL A 57 62.312 0.712 5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 57 62.136 1.630 2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 57 60.726 1.283 3.785 1.00 0.00 H new ATOM 0 HG23 VAL A 57 60.868 2.860 2.972 1.00 0.00 H new ATOM 854 N GLN A 58 59.039 2.058 5.593 1.00 0.00 N ATOM 855 CA GLN A 58 58.053 1.062 6.003 1.00 0.00 C ATOM 856 C GLN A 58 56.816 1.133 5.111 1.00 0.00 C ATOM 857 O GLN A 58 55.798 1.721 5.478 1.00 0.00 O ATOM 858 CB GLN A 58 57.636 1.289 7.458 1.00 0.00 C ATOM 859 CG GLN A 58 56.958 0.027 7.997 1.00 0.00 C ATOM 860 CD GLN A 58 58.010 -0.898 8.600 1.00 0.00 C ATOM 861 OE1 GLN A 58 59.047 -1.154 7.988 1.00 0.00 O ATOM 862 NE2 GLN A 58 57.804 -1.422 9.777 1.00 0.00 N ATOM 0 H GLN A 58 58.742 2.664 4.828 1.00 0.00 H new ATOM 0 HA GLN A 58 58.511 0.077 5.907 1.00 0.00 H new ATOM 0 HB2 GLN A 58 58.509 1.533 8.064 1.00 0.00 H new ATOM 0 HB3 GLN A 58 56.955 2.137 7.524 1.00 0.00 H new ATOM 0 HG2 GLN A 58 56.217 0.293 8.751 1.00 0.00 H new ATOM 0 HG3 GLN A 58 56.426 -0.484 7.194 1.00 0.00 H new ATOM 0 HE21 GLN A 58 56.946 -1.211 10.286 1.00 0.00 H new ATOM 0 HE22 GLN A 58 58.501 -2.042 10.188 1.00 0.00 H new ATOM 871 N LEU A 59 56.915 0.520 3.934 1.00 0.00 N ATOM 872 CA LEU A 59 55.794 0.513 2.994 1.00 0.00 C ATOM 873 C LEU A 59 55.510 -0.904 2.481 1.00 0.00 C ATOM 874 O LEU A 59 54.874 -1.079 1.442 1.00 0.00 O ATOM 875 CB LEU A 59 56.088 1.440 1.805 1.00 0.00 C ATOM 876 CG LEU A 59 57.081 0.904 0.765 1.00 0.00 C ATOM 877 CD1 LEU A 59 57.194 1.897 -0.394 1.00 0.00 C ATOM 878 CD2 LEU A 59 58.455 0.720 1.413 1.00 0.00 C ATOM 0 H LEU A 59 57.747 0.028 3.610 1.00 0.00 H new ATOM 0 HA LEU A 59 54.913 0.873 3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 59 55.147 1.661 1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 59 56.471 2.384 2.192 1.00 0.00 H new ATOM 0 HG LEU A 59 56.726 -0.056 0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 59 57.899 1.516 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 59 56.217 2.026 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 59 57.547 2.857 -0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 59 59.158 0.339 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 59 58.810 1.678 1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 59 58.377 0.011 2.237 1.00 0.00 H new ATOM 890 N GLY A 60 55.988 -1.912 3.212 1.00 0.00 N ATOM 891 CA GLY A 60 55.774 -3.295 2.808 1.00 0.00 C ATOM 892 C GLY A 60 56.781 -4.219 3.485 1.00 0.00 C ATOM 893 O GLY A 60 57.992 -4.068 3.322 1.00 0.00 O ATOM 0 H GLY A 60 56.519 -1.796 4.075 1.00 0.00 H new ATOM 0 HA2 GLY A 60 54.761 -3.602 3.067 1.00 0.00 H new ATOM 0 HA3 GLY A 60 55.866 -3.381 1.725 1.00 0.00 H new ATOM 897 N ASP A 61 56.266 -5.178 4.248 1.00 0.00 N ATOM 898 CA ASP A 61 57.126 -6.125 4.951 1.00 0.00 C ATOM 899 C ASP A 61 57.836 -7.042 3.958 1.00 0.00 C ATOM 900 O ASP A 61 58.989 -7.425 4.159 1.00 0.00 O ATOM 901 CB ASP A 61 56.306 -6.979 5.919 1.00 0.00 C ATOM 902 CG ASP A 61 55.503 -6.072 6.845 1.00 0.00 C ATOM 903 OD1 ASP A 61 56.113 -5.246 7.505 1.00 0.00 O ATOM 904 OD2 ASP A 61 54.293 -6.216 6.881 1.00 0.00 O ATOM 0 H ASP A 61 55.267 -5.320 4.395 1.00 0.00 H new ATOM 0 HA ASP A 61 57.866 -5.553 5.510 1.00 0.00 H new ATOM 0 HB2 ASP A 61 55.635 -7.634 5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 61 56.966 -7.620 6.503 1.00 0.00 H new ATOM 909 N ASP A 62 57.135 -7.386 2.883 1.00 0.00 N ATOM 910 CA ASP A 62 57.706 -8.262 1.866 1.00 0.00 C ATOM 911 C ASP A 62 58.656 -7.507 0.933 1.00 0.00 C ATOM 912 O ASP A 62 59.245 -8.101 0.030 1.00 0.00 O ATOM 913 CB ASP A 62 56.600 -8.907 1.030 1.00 0.00 C ATOM 914 CG ASP A 62 55.692 -7.823 0.459 1.00 0.00 C ATOM 915 OD1 ASP A 62 55.085 -7.114 1.244 1.00 0.00 O ATOM 916 OD2 ASP A 62 55.619 -7.718 -0.754 1.00 0.00 O ATOM 0 H ASP A 62 56.182 -7.076 2.694 1.00 0.00 H new ATOM 0 HA ASP A 62 58.272 -9.031 2.392 1.00 0.00 H new ATOM 0 HB2 ASP A 62 57.036 -9.493 0.221 1.00 0.00 H new ATOM 0 HB3 ASP A 62 56.020 -9.595 1.645 1.00 0.00 H new ATOM 921 N ALA A 63 58.823 -6.200 1.160 1.00 0.00 N ATOM 922 CA ALA A 63 59.727 -5.405 0.331 1.00 0.00 C ATOM 923 C ALA A 63 61.133 -5.990 0.388 1.00 0.00 C ATOM 924 O ALA A 63 61.888 -5.941 -0.583 1.00 0.00 O ATOM 925 CB ALA A 63 59.775 -3.964 0.833 1.00 0.00 C ATOM 0 H ALA A 63 58.351 -5.679 1.899 1.00 0.00 H new ATOM 0 HA ALA A 63 59.358 -5.423 -0.695 1.00 0.00 H new ATOM 0 HB1 ALA A 63 60.452 -3.383 0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 63 58.776 -3.530 0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 63 60.131 -3.949 1.863 1.00 0.00 H new ATOM 931 N VAL A 64 61.466 -6.554 1.545 1.00 0.00 N ATOM 932 CA VAL A 64 62.779 -7.163 1.733 1.00 0.00 C ATOM 933 C VAL A 64 62.898 -8.432 0.891 1.00 0.00 C ATOM 934 O VAL A 64 63.992 -8.819 0.479 1.00 0.00 O ATOM 935 CB VAL A 64 63.002 -7.517 3.206 1.00 0.00 C ATOM 936 CG1 VAL A 64 64.448 -7.975 3.410 1.00 0.00 C ATOM 937 CG2 VAL A 64 62.734 -6.286 4.075 1.00 0.00 C ATOM 0 H VAL A 64 60.853 -6.602 2.359 1.00 0.00 H new ATOM 0 HA VAL A 64 63.534 -6.443 1.418 1.00 0.00 H new ATOM 0 HB VAL A 64 62.322 -8.320 3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 64 64.605 -8.227 4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 64 64.642 -8.852 2.793 1.00 0.00 H new ATOM 0 HG13 VAL A 64 65.128 -7.172 3.123 1.00 0.00 H new ATOM 0 HG21 VAL A 64 62.893 -6.539 5.123 1.00 0.00 H new ATOM 0 HG22 VAL A 64 63.413 -5.483 3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 64 61.704 -5.958 3.933 1.00 0.00 H new ATOM 947 N GLU A 65 61.759 -9.078 0.639 1.00 0.00 N ATOM 948 CA GLU A 65 61.750 -10.302 -0.154 1.00 0.00 C ATOM 949 C GLU A 65 61.997 -9.986 -1.625 1.00 0.00 C ATOM 950 O GLU A 65 62.906 -10.532 -2.249 1.00 0.00 O ATOM 951 CB GLU A 65 60.406 -11.020 -0.016 1.00 0.00 C ATOM 952 CG GLU A 65 60.583 -12.503 -0.349 1.00 0.00 C ATOM 953 CD GLU A 65 59.221 -13.187 -0.366 1.00 0.00 C ATOM 954 OE1 GLU A 65 58.516 -13.084 0.625 1.00 0.00 O ATOM 955 OE2 GLU A 65 58.902 -13.803 -1.370 1.00 0.00 O ATOM 0 H GLU A 65 60.842 -8.777 0.969 1.00 0.00 H new ATOM 0 HA GLU A 65 62.546 -10.948 0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 65 60.024 -10.907 0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 65 59.672 -10.571 -0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 65 61.069 -12.613 -1.318 1.00 0.00 H new ATOM 0 HG3 GLU A 65 61.231 -12.977 0.388 1.00 0.00 H new ATOM 962 N LYS A 66 61.171 -9.098 -2.174 1.00 0.00 N ATOM 963 CA LYS A 66 61.302 -8.713 -3.576 1.00 0.00 C ATOM 964 C LYS A 66 62.662 -8.069 -3.831 1.00 0.00 C ATOM 965 O LYS A 66 63.233 -8.201 -4.913 1.00 0.00 O ATOM 966 CB LYS A 66 60.202 -7.723 -3.964 1.00 0.00 C ATOM 967 CG LYS A 66 58.840 -8.414 -3.884 1.00 0.00 C ATOM 968 CD LYS A 66 58.603 -9.225 -5.159 1.00 0.00 C ATOM 969 CE LYS A 66 57.859 -8.363 -6.181 1.00 0.00 C ATOM 970 NZ LYS A 66 58.096 -8.901 -7.551 1.00 0.00 N ATOM 0 H LYS A 66 60.411 -8.636 -1.675 1.00 0.00 H new ATOM 0 HA LYS A 66 61.210 -9.615 -4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 66 60.223 -6.860 -3.298 1.00 0.00 H new ATOM 0 HB3 LYS A 66 60.374 -7.350 -4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 66 58.803 -9.068 -3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 66 58.051 -7.672 -3.760 1.00 0.00 H new ATOM 0 HD2 LYS A 66 59.555 -9.559 -5.573 1.00 0.00 H new ATOM 0 HD3 LYS A 66 58.023 -10.120 -4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 66 56.792 -8.358 -5.960 1.00 0.00 H new ATOM 0 HE3 LYS A 66 58.202 -7.330 -6.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 57.591 -8.315 -8.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 59.115 -8.884 -7.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 57.748 -9.880 -7.605 1.00 0.00 H new ATOM 984 N ALA A 67 63.172 -7.371 -2.821 1.00 0.00 N ATOM 985 CA ALA A 67 64.467 -6.706 -2.944 1.00 0.00 C ATOM 986 C ALA A 67 65.573 -7.725 -3.205 1.00 0.00 C ATOM 987 O ALA A 67 66.088 -8.355 -2.281 1.00 0.00 O ATOM 988 CB ALA A 67 64.798 -5.930 -1.668 1.00 0.00 C ATOM 0 H ALA A 67 62.715 -7.251 -1.917 1.00 0.00 H new ATOM 0 HA ALA A 67 64.406 -6.014 -3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 67 65.766 -5.442 -1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 67 64.030 -5.177 -1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 67 64.834 -6.618 -0.823 1.00 0.00 H new ATOM 994 N THR A 68 65.939 -7.869 -4.476 1.00 0.00 N ATOM 995 CA THR A 68 66.998 -8.803 -4.853 1.00 0.00 C ATOM 996 C THR A 68 68.266 -8.031 -5.221 1.00 0.00 C ATOM 997 O THR A 68 69.383 -8.498 -5.002 1.00 0.00 O ATOM 998 CB THR A 68 66.565 -9.685 -6.034 1.00 0.00 C ATOM 999 OG1 THR A 68 67.596 -10.618 -6.325 1.00 0.00 O ATOM 1000 CG2 THR A 68 66.291 -8.829 -7.275 1.00 0.00 C ATOM 0 H THR A 68 65.524 -7.358 -5.255 1.00 0.00 H new ATOM 0 HA THR A 68 67.200 -9.450 -3.999 1.00 0.00 H new ATOM 0 HB THR A 68 65.650 -10.211 -5.762 1.00 0.00 H new ATOM 0 HG1 THR A 68 67.323 -11.184 -7.077 1.00 0.00 H new ATOM 0 HG21 THR A 68 65.986 -9.472 -8.100 1.00 0.00 H new ATOM 0 HG22 THR A 68 65.496 -8.116 -7.057 1.00 0.00 H new ATOM 0 HG23 THR A 68 67.196 -8.289 -7.552 1.00 0.00 H new ATOM 1008 N THR A 69 68.072 -6.835 -5.771 1.00 0.00 N ATOM 1009 CA THR A 69 69.192 -5.983 -6.158 1.00 0.00 C ATOM 1010 C THR A 69 69.229 -4.761 -5.237 1.00 0.00 C ATOM 1011 O THR A 69 68.282 -4.526 -4.484 1.00 0.00 O ATOM 1012 CB THR A 69 69.039 -5.509 -7.617 1.00 0.00 C ATOM 1013 OG1 THR A 69 67.716 -5.772 -8.070 1.00 0.00 O ATOM 1014 CG2 THR A 69 70.035 -6.245 -8.514 1.00 0.00 C ATOM 0 H THR A 69 67.152 -6.435 -5.958 1.00 0.00 H new ATOM 0 HA THR A 69 70.116 -6.555 -6.071 1.00 0.00 H new ATOM 0 HB THR A 69 69.236 -4.438 -7.663 1.00 0.00 H new ATOM 0 HG1 THR A 69 67.621 -5.468 -8.997 1.00 0.00 H new ATOM 0 HG21 THR A 69 69.919 -5.904 -9.543 1.00 0.00 H new ATOM 0 HG22 THR A 69 71.050 -6.039 -8.175 1.00 0.00 H new ATOM 0 HG23 THR A 69 69.846 -7.317 -8.464 1.00 0.00 H new ATOM 1022 N PRO A 70 70.295 -3.950 -5.287 1.00 0.00 N ATOM 1023 CA PRO A 70 70.376 -2.753 -4.436 1.00 0.00 C ATOM 1024 C PRO A 70 69.365 -1.706 -4.875 1.00 0.00 C ATOM 1025 O PRO A 70 68.724 -1.056 -4.052 1.00 0.00 O ATOM 1026 CB PRO A 70 71.811 -2.284 -4.647 1.00 0.00 C ATOM 1027 CG PRO A 70 72.260 -2.862 -5.978 1.00 0.00 C ATOM 1028 CD PRO A 70 71.458 -4.147 -6.186 1.00 0.00 C ATOM 0 HA PRO A 70 70.145 -2.943 -3.388 1.00 0.00 H new ATOM 0 HB2 PRO A 70 71.866 -1.195 -4.658 1.00 0.00 H new ATOM 0 HB3 PRO A 70 72.455 -2.628 -3.837 1.00 0.00 H new ATOM 0 HG2 PRO A 70 72.079 -2.156 -6.788 1.00 0.00 H new ATOM 0 HG3 PRO A 70 73.330 -3.070 -5.970 1.00 0.00 H new ATOM 0 HD2 PRO A 70 71.151 -4.270 -7.225 1.00 0.00 H new ATOM 0 HD3 PRO A 70 72.034 -5.033 -5.916 1.00 0.00 H new ATOM 1036 N ARG A 71 69.205 -1.576 -6.190 1.00 0.00 N ATOM 1037 CA ARG A 71 68.241 -0.628 -6.742 1.00 0.00 C ATOM 1038 C ARG A 71 66.834 -0.924 -6.216 1.00 0.00 C ATOM 1039 O ARG A 71 65.977 -0.041 -6.172 1.00 0.00 O ATOM 1040 CB ARG A 71 68.225 -0.708 -8.268 1.00 0.00 C ATOM 1041 CG ARG A 71 69.619 -0.396 -8.810 1.00 0.00 C ATOM 1042 CD ARG A 71 69.793 1.118 -8.928 1.00 0.00 C ATOM 1043 NE ARG A 71 70.856 1.438 -9.882 1.00 0.00 N ATOM 1044 CZ ARG A 71 71.154 2.700 -10.219 1.00 0.00 C ATOM 1045 NH1 ARG A 71 70.500 3.716 -9.706 1.00 0.00 N ATOM 1046 NH2 ARG A 71 72.114 2.924 -11.075 1.00 0.00 N ATOM 0 H ARG A 71 69.725 -2.109 -6.887 1.00 0.00 H new ATOM 0 HA ARG A 71 68.542 0.373 -6.432 1.00 0.00 H new ATOM 0 HB2 ARG A 71 67.913 -1.703 -8.587 1.00 0.00 H new ATOM 0 HB3 ARG A 71 67.500 -0.002 -8.672 1.00 0.00 H new ATOM 0 HG2 ARG A 71 70.379 -0.810 -8.147 1.00 0.00 H new ATOM 0 HG3 ARG A 71 69.756 -0.865 -9.784 1.00 0.00 H new ATOM 0 HD2 ARG A 71 68.857 1.574 -9.251 1.00 0.00 H new ATOM 0 HD3 ARG A 71 70.033 1.540 -7.952 1.00 0.00 H new ATOM 0 HE ARG A 71 71.387 0.676 -10.304 1.00 0.00 H new ATOM 0 HH11 ARG A 71 69.748 3.553 -9.036 1.00 0.00 H new ATOM 0 HH12 ARG A 71 70.744 4.669 -9.977 1.00 0.00 H new ATOM 0 HH21 ARG A 71 72.629 2.142 -11.480 1.00 0.00 H new ATOM 0 HH22 ARG A 71 72.349 3.881 -11.339 1.00 0.00 H new ATOM 1060 N ALA A 72 66.604 -2.177 -5.808 1.00 0.00 N ATOM 1061 CA ALA A 72 65.298 -2.563 -5.282 1.00 0.00 C ATOM 1062 C ALA A 72 65.074 -1.915 -3.923 1.00 0.00 C ATOM 1063 O ALA A 72 64.093 -1.204 -3.707 1.00 0.00 O ATOM 1064 CB ALA A 72 65.207 -4.082 -5.132 1.00 0.00 C ATOM 0 H ALA A 72 67.295 -2.927 -5.832 1.00 0.00 H new ATOM 0 HA ALA A 72 64.534 -2.226 -5.982 1.00 0.00 H new ATOM 0 HB1 ALA A 72 64.227 -4.351 -4.739 1.00 0.00 H new ATOM 0 HB2 ALA A 72 65.349 -4.553 -6.105 1.00 0.00 H new ATOM 0 HB3 ALA A 72 65.980 -4.427 -4.445 1.00 0.00 H new ATOM 1070 N LEU A 73 66.011 -2.164 -3.011 1.00 0.00 N ATOM 1071 CA LEU A 73 65.935 -1.598 -1.662 1.00 0.00 C ATOM 1072 C LEU A 73 65.841 -0.078 -1.734 1.00 0.00 C ATOM 1073 O LEU A 73 65.003 0.541 -1.078 1.00 0.00 O ATOM 1074 CB LEU A 73 67.174 -1.971 -0.846 1.00 0.00 C ATOM 1075 CG LEU A 73 67.491 -3.465 -0.792 1.00 0.00 C ATOM 1076 CD1 LEU A 73 68.911 -3.668 -0.258 1.00 0.00 C ATOM 1077 CD2 LEU A 73 66.495 -4.162 0.138 1.00 0.00 C ATOM 0 H LEU A 73 66.829 -2.751 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 73 65.047 -2.005 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 73 68.035 -1.448 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 73 67.042 -1.607 0.173 1.00 0.00 H new ATOM 0 HG LEU A 73 67.415 -3.889 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 73 69.136 -4.734 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 73 69.622 -3.170 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 73 68.987 -3.245 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.719 -5.228 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.573 -3.737 1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.483 -4.018 -0.240 1.00 0.00 H new ATOM 1089 N ILE A 74 66.707 0.514 -2.554 1.00 0.00 N ATOM 1090 CA ILE A 74 66.711 1.966 -2.725 1.00 0.00 C ATOM 1091 C ILE A 74 65.357 2.425 -3.264 1.00 0.00 C ATOM 1092 O ILE A 74 64.825 3.455 -2.856 1.00 0.00 O ATOM 1093 CB ILE A 74 67.816 2.402 -3.700 1.00 0.00 C ATOM 1094 CG1 ILE A 74 69.174 1.906 -3.197 1.00 0.00 C ATOM 1095 CG2 ILE A 74 67.850 3.931 -3.800 1.00 0.00 C ATOM 1096 CD1 ILE A 74 70.246 2.194 -4.253 1.00 0.00 C ATOM 0 H ILE A 74 67.408 0.018 -3.105 1.00 0.00 H new ATOM 0 HA ILE A 74 66.901 2.423 -1.754 1.00 0.00 H new ATOM 0 HB ILE A 74 67.608 1.976 -4.681 1.00 0.00 H new ATOM 0 HG12 ILE A 74 69.429 2.401 -2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 74 69.129 0.837 -2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 74 68.636 4.233 -4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 74 66.888 4.293 -4.162 1.00 0.00 H new ATOM 0 HG23 ILE A 74 68.051 4.356 -2.816 1.00 0.00 H new ATOM 0 HD11 ILE A 74 71.213 1.841 -3.895 1.00 0.00 H new ATOM 0 HD12 ILE A 74 69.992 1.679 -5.179 1.00 0.00 H new ATOM 0 HD13 ILE A 74 70.297 3.267 -4.437 1.00 0.00 H new ATOM 1108 N GLU A 75 64.804 1.639 -4.182 1.00 0.00 N ATOM 1109 CA GLU A 75 63.512 1.972 -4.767 1.00 0.00 C ATOM 1110 C GLU A 75 62.428 1.947 -3.697 1.00 0.00 C ATOM 1111 O GLU A 75 61.584 2.839 -3.624 1.00 0.00 O ATOM 1112 CB GLU A 75 63.149 0.979 -5.873 1.00 0.00 C ATOM 1113 CG GLU A 75 63.657 1.503 -7.217 1.00 0.00 C ATOM 1114 CD GLU A 75 62.625 2.450 -7.817 1.00 0.00 C ATOM 1115 OE1 GLU A 75 61.445 2.169 -7.688 1.00 0.00 O ATOM 1116 OE2 GLU A 75 63.028 3.445 -8.398 1.00 0.00 O ATOM 0 H GLU A 75 65.224 0.778 -4.533 1.00 0.00 H new ATOM 0 HA GLU A 75 63.581 2.973 -5.194 1.00 0.00 H new ATOM 0 HB2 GLU A 75 63.590 0.005 -5.661 1.00 0.00 H new ATOM 0 HB3 GLU A 75 62.069 0.839 -5.910 1.00 0.00 H new ATOM 0 HG2 GLU A 75 64.606 2.021 -7.082 1.00 0.00 H new ATOM 0 HG3 GLU A 75 63.842 0.671 -7.897 1.00 0.00 H new ATOM 1123 N MET A 76 62.469 0.915 -2.865 1.00 0.00 N ATOM 1124 CA MET A 76 61.493 0.775 -1.794 1.00 0.00 C ATOM 1125 C MET A 76 61.744 1.819 -0.710 1.00 0.00 C ATOM 1126 O MET A 76 60.810 2.322 -0.085 1.00 0.00 O ATOM 1127 CB MET A 76 61.588 -0.619 -1.177 1.00 0.00 C ATOM 1128 CG MET A 76 61.248 -1.671 -2.234 1.00 0.00 C ATOM 1129 SD MET A 76 59.455 -1.733 -2.470 1.00 0.00 S ATOM 1130 CE MET A 76 59.434 -3.050 -3.711 1.00 0.00 C ATOM 0 H MET A 76 63.162 0.168 -2.910 1.00 0.00 H new ATOM 0 HA MET A 76 60.498 0.922 -2.214 1.00 0.00 H new ATOM 0 HB2 MET A 76 62.593 -0.789 -0.790 1.00 0.00 H new ATOM 0 HB3 MET A 76 60.903 -0.702 -0.333 1.00 0.00 H new ATOM 0 HG2 MET A 76 61.741 -1.428 -3.175 1.00 0.00 H new ATOM 0 HG3 MET A 76 61.618 -2.648 -1.923 1.00 0.00 H new ATOM 0 HE1 MET A 76 58.405 -3.255 -4.006 1.00 0.00 H new ATOM 0 HE2 MET A 76 60.006 -2.736 -4.584 1.00 0.00 H new ATOM 0 HE3 MET A 76 59.878 -3.953 -3.291 1.00 0.00 H new ATOM 1140 N THR A 77 63.017 2.138 -0.495 1.00 0.00 N ATOM 1141 CA THR A 77 63.383 3.123 0.518 1.00 0.00 C ATOM 1142 C THR A 77 63.017 4.531 0.060 1.00 0.00 C ATOM 1143 O THR A 77 62.597 5.366 0.855 1.00 0.00 O ATOM 1144 CB THR A 77 64.887 3.065 0.805 1.00 0.00 C ATOM 1145 OG1 THR A 77 65.260 1.725 1.093 1.00 0.00 O ATOM 1146 CG2 THR A 77 65.217 3.955 2.006 1.00 0.00 C ATOM 0 H THR A 77 63.805 1.734 -1.002 1.00 0.00 H new ATOM 0 HA THR A 77 62.830 2.886 1.427 1.00 0.00 H new ATOM 0 HB THR A 77 65.436 3.419 -0.068 1.00 0.00 H new ATOM 0 HG1 THR A 77 65.479 1.260 0.259 1.00 0.00 H new ATOM 0 HG21 THR A 77 66.287 3.912 2.208 1.00 0.00 H new ATOM 0 HG22 THR A 77 64.930 4.983 1.786 1.00 0.00 H new ATOM 0 HG23 THR A 77 64.669 3.604 2.880 1.00 0.00 H new ATOM 1154 N ASN A 78 63.184 4.791 -1.233 1.00 0.00 N ATOM 1155 CA ASN A 78 62.869 6.110 -1.771 1.00 0.00 C ATOM 1156 C ASN A 78 61.371 6.247 -2.014 1.00 0.00 C ATOM 1157 O ASN A 78 60.794 7.314 -1.825 1.00 0.00 O ATOM 1158 CB ASN A 78 63.603 6.337 -3.091 1.00 0.00 C ATOM 1159 CG ASN A 78 65.063 6.667 -2.810 1.00 0.00 C ATOM 1160 OD1 ASN A 78 65.516 7.785 -3.055 1.00 0.00 O ATOM 1161 ND2 ASN A 78 65.836 5.755 -2.299 1.00 0.00 N ATOM 0 H ASN A 78 63.530 4.119 -1.918 1.00 0.00 H new ATOM 0 HA ASN A 78 63.189 6.853 -1.040 1.00 0.00 H new ATOM 0 HB2 ASN A 78 63.534 5.446 -3.716 1.00 0.00 H new ATOM 0 HB3 ASN A 78 63.135 7.151 -3.644 1.00 0.00 H new ATOM 0 HD21 ASN A 78 66.814 5.967 -2.102 1.00 0.00 H new ATOM 0 HD22 ASN A 78 65.464 4.827 -2.095 1.00 0.00 H new ATOM 1168 N ALA A 79 60.759 5.150 -2.441 1.00 0.00 N ATOM 1169 CA ALA A 79 59.327 5.136 -2.727 1.00 0.00 C ATOM 1170 C ALA A 79 58.521 5.441 -1.472 1.00 0.00 C ATOM 1171 O ALA A 79 57.499 6.126 -1.523 1.00 0.00 O ATOM 1172 CB ALA A 79 58.905 3.768 -3.263 1.00 0.00 C ATOM 0 H ALA A 79 61.230 4.259 -2.597 1.00 0.00 H new ATOM 0 HA ALA A 79 59.131 5.903 -3.477 1.00 0.00 H new ATOM 0 HB1 ALA A 79 57.835 3.773 -3.471 1.00 0.00 H new ATOM 0 HB2 ALA A 79 59.452 3.552 -4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 79 59.126 3.002 -2.520 1.00 0.00 H new ATOM 1178 N SER A 80 58.986 4.921 -0.344 1.00 0.00 N ATOM 1179 CA SER A 80 58.300 5.141 0.917 1.00 0.00 C ATOM 1180 C SER A 80 58.584 6.550 1.425 1.00 0.00 C ATOM 1181 O SER A 80 57.693 7.247 1.908 1.00 0.00 O ATOM 1182 CB SER A 80 58.743 4.102 1.954 1.00 0.00 C ATOM 1183 OG SER A 80 59.912 4.551 2.629 1.00 0.00 O ATOM 0 H SER A 80 59.828 4.349 -0.278 1.00 0.00 H new ATOM 0 HA SER A 80 57.227 5.033 0.757 1.00 0.00 H new ATOM 0 HB2 SER A 80 57.942 3.930 2.673 1.00 0.00 H new ATOM 0 HB3 SER A 80 58.941 3.149 1.463 1.00 0.00 H new ATOM 0 HG SER A 80 59.654 5.067 3.421 1.00 0.00 H new ATOM 1189 N LEU A 81 59.842 6.960 1.302 1.00 0.00 N ATOM 1190 CA LEU A 81 60.245 8.286 1.741 1.00 0.00 C ATOM 1191 C LEU A 81 59.581 9.359 0.886 1.00 0.00 C ATOM 1192 O LEU A 81 59.005 10.316 1.404 1.00 0.00 O ATOM 1193 CB LEU A 81 61.765 8.425 1.643 1.00 0.00 C ATOM 1194 CG LEU A 81 62.588 7.829 2.807 1.00 0.00 C ATOM 1195 CD1 LEU A 81 61.848 6.670 3.497 1.00 0.00 C ATOM 1196 CD2 LEU A 81 63.936 7.325 2.272 1.00 0.00 C ATOM 0 H LEU A 81 60.593 6.396 0.905 1.00 0.00 H new ATOM 0 HA LEU A 81 59.931 8.417 2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 81 62.092 7.952 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 81 62.006 9.485 1.562 1.00 0.00 H new ATOM 0 HG LEU A 81 62.741 8.616 3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 81 62.461 6.279 4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 81 60.901 7.031 3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 81 61.657 5.878 2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 81 64.518 6.904 3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 81 63.764 6.557 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 81 64.484 8.155 1.827 1.00 0.00 H new ATOM 1208 N THR A 82 59.666 9.191 -0.430 1.00 0.00 N ATOM 1209 CA THR A 82 59.064 10.162 -1.343 1.00 0.00 C ATOM 1210 C THR A 82 57.548 10.209 -1.148 1.00 0.00 C ATOM 1211 O THR A 82 56.916 11.251 -1.323 1.00 0.00 O ATOM 1212 CB THR A 82 59.386 9.816 -2.808 1.00 0.00 C ATOM 1213 OG1 THR A 82 58.877 10.840 -3.652 1.00 0.00 O ATOM 1214 CG2 THR A 82 58.753 8.475 -3.197 1.00 0.00 C ATOM 0 H THR A 82 60.136 8.408 -0.884 1.00 0.00 H new ATOM 0 HA THR A 82 59.487 11.141 -1.115 1.00 0.00 H new ATOM 0 HB THR A 82 60.467 9.738 -2.923 1.00 0.00 H new ATOM 0 HG1 THR A 82 59.081 10.625 -4.586 1.00 0.00 H new ATOM 0 HG21 THR A 82 58.992 8.248 -4.236 1.00 0.00 H new ATOM 0 HG22 THR A 82 59.145 7.687 -2.554 1.00 0.00 H new ATOM 0 HG23 THR A 82 57.671 8.535 -3.078 1.00 0.00 H new ATOM 1222 N GLY A 83 56.973 9.063 -0.786 1.00 0.00 N ATOM 1223 CA GLY A 83 55.531 8.982 -0.571 1.00 0.00 C ATOM 1224 C GLY A 83 55.142 9.609 0.763 1.00 0.00 C ATOM 1225 O GLY A 83 54.465 10.636 0.809 1.00 0.00 O ATOM 0 H GLY A 83 57.477 8.189 -0.637 1.00 0.00 H new ATOM 0 HA2 GLY A 83 55.010 9.491 -1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 83 55.214 7.939 -0.593 1.00 0.00 H new ATOM 1229 N ALA A 84 55.576 8.976 1.851 1.00 0.00 N ATOM 1230 CA ALA A 84 55.267 9.476 3.190 1.00 0.00 C ATOM 1231 C ALA A 84 53.757 9.499 3.413 1.00 0.00 C ATOM 1232 O ALA A 84 53.230 10.365 4.112 1.00 0.00 O ATOM 1233 CB ALA A 84 55.822 10.889 3.379 1.00 0.00 C ATOM 0 H ALA A 84 56.137 8.124 1.834 1.00 0.00 H new ATOM 0 HA ALA A 84 55.732 8.807 3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 84 55.582 11.243 4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 84 56.904 10.875 3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 84 55.376 11.557 2.642 1.00 0.00 H new ATOM 1239 N SER A 85 53.070 8.536 2.806 1.00 0.00 N ATOM 1240 CA SER A 85 51.618 8.448 2.938 1.00 0.00 C ATOM 1241 C SER A 85 51.137 7.039 2.573 1.00 0.00 C ATOM 1242 O SER A 85 51.860 6.285 1.922 1.00 0.00 O ATOM 1243 CB SER A 85 50.938 9.465 2.019 1.00 0.00 C ATOM 1244 OG SER A 85 51.019 9.013 0.674 1.00 0.00 O ATOM 0 H SER A 85 53.489 7.812 2.223 1.00 0.00 H new ATOM 0 HA SER A 85 51.355 8.664 3.973 1.00 0.00 H new ATOM 0 HB2 SER A 85 49.895 9.594 2.309 1.00 0.00 H new ATOM 0 HB3 SER A 85 51.418 10.439 2.117 1.00 0.00 H new ATOM 0 HG SER A 85 50.582 9.662 0.084 1.00 0.00 H new ATOM 1250 N PRO A 86 49.913 6.661 2.981 1.00 0.00 N ATOM 1251 CA PRO A 86 49.371 5.325 2.675 1.00 0.00 C ATOM 1252 C PRO A 86 48.784 5.239 1.268 1.00 0.00 C ATOM 1253 O PRO A 86 48.754 6.224 0.532 1.00 0.00 O ATOM 1254 CB PRO A 86 48.282 5.164 3.729 1.00 0.00 C ATOM 1255 CG PRO A 86 47.867 6.566 4.160 1.00 0.00 C ATOM 1256 CD PRO A 86 48.997 7.523 3.765 1.00 0.00 C ATOM 0 HA PRO A 86 50.135 4.548 2.698 1.00 0.00 H new ATOM 0 HB2 PRO A 86 47.431 4.618 3.323 1.00 0.00 H new ATOM 0 HB3 PRO A 86 48.651 4.592 4.581 1.00 0.00 H new ATOM 0 HG2 PRO A 86 46.934 6.855 3.677 1.00 0.00 H new ATOM 0 HG3 PRO A 86 47.694 6.601 5.236 1.00 0.00 H new ATOM 0 HD2 PRO A 86 48.627 8.360 3.173 1.00 0.00 H new ATOM 0 HD3 PRO A 86 49.492 7.945 4.640 1.00 0.00 H new ATOM 1264 N SER A 87 48.319 4.045 0.904 1.00 0.00 N ATOM 1265 CA SER A 87 47.735 3.832 -0.419 1.00 0.00 C ATOM 1266 C SER A 87 48.769 4.104 -1.507 1.00 0.00 C ATOM 1267 O SER A 87 49.728 4.847 -1.301 1.00 0.00 O ATOM 1268 CB SER A 87 46.531 4.751 -0.633 1.00 0.00 C ATOM 1269 OG SER A 87 45.729 4.237 -1.688 1.00 0.00 O ATOM 0 H SER A 87 48.335 3.218 1.500 1.00 0.00 H new ATOM 0 HA SER A 87 47.409 2.794 -0.477 1.00 0.00 H new ATOM 0 HB2 SER A 87 45.945 4.821 0.283 1.00 0.00 H new ATOM 0 HB3 SER A 87 46.867 5.759 -0.874 1.00 0.00 H new ATOM 0 HG SER A 87 44.956 4.823 -1.826 1.00 0.00 H new ATOM 1275 N ALA A 88 48.563 3.490 -2.669 1.00 0.00 N ATOM 1276 CA ALA A 88 49.484 3.671 -3.788 1.00 0.00 C ATOM 1277 C ALA A 88 48.764 4.301 -4.975 1.00 0.00 C ATOM 1278 O ALA A 88 47.548 4.170 -5.124 1.00 0.00 O ATOM 1279 CB ALA A 88 50.073 2.327 -4.219 1.00 0.00 C ATOM 0 H ALA A 88 47.776 2.870 -2.860 1.00 0.00 H new ATOM 0 HA ALA A 88 50.287 4.330 -3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 88 50.757 2.480 -5.054 1.00 0.00 H new ATOM 0 HB2 ALA A 88 50.614 1.882 -3.384 1.00 0.00 H new ATOM 0 HB3 ALA A 88 49.269 1.659 -4.527 1.00 0.00 H new ATOM 1285 N GLY A 89 49.529 4.987 -5.820 1.00 0.00 N ATOM 1286 CA GLY A 89 48.958 5.636 -6.997 1.00 0.00 C ATOM 1287 C GLY A 89 49.911 5.541 -8.183 1.00 0.00 C ATOM 1288 O GLY A 89 50.452 4.477 -8.479 1.00 0.00 O ATOM 0 H GLY A 89 50.536 5.107 -5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 89 48.007 5.168 -7.251 1.00 0.00 H new ATOM 0 HA3 GLY A 89 48.749 6.683 -6.775 1.00 0.00 H new ATOM 1292 N GLY A 90 50.110 6.670 -8.857 1.00 0.00 N ATOM 1293 CA GLY A 90 51.001 6.707 -10.014 1.00 0.00 C ATOM 1294 C GLY A 90 50.379 5.980 -11.201 1.00 0.00 C ATOM 1295 O GLY A 90 50.272 4.754 -11.209 1.00 0.00 O ATOM 0 H GLY A 90 49.672 7.562 -8.626 1.00 0.00 H new ATOM 0 HA2 GLY A 90 51.210 7.742 -10.285 1.00 0.00 H new ATOM 0 HA3 GLY A 90 51.955 6.246 -9.759 1.00 0.00 H new ATOM 1299 N ALA A 91 49.969 6.753 -12.204 1.00 0.00 N ATOM 1300 CA ALA A 91 49.356 6.177 -13.400 1.00 0.00 C ATOM 1301 C ALA A 91 48.083 5.417 -13.035 1.00 0.00 C ATOM 1302 O ALA A 91 47.736 4.420 -13.668 1.00 0.00 O ATOM 1303 CB ALA A 91 50.327 5.220 -14.095 1.00 0.00 C ATOM 0 H ALA A 91 50.048 7.770 -12.214 1.00 0.00 H new ATOM 0 HA ALA A 91 49.109 6.995 -14.076 1.00 0.00 H new ATOM 0 HB1 ALA A 91 49.853 4.802 -14.983 1.00 0.00 H new ATOM 0 HB2 ALA A 91 51.227 5.762 -14.386 1.00 0.00 H new ATOM 0 HB3 ALA A 91 50.594 4.414 -13.412 1.00 0.00 H new ATOM 1309 N ALA A 92 47.392 5.901 -12.008 1.00 0.00 N ATOM 1310 CA ALA A 92 46.156 5.262 -11.564 1.00 0.00 C ATOM 1311 C ALA A 92 44.975 5.753 -12.396 1.00 0.00 C ATOM 1312 O ALA A 92 44.242 6.654 -11.989 1.00 0.00 O ATOM 1313 CB ALA A 92 45.893 5.571 -10.089 1.00 0.00 C ATOM 0 H ALA A 92 47.662 6.725 -11.471 1.00 0.00 H new ATOM 0 HA ALA A 92 46.268 4.185 -11.693 1.00 0.00 H new ATOM 0 HB1 ALA A 92 44.968 5.087 -9.775 1.00 0.00 H new ATOM 0 HB2 ALA A 92 46.721 5.198 -9.486 1.00 0.00 H new ATOM 0 HB3 ALA A 92 45.802 6.649 -9.954 1.00 0.00 H new ATOM 1319 N ARG A 93 44.801 5.148 -13.568 1.00 0.00 N ATOM 1320 CA ARG A 93 43.706 5.527 -14.460 1.00 0.00 C ATOM 1321 C ARG A 93 43.829 6.994 -14.865 1.00 0.00 C ATOM 1322 O ARG A 93 43.480 7.895 -14.104 1.00 0.00 O ATOM 1323 CB ARG A 93 42.355 5.312 -13.774 1.00 0.00 C ATOM 1324 CG ARG A 93 41.251 5.230 -14.832 1.00 0.00 C ATOM 1325 CD ARG A 93 40.970 3.764 -15.171 1.00 0.00 C ATOM 1326 NE ARG A 93 39.824 3.267 -14.407 1.00 0.00 N ATOM 1327 CZ ARG A 93 39.538 1.960 -14.320 1.00 0.00 C ATOM 1328 NH1 ARG A 93 40.280 1.059 -14.921 1.00 0.00 N ATOM 1329 NH2 ARG A 93 38.502 1.576 -13.626 1.00 0.00 N ATOM 0 H ARG A 93 45.398 4.400 -13.921 1.00 0.00 H new ATOM 0 HA ARG A 93 43.766 4.898 -15.348 1.00 0.00 H new ATOM 0 HB2 ARG A 93 42.377 4.396 -13.184 1.00 0.00 H new ATOM 0 HB3 ARG A 93 42.152 6.131 -13.084 1.00 0.00 H new ATOM 0 HG2 ARG A 93 40.344 5.708 -14.463 1.00 0.00 H new ATOM 0 HG3 ARG A 93 41.553 5.770 -15.730 1.00 0.00 H new ATOM 0 HD2 ARG A 93 40.773 3.664 -16.238 1.00 0.00 H new ATOM 0 HD3 ARG A 93 41.850 3.159 -14.951 1.00 0.00 H new ATOM 0 HE ARG A 93 39.224 3.937 -13.925 1.00 0.00 H new ATOM 0 HH11 ARG A 93 41.092 1.348 -15.467 1.00 0.00 H new ATOM 0 HH12 ARG A 93 40.045 0.070 -14.842 1.00 0.00 H new ATOM 0 HH21 ARG A 93 37.918 2.268 -13.156 1.00 0.00 H new ATOM 0 HH22 ARG A 93 38.276 0.584 -13.554 1.00 0.00 H new ATOM 1343 N ASP A 94 44.330 7.220 -16.076 1.00 0.00 N ATOM 1344 CA ASP A 94 44.497 8.581 -16.579 1.00 0.00 C ATOM 1345 C ASP A 94 43.747 8.758 -17.895 1.00 0.00 C ATOM 1346 O ASP A 94 44.317 8.612 -18.975 1.00 0.00 O ATOM 1347 CB ASP A 94 45.978 8.892 -16.803 1.00 0.00 C ATOM 1348 CG ASP A 94 46.198 10.398 -16.733 1.00 0.00 C ATOM 1349 OD1 ASP A 94 45.799 10.991 -15.744 1.00 0.00 O ATOM 1350 OD2 ASP A 94 46.764 10.939 -17.669 1.00 0.00 O ATOM 0 H ASP A 94 44.625 6.487 -16.722 1.00 0.00 H new ATOM 0 HA ASP A 94 44.092 9.267 -15.835 1.00 0.00 H new ATOM 0 HB2 ASP A 94 46.584 8.390 -16.049 1.00 0.00 H new ATOM 0 HB3 ASP A 94 46.298 8.512 -17.773 1.00 0.00 H new ATOM 1355 N LYS A 95 42.459 9.075 -17.790 1.00 0.00 N ATOM 1356 CA LYS A 95 41.634 9.272 -18.978 1.00 0.00 C ATOM 1357 C LYS A 95 40.505 10.254 -18.686 1.00 0.00 C ATOM 1358 O LYS A 95 40.286 11.136 -19.500 1.00 0.00 O ATOM 1359 CB LYS A 95 41.032 7.943 -19.439 1.00 0.00 C ATOM 1360 CG LYS A 95 42.066 7.170 -20.260 1.00 0.00 C ATOM 1361 CD LYS A 95 41.459 5.849 -20.734 1.00 0.00 C ATOM 1362 CE LYS A 95 42.409 5.176 -21.726 1.00 0.00 C ATOM 1363 NZ LYS A 95 42.328 5.873 -23.042 1.00 0.00 N ATOM 1364 OXT LYS A 95 39.874 10.110 -17.652 1.00 0.00 O ATOM 0 H LYS A 95 41.968 9.200 -16.905 1.00 0.00 H new ATOM 0 HA LYS A 95 42.271 9.674 -19.766 1.00 0.00 H new ATOM 0 HB2 LYS A 95 40.723 7.353 -18.576 1.00 0.00 H new ATOM 0 HB3 LYS A 95 40.139 8.124 -20.037 1.00 0.00 H new ATOM 0 HG2 LYS A 95 42.383 7.764 -21.117 1.00 0.00 H new ATOM 0 HG3 LYS A 95 42.954 6.979 -19.658 1.00 0.00 H new ATOM 0 HD2 LYS A 95 41.281 5.192 -19.882 1.00 0.00 H new ATOM 0 HD3 LYS A 95 40.493 6.029 -21.205 1.00 0.00 H new ATOM 0 HE2 LYS A 95 43.431 5.209 -21.347 1.00 0.00 H new ATOM 0 HE3 LYS A 95 42.146 4.125 -21.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 42.750 5.273 -23.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 41.332 6.060 -23.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 42.846 6.773 -22.990 1.00 0.00 H new TER 1378 LYS A 95