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 Set 1.1: A 16 CYS SG : rot -37:sc= -0.863 USER MOD Set 1.2: A 46 ASN : amide:sc= -1.05 X(o=-1.9,f=-1.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 154:sc= -0.126 (180deg=-1.02) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.599 USER MOD Single : A 5 THR OG1 : rot -50:sc=-0.00991 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.983 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 31:sc= 1.12 USER MOD Single : A 47 THR OG1 : rot -105:sc= -3.02! USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.5!) USER MOD Single : A 66 LYS NZ :NH3+ 143:sc= -0.332 (180deg=-1.13!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00975 USER MOD Single : A 76 MET CE :methyl -176:sc= -9.56! (180deg=-9.72!) USER MOD Single : A 77 THR OG1 : rot 95:sc= 1.16 USER MOD Single : A 78 ASN : amide:sc= -7.19! C(o=-7.2!,f=-11!) USER MOD Single : A 80 SER OG : rot 85:sc= -6.72! 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= 0.00515 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 62.761 12.938 6.032 1.00 0.00 N ATOM 2 CA MET A 1 63.216 14.298 5.622 1.00 0.00 C ATOM 3 C MET A 1 64.341 14.174 4.602 1.00 0.00 C ATOM 4 O MET A 1 65.262 14.989 4.567 1.00 0.00 O ATOM 5 CB MET A 1 63.723 15.056 6.851 1.00 0.00 C ATOM 6 CG MET A 1 64.783 14.215 7.566 1.00 0.00 C ATOM 7 SD MET A 1 65.492 15.171 8.930 1.00 0.00 S ATOM 8 CE MET A 1 66.025 13.765 9.938 1.00 0.00 C ATOM 0 H1 MET A 1 62.349 12.983 6.986 1.00 0.00 H new ATOM 0 H2 MET A 1 62.045 12.595 5.361 1.00 0.00 H new ATOM 0 H3 MET A 1 63.572 12.287 6.036 1.00 0.00 H new ATOM 0 HA MET A 1 62.382 14.841 5.177 1.00 0.00 H new ATOM 0 HB2 MET A 1 64.145 16.015 6.552 1.00 0.00 H new ATOM 0 HB3 MET A 1 62.895 15.269 7.527 1.00 0.00 H new ATOM 0 HG2 MET A 1 64.338 13.295 7.945 1.00 0.00 H new ATOM 0 HG3 MET A 1 65.566 13.925 6.865 1.00 0.00 H new ATOM 0 HE1 MET A 1 66.500 14.130 10.849 1.00 0.00 H new ATOM 0 HE2 MET A 1 65.160 13.155 10.199 1.00 0.00 H new ATOM 0 HE3 MET A 1 66.737 13.162 9.374 1.00 0.00 H new ATOM 20 N THR A 2 64.247 13.140 3.770 1.00 0.00 N ATOM 21 CA THR A 2 65.253 12.889 2.732 1.00 0.00 C ATOM 22 C THR A 2 64.996 11.537 2.079 1.00 0.00 C ATOM 23 O THR A 2 64.193 10.744 2.567 1.00 0.00 O ATOM 24 CB THR A 2 66.673 12.886 3.318 1.00 0.00 C ATOM 25 OG1 THR A 2 67.585 12.408 2.339 1.00 0.00 O ATOM 26 CG2 THR A 2 66.720 11.978 4.549 1.00 0.00 C ATOM 0 H THR A 2 63.486 12.461 3.791 1.00 0.00 H new ATOM 0 HA THR A 2 65.175 13.689 1.996 1.00 0.00 H new ATOM 0 HB THR A 2 66.948 13.900 3.609 1.00 0.00 H new ATOM 0 HG1 THR A 2 68.492 12.407 2.710 1.00 0.00 H new ATOM 0 HG21 THR A 2 67.728 11.978 4.963 1.00 0.00 H new ATOM 0 HG22 THR A 2 66.020 12.346 5.299 1.00 0.00 H new ATOM 0 HG23 THR A 2 66.445 10.963 4.263 1.00 0.00 H new ATOM 34 N LEU A 3 65.689 11.280 0.975 1.00 0.00 N ATOM 35 CA LEU A 3 65.532 10.015 0.264 1.00 0.00 C ATOM 36 C LEU A 3 66.817 9.191 0.373 1.00 0.00 C ATOM 37 O LEU A 3 67.673 9.475 1.211 1.00 0.00 O ATOM 38 CB LEU A 3 65.187 10.268 -1.203 1.00 0.00 C ATOM 39 CG LEU A 3 66.305 10.876 -2.048 1.00 0.00 C ATOM 40 CD1 LEU A 3 66.095 10.492 -3.514 1.00 0.00 C ATOM 41 CD2 LEU A 3 66.268 12.399 -1.912 1.00 0.00 C ATOM 0 H LEU A 3 66.359 11.924 0.555 1.00 0.00 H new ATOM 0 HA LEU A 3 64.715 9.456 0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 3 64.887 9.323 -1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 3 64.322 10.930 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 3 67.270 10.501 -1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 3 66.891 10.924 -4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 3 66.112 9.407 -3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 3 65.132 10.872 -3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 3 67.064 12.837 -2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 3 65.304 12.772 -2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 3 66.409 12.674 -0.867 1.00 0.00 H new ATOM 53 N LEU A 4 66.950 8.164 -0.468 1.00 0.00 N ATOM 54 CA LEU A 4 68.147 7.317 -0.421 1.00 0.00 C ATOM 55 C LEU A 4 68.851 7.297 -1.773 1.00 0.00 C ATOM 56 O LEU A 4 68.251 7.591 -2.806 1.00 0.00 O ATOM 57 CB LEU A 4 67.781 5.883 -0.024 1.00 0.00 C ATOM 58 CG LEU A 4 68.862 5.126 0.751 1.00 0.00 C ATOM 59 CD1 LEU A 4 68.861 5.585 2.208 1.00 0.00 C ATOM 60 CD2 LEU A 4 68.575 3.622 0.688 1.00 0.00 C ATOM 0 H LEU A 4 66.263 7.901 -1.175 1.00 0.00 H new ATOM 0 HA LEU A 4 68.819 7.738 0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 4 66.875 5.910 0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 4 67.544 5.322 -0.928 1.00 0.00 H new ATOM 0 HG LEU A 4 69.837 5.329 0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 4 69.631 5.046 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 4 69.065 6.655 2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 4 67.887 5.382 2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 4 69.344 3.081 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 4 67.600 3.419 1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 4 68.576 3.295 -0.352 1.00 0.00 H new ATOM 72 N THR A 5 70.136 6.946 -1.754 1.00 0.00 N ATOM 73 CA THR A 5 70.914 6.894 -2.987 1.00 0.00 C ATOM 74 C THR A 5 71.741 5.614 -3.062 1.00 0.00 C ATOM 75 O THR A 5 71.908 4.898 -2.072 1.00 0.00 O ATOM 76 CB THR A 5 71.855 8.096 -3.073 1.00 0.00 C ATOM 77 OG1 THR A 5 72.379 8.381 -1.782 1.00 0.00 O ATOM 78 CG2 THR A 5 71.084 9.306 -3.591 1.00 0.00 C ATOM 0 H THR A 5 70.653 6.697 -0.911 1.00 0.00 H new ATOM 0 HA THR A 5 70.211 6.913 -3.820 1.00 0.00 H new ATOM 0 HB THR A 5 72.676 7.870 -3.754 1.00 0.00 H new ATOM 0 HG1 THR A 5 71.645 8.426 -1.134 1.00 0.00 H new ATOM 0 HG21 THR A 5 71.753 10.164 -3.653 1.00 0.00 H new ATOM 0 HG22 THR A 5 70.683 9.086 -4.580 1.00 0.00 H new ATOM 0 HG23 THR A 5 70.264 9.534 -2.910 1.00 0.00 H new ATOM 86 N LEU A 6 72.259 5.340 -4.255 1.00 0.00 N ATOM 87 CA LEU A 6 73.077 4.149 -4.474 1.00 0.00 C ATOM 88 C LEU A 6 74.326 4.197 -3.604 1.00 0.00 C ATOM 89 O LEU A 6 74.777 3.179 -3.082 1.00 0.00 O ATOM 90 CB LEU A 6 73.492 4.050 -5.942 1.00 0.00 C ATOM 91 CG LEU A 6 74.214 2.758 -6.328 1.00 0.00 C ATOM 92 CD1 LEU A 6 73.355 1.553 -5.940 1.00 0.00 C ATOM 93 CD2 LEU A 6 74.458 2.743 -7.839 1.00 0.00 C ATOM 0 H LEU A 6 72.129 5.922 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 6 72.483 3.275 -4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 6 72.601 4.149 -6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 6 74.140 4.894 -6.178 1.00 0.00 H new ATOM 0 HG LEU A 6 75.168 2.706 -5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 6 73.872 0.634 -6.216 1.00 0.00 H new ATOM 0 HD12 LEU A 6 73.180 1.562 -4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 6 72.400 1.603 -6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 6 74.973 1.823 -8.115 1.00 0.00 H new ATOM 0 HD22 LEU A 6 73.503 2.796 -8.362 1.00 0.00 H new ATOM 0 HD23 LEU A 6 75.072 3.600 -8.117 1.00 0.00 H new ATOM 105 N SER A 7 74.874 5.393 -3.453 1.00 0.00 N ATOM 106 CA SER A 7 76.073 5.576 -2.641 1.00 0.00 C ATOM 107 C SER A 7 75.781 5.257 -1.176 1.00 0.00 C ATOM 108 O SER A 7 76.655 4.798 -0.440 1.00 0.00 O ATOM 109 CB SER A 7 76.577 7.015 -2.747 1.00 0.00 C ATOM 110 OG SER A 7 77.510 7.107 -3.816 1.00 0.00 O ATOM 0 H SER A 7 74.513 6.247 -3.878 1.00 0.00 H new ATOM 0 HA SER A 7 76.838 4.896 -3.015 1.00 0.00 H new ATOM 0 HB2 SER A 7 75.742 7.694 -2.918 1.00 0.00 H new ATOM 0 HB3 SER A 7 77.047 7.318 -1.811 1.00 0.00 H new ATOM 0 HG SER A 7 77.834 8.029 -3.889 1.00 0.00 H new ATOM 116 N ASP A 8 74.539 5.504 -0.762 1.00 0.00 N ATOM 117 CA ASP A 8 74.143 5.242 0.615 1.00 0.00 C ATOM 118 C ASP A 8 74.145 3.745 0.895 1.00 0.00 C ATOM 119 O ASP A 8 74.905 3.256 1.727 1.00 0.00 O ATOM 120 CB ASP A 8 72.741 5.794 0.878 1.00 0.00 C ATOM 121 CG ASP A 8 72.796 7.313 1.000 1.00 0.00 C ATOM 122 OD1 ASP A 8 73.796 7.814 1.486 1.00 0.00 O ATOM 123 OD2 ASP A 8 71.834 7.952 0.605 1.00 0.00 O ATOM 0 H ASP A 8 73.799 5.881 -1.355 1.00 0.00 H new ATOM 0 HA ASP A 8 74.860 5.735 1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 8 72.071 5.510 0.067 1.00 0.00 H new ATOM 0 HB3 ASP A 8 72.336 5.361 1.793 1.00 0.00 H new ATOM 128 N LEU A 9 73.283 3.019 0.189 1.00 0.00 N ATOM 129 CA LEU A 9 73.190 1.569 0.373 1.00 0.00 C ATOM 130 C LEU A 9 74.546 0.902 0.138 1.00 0.00 C ATOM 131 O LEU A 9 74.868 -0.116 0.749 1.00 0.00 O ATOM 132 CB LEU A 9 72.172 0.970 -0.596 1.00 0.00 C ATOM 133 CG LEU A 9 71.999 -0.548 -0.501 1.00 0.00 C ATOM 134 CD1 LEU A 9 70.973 -0.878 0.585 1.00 0.00 C ATOM 135 CD2 LEU A 9 71.510 -1.091 -1.845 1.00 0.00 C ATOM 0 H LEU A 9 72.645 3.402 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 9 72.871 1.387 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 9 71.205 1.442 -0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 9 72.470 1.223 -1.614 1.00 0.00 H new ATOM 0 HG LEU A 9 72.955 -1.007 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 9 70.850 -1.959 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 9 71.320 -0.492 1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 9 70.017 -0.419 0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 9 71.387 -2.172 -1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 9 70.554 -0.632 -2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 9 72.240 -0.857 -2.620 1.00 0.00 H new ATOM 147 N LEU A 10 75.327 1.488 -0.762 1.00 0.00 N ATOM 148 CA LEU A 10 76.646 0.951 -1.092 1.00 0.00 C ATOM 149 C LEU A 10 77.544 0.873 0.146 1.00 0.00 C ATOM 150 O LEU A 10 77.962 -0.208 0.560 1.00 0.00 O ATOM 151 CB LEU A 10 77.317 1.835 -2.156 1.00 0.00 C ATOM 152 CG LEU A 10 77.354 1.256 -3.579 1.00 0.00 C ATOM 153 CD1 LEU A 10 75.985 0.667 -3.955 1.00 0.00 C ATOM 154 CD2 LEU A 10 77.719 2.372 -4.562 1.00 0.00 C ATOM 0 H LEU A 10 75.073 2.332 -1.276 1.00 0.00 H new ATOM 0 HA LEU A 10 76.509 -0.059 -1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 10 76.797 2.792 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.340 2.038 -1.840 1.00 0.00 H new ATOM 0 HG LEU A 10 78.098 0.461 -3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 10 76.029 0.261 -4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 10 75.727 -0.128 -3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 10 75.228 1.450 -3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 10 77.748 1.970 -5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 10 76.972 3.164 -4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 10 78.698 2.778 -4.305 1.00 0.00 H new ATOM 166 N THR A 11 77.851 2.036 0.714 1.00 0.00 N ATOM 167 CA THR A 11 78.724 2.103 1.891 1.00 0.00 C ATOM 168 C THR A 11 78.211 1.209 3.023 1.00 0.00 C ATOM 169 O THR A 11 78.975 0.515 3.684 1.00 0.00 O ATOM 170 CB THR A 11 78.862 3.566 2.370 1.00 0.00 C ATOM 171 OG1 THR A 11 80.098 3.722 3.052 1.00 0.00 O ATOM 172 CG2 THR A 11 77.712 3.976 3.306 1.00 0.00 C ATOM 0 H THR A 11 77.513 2.940 0.385 1.00 0.00 H new ATOM 0 HA THR A 11 79.707 1.732 1.602 1.00 0.00 H new ATOM 0 HB THR A 11 78.824 4.210 1.491 1.00 0.00 H new ATOM 0 HG1 THR A 11 80.189 4.649 3.356 1.00 0.00 H new ATOM 0 HG21 THR A 11 77.849 5.011 3.619 1.00 0.00 H new ATOM 0 HG22 THR A 11 76.762 3.878 2.780 1.00 0.00 H new ATOM 0 HG23 THR A 11 77.709 3.329 4.184 1.00 0.00 H new ATOM 180 N LEU A 12 76.908 1.254 3.240 1.00 0.00 N ATOM 181 CA LEU A 12 76.297 0.451 4.299 1.00 0.00 C ATOM 182 C LEU A 12 76.542 -1.028 4.049 1.00 0.00 C ATOM 183 O LEU A 12 76.932 -1.775 4.947 1.00 0.00 O ATOM 184 CB LEU A 12 74.794 0.700 4.355 1.00 0.00 C ATOM 185 CG LEU A 12 74.402 2.165 4.499 1.00 0.00 C ATOM 186 CD1 LEU A 12 72.950 2.357 4.060 1.00 0.00 C ATOM 187 CD2 LEU A 12 74.554 2.581 5.961 1.00 0.00 C ATOM 0 H LEU A 12 76.255 1.829 2.708 1.00 0.00 H new ATOM 0 HA LEU A 12 76.750 0.741 5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 12 74.338 0.302 3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 12 74.377 0.141 5.193 1.00 0.00 H new ATOM 0 HG LEU A 12 75.048 2.779 3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 12 72.674 3.406 4.165 1.00 0.00 H new ATOM 0 HD12 LEU A 12 72.842 2.056 3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 12 72.297 1.746 4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 12 74.275 3.629 6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 12 73.905 1.965 6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 12 75.590 2.446 6.272 1.00 0.00 H new ATOM 199 N LEU A 13 76.302 -1.436 2.815 1.00 0.00 N ATOM 200 CA LEU A 13 76.491 -2.833 2.436 1.00 0.00 C ATOM 201 C LEU A 13 77.952 -3.244 2.596 1.00 0.00 C ATOM 202 O LEU A 13 78.253 -4.273 3.202 1.00 0.00 O ATOM 203 CB LEU A 13 76.037 -3.072 0.988 1.00 0.00 C ATOM 204 CG LEU A 13 74.784 -3.940 0.844 1.00 0.00 C ATOM 205 CD1 LEU A 13 74.500 -4.193 -0.637 1.00 0.00 C ATOM 206 CD2 LEU A 13 75.006 -5.278 1.554 1.00 0.00 C ATOM 0 H LEU A 13 75.979 -0.829 2.062 1.00 0.00 H new ATOM 0 HA LEU A 13 75.880 -3.444 3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 13 75.850 -2.107 0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 13 76.853 -3.542 0.439 1.00 0.00 H new ATOM 0 HG LEU A 13 73.935 -3.424 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 13 73.608 -4.811 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 13 74.341 -3.242 -1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 13 75.349 -4.707 -1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 13 74.114 -5.896 1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 13 75.857 -5.791 1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 13 75.205 -5.100 2.611 1.00 0.00 H new ATOM 218 N ARG A 14 78.858 -2.439 2.048 1.00 0.00 N ATOM 219 CA ARG A 14 80.278 -2.758 2.149 1.00 0.00 C ATOM 220 C ARG A 14 80.763 -2.593 3.587 1.00 0.00 C ATOM 221 O ARG A 14 81.680 -3.287 4.023 1.00 0.00 O ATOM 222 CB ARG A 14 81.126 -1.890 1.210 1.00 0.00 C ATOM 223 CG ARG A 14 80.929 -0.409 1.530 1.00 0.00 C ATOM 224 CD ARG A 14 81.920 0.031 2.612 1.00 0.00 C ATOM 225 NE ARG A 14 82.514 1.326 2.268 1.00 0.00 N ATOM 226 CZ ARG A 14 83.627 1.781 2.861 1.00 0.00 C ATOM 227 NH1 ARG A 14 84.239 1.081 3.788 1.00 0.00 N ATOM 228 NH2 ARG A 14 84.111 2.942 2.513 1.00 0.00 N ATOM 0 H ARG A 14 78.642 -1.581 1.541 1.00 0.00 H new ATOM 0 HA ARG A 14 80.398 -3.798 1.845 1.00 0.00 H new ATOM 0 HB2 ARG A 14 82.179 -2.154 1.312 1.00 0.00 H new ATOM 0 HB3 ARG A 14 80.848 -2.085 0.174 1.00 0.00 H new ATOM 0 HG2 ARG A 14 81.073 0.188 0.629 1.00 0.00 H new ATOM 0 HG3 ARG A 14 79.908 -0.235 1.868 1.00 0.00 H new ATOM 0 HD2 ARG A 14 81.411 0.102 3.573 1.00 0.00 H new ATOM 0 HD3 ARG A 14 82.704 -0.718 2.721 1.00 0.00 H new ATOM 0 HE ARG A 14 82.066 1.900 1.554 1.00 0.00 H new ATOM 0 HH11 ARG A 14 83.869 0.173 4.069 1.00 0.00 H new ATOM 0 HH12 ARG A 14 85.085 1.445 4.227 1.00 0.00 H new ATOM 0 HH21 ARG A 14 83.643 3.495 1.795 1.00 0.00 H new ATOM 0 HH22 ARG A 14 84.957 3.296 2.959 1.00 0.00 H new ATOM 242 N GLU A 15 80.130 -1.683 4.333 1.00 0.00 N ATOM 243 CA GLU A 15 80.510 -1.467 5.731 1.00 0.00 C ATOM 244 C GLU A 15 80.311 -2.757 6.522 1.00 0.00 C ATOM 245 O GLU A 15 81.231 -3.261 7.166 1.00 0.00 O ATOM 246 CB GLU A 15 79.665 -0.353 6.360 1.00 0.00 C ATOM 247 CG GLU A 15 80.161 -0.061 7.781 1.00 0.00 C ATOM 248 CD GLU A 15 81.082 1.155 7.766 1.00 0.00 C ATOM 249 OE1 GLU A 15 80.651 2.193 7.292 1.00 0.00 O ATOM 250 OE2 GLU A 15 82.205 1.028 8.227 1.00 0.00 O ATOM 0 H GLU A 15 79.366 -1.094 4.000 1.00 0.00 H new ATOM 0 HA GLU A 15 81.558 -1.170 5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 15 79.726 0.549 5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 15 78.617 -0.650 6.385 1.00 0.00 H new ATOM 0 HG2 GLU A 15 79.313 0.121 8.442 1.00 0.00 H new ATOM 0 HG3 GLU A 15 80.693 -0.927 8.176 1.00 0.00 H new ATOM 257 N CYS A 16 79.099 -3.292 6.443 1.00 0.00 N ATOM 258 CA CYS A 16 78.774 -4.536 7.128 1.00 0.00 C ATOM 259 C CYS A 16 79.564 -5.675 6.501 1.00 0.00 C ATOM 260 O CYS A 16 80.027 -6.590 7.183 1.00 0.00 O ATOM 261 CB CYS A 16 77.282 -4.832 6.997 1.00 0.00 C ATOM 262 SG CYS A 16 76.730 -5.805 8.419 1.00 0.00 S ATOM 0 H CYS A 16 78.328 -2.886 5.913 1.00 0.00 H new ATOM 0 HA CYS A 16 79.030 -4.439 8.183 1.00 0.00 H new ATOM 0 HB2 CYS A 16 76.720 -3.900 6.941 1.00 0.00 H new ATOM 0 HB3 CYS A 16 77.089 -5.377 6.073 1.00 0.00 H new ATOM 0 HG CYS A 16 77.659 -6.650 8.754 1.00 0.00 H new ATOM 268 N ALA A 17 79.717 -5.593 5.181 1.00 0.00 N ATOM 269 CA ALA A 17 80.460 -6.604 4.426 1.00 0.00 C ATOM 270 C ALA A 17 81.870 -6.794 4.989 1.00 0.00 C ATOM 271 O ALA A 17 82.490 -7.841 4.804 1.00 0.00 O ATOM 272 CB ALA A 17 80.583 -6.178 2.964 1.00 0.00 C ATOM 0 H ALA A 17 79.337 -4.838 4.611 1.00 0.00 H new ATOM 0 HA ALA A 17 79.911 -7.542 4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 17 81.137 -6.936 2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 17 79.588 -6.067 2.532 1.00 0.00 H new ATOM 0 HB3 ALA A 17 81.112 -5.227 2.905 1.00 0.00 H new ATOM 278 N GLY A 18 82.373 -5.767 5.671 1.00 0.00 N ATOM 279 CA GLY A 18 83.714 -5.833 6.246 1.00 0.00 C ATOM 280 C GLY A 18 84.610 -4.698 5.733 1.00 0.00 C ATOM 281 O GLY A 18 85.822 -4.720 5.937 1.00 0.00 O ATOM 0 H GLY A 18 81.879 -4.890 5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 18 83.647 -5.780 7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 18 84.168 -6.793 6.001 1.00 0.00 H new ATOM 285 N GLU A 19 84.006 -3.702 5.067 1.00 0.00 N ATOM 286 CA GLU A 19 84.759 -2.559 4.533 1.00 0.00 C ATOM 287 C GLU A 19 85.547 -2.962 3.292 1.00 0.00 C ATOM 288 O GLU A 19 86.512 -3.723 3.367 1.00 0.00 O ATOM 289 CB GLU A 19 85.728 -1.976 5.575 1.00 0.00 C ATOM 290 CG GLU A 19 85.008 -1.806 6.916 1.00 0.00 C ATOM 291 CD GLU A 19 85.563 -0.586 7.642 1.00 0.00 C ATOM 292 OE1 GLU A 19 85.383 0.511 7.138 1.00 0.00 O ATOM 293 OE2 GLU A 19 86.159 -0.765 8.691 1.00 0.00 O ATOM 0 H GLU A 19 83.003 -3.666 4.886 1.00 0.00 H new ATOM 0 HA GLU A 19 84.027 -1.794 4.271 1.00 0.00 H new ATOM 0 HB2 GLU A 19 86.588 -2.635 5.695 1.00 0.00 H new ATOM 0 HB3 GLU A 19 86.109 -1.014 5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 19 83.937 -1.689 6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 19 85.142 -2.698 7.528 1.00 0.00 H new ATOM 300 N GLU A 20 85.120 -2.434 2.148 1.00 0.00 N ATOM 301 CA GLU A 20 85.777 -2.729 0.884 1.00 0.00 C ATOM 302 C GLU A 20 85.249 -1.793 -0.204 1.00 0.00 C ATOM 303 O GLU A 20 84.905 -2.221 -1.307 1.00 0.00 O ATOM 304 CB GLU A 20 85.521 -4.183 0.479 1.00 0.00 C ATOM 305 CG GLU A 20 86.333 -4.510 -0.773 1.00 0.00 C ATOM 306 CD GLU A 20 86.763 -5.972 -0.736 1.00 0.00 C ATOM 307 OE1 GLU A 20 87.559 -6.314 0.123 1.00 0.00 O ATOM 308 OE2 GLU A 20 86.291 -6.730 -1.569 1.00 0.00 O ATOM 0 H GLU A 20 84.323 -1.801 2.073 1.00 0.00 H new ATOM 0 HA GLU A 20 86.850 -2.579 1.003 1.00 0.00 H new ATOM 0 HB2 GLU A 20 85.800 -4.853 1.292 1.00 0.00 H new ATOM 0 HB3 GLU A 20 84.459 -4.338 0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 20 85.737 -4.318 -1.665 1.00 0.00 H new ATOM 0 HG3 GLU A 20 87.209 -3.864 -0.830 1.00 0.00 H new ATOM 315 N GLU A 21 85.186 -0.504 0.126 1.00 0.00 N ATOM 316 CA GLU A 21 84.694 0.498 -0.819 1.00 0.00 C ATOM 317 C GLU A 21 83.235 0.221 -1.168 1.00 0.00 C ATOM 318 O GLU A 21 82.671 -0.798 -0.769 1.00 0.00 O ATOM 319 CB GLU A 21 85.538 0.493 -2.104 1.00 0.00 C ATOM 320 CG GLU A 21 85.858 1.932 -2.522 1.00 0.00 C ATOM 321 CD GLU A 21 86.141 1.975 -4.019 1.00 0.00 C ATOM 322 OE1 GLU A 21 86.860 1.111 -4.493 1.00 0.00 O ATOM 323 OE2 GLU A 21 85.633 2.873 -4.672 1.00 0.00 O ATOM 0 H GLU A 21 85.467 -0.131 1.033 1.00 0.00 H new ATOM 0 HA GLU A 21 84.774 1.478 -0.348 1.00 0.00 H new ATOM 0 HB2 GLU A 21 86.462 -0.062 -1.941 1.00 0.00 H new ATOM 0 HB3 GLU A 21 84.998 -0.016 -2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 21 85.021 2.587 -2.280 1.00 0.00 H new ATOM 0 HG3 GLU A 21 86.721 2.300 -1.967 1.00 0.00 H new ATOM 330 N SER A 22 82.626 1.138 -1.918 1.00 0.00 N ATOM 331 CA SER A 22 81.227 0.986 -2.315 1.00 0.00 C ATOM 332 C SER A 22 81.024 -0.318 -3.090 1.00 0.00 C ATOM 333 O SER A 22 80.546 -1.311 -2.541 1.00 0.00 O ATOM 334 CB SER A 22 80.786 2.171 -3.180 1.00 0.00 C ATOM 335 OG SER A 22 80.203 3.166 -2.349 1.00 0.00 O ATOM 0 H SER A 22 83.075 1.987 -2.261 1.00 0.00 H new ATOM 0 HA SER A 22 80.620 0.957 -1.410 1.00 0.00 H new ATOM 0 HB2 SER A 22 81.641 2.583 -3.716 1.00 0.00 H new ATOM 0 HB3 SER A 22 80.068 1.841 -3.931 1.00 0.00 H new ATOM 0 HG SER A 22 79.921 3.927 -2.898 1.00 0.00 H new ATOM 341 N ILE A 23 81.400 -0.307 -4.364 1.00 0.00 N ATOM 342 CA ILE A 23 81.261 -1.493 -5.197 1.00 0.00 C ATOM 343 C ILE A 23 82.623 -1.905 -5.747 1.00 0.00 C ATOM 344 O ILE A 23 82.936 -1.688 -6.917 1.00 0.00 O ATOM 345 CB ILE A 23 80.302 -1.228 -6.359 1.00 0.00 C ATOM 346 CG1 ILE A 23 78.966 -0.684 -5.824 1.00 0.00 C ATOM 347 CG2 ILE A 23 80.061 -2.528 -7.124 1.00 0.00 C ATOM 348 CD1 ILE A 23 78.325 -1.687 -4.852 1.00 0.00 C ATOM 0 H ILE A 23 81.800 0.503 -4.838 1.00 0.00 H new ATOM 0 HA ILE A 23 80.856 -2.297 -4.583 1.00 0.00 H new ATOM 0 HB ILE A 23 80.742 -0.488 -7.028 1.00 0.00 H new ATOM 0 HG12 ILE A 23 79.131 0.267 -5.318 1.00 0.00 H new ATOM 0 HG13 ILE A 23 78.287 -0.489 -6.655 1.00 0.00 H new ATOM 0 HG21 ILE A 23 79.378 -2.341 -7.953 1.00 0.00 H new ATOM 0 HG22 ILE A 23 81.008 -2.903 -7.512 1.00 0.00 H new ATOM 0 HG23 ILE A 23 79.625 -3.269 -6.454 1.00 0.00 H new ATOM 0 HD11 ILE A 23 77.381 -1.285 -4.484 1.00 0.00 H new ATOM 0 HD12 ILE A 23 78.141 -2.628 -5.370 1.00 0.00 H new ATOM 0 HD13 ILE A 23 78.998 -1.860 -4.012 1.00 0.00 H new ATOM 360 N ASP A 24 83.427 -2.501 -4.878 1.00 0.00 N ATOM 361 CA ASP A 24 84.763 -2.946 -5.271 1.00 0.00 C ATOM 362 C ASP A 24 84.785 -4.454 -5.504 1.00 0.00 C ATOM 363 O ASP A 24 85.571 -4.958 -6.304 1.00 0.00 O ATOM 364 CB ASP A 24 85.784 -2.594 -4.188 1.00 0.00 C ATOM 365 CG ASP A 24 87.193 -2.854 -4.711 1.00 0.00 C ATOM 366 OD1 ASP A 24 87.583 -4.008 -4.756 1.00 0.00 O ATOM 367 OD2 ASP A 24 87.860 -1.894 -5.061 1.00 0.00 O ATOM 0 H ASP A 24 83.184 -2.688 -3.905 1.00 0.00 H new ATOM 0 HA ASP A 24 85.024 -2.436 -6.198 1.00 0.00 H new ATOM 0 HB2 ASP A 24 85.679 -1.548 -3.901 1.00 0.00 H new ATOM 0 HB3 ASP A 24 85.601 -3.190 -3.294 1.00 0.00 H new ATOM 372 N LEU A 25 83.915 -5.170 -4.794 1.00 0.00 N ATOM 373 CA LEU A 25 83.848 -6.623 -4.932 1.00 0.00 C ATOM 374 C LEU A 25 83.510 -7.013 -6.368 1.00 0.00 C ATOM 375 O LEU A 25 83.979 -8.030 -6.878 1.00 0.00 O ATOM 376 CB LEU A 25 82.784 -7.202 -3.998 1.00 0.00 C ATOM 377 CG LEU A 25 82.919 -6.796 -2.527 1.00 0.00 C ATOM 378 CD1 LEU A 25 81.533 -6.744 -1.879 1.00 0.00 C ATOM 379 CD2 LEU A 25 83.783 -7.824 -1.794 1.00 0.00 C ATOM 0 H LEU A 25 83.254 -4.774 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 25 84.825 -7.027 -4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 25 81.802 -6.892 -4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 25 82.819 -8.289 -4.063 1.00 0.00 H new ATOM 0 HG LEU A 25 83.386 -5.813 -2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 25 81.631 -6.455 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 25 80.915 -6.014 -2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 25 81.065 -7.726 -1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 25 83.880 -7.537 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 25 83.314 -8.806 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 25 84.771 -7.863 -2.253 1.00 0.00 H new ATOM 391 N GLY A 26 82.686 -6.193 -7.009 1.00 0.00 N ATOM 392 CA GLY A 26 82.281 -6.462 -8.388 1.00 0.00 C ATOM 393 C GLY A 26 82.676 -5.319 -9.320 1.00 0.00 C ATOM 394 O GLY A 26 82.983 -5.536 -10.492 1.00 0.00 O ATOM 0 H GLY A 26 82.288 -5.346 -6.604 1.00 0.00 H new ATOM 0 HA2 GLY A 26 82.743 -7.388 -8.730 1.00 0.00 H new ATOM 0 HA3 GLY A 26 81.202 -6.610 -8.429 1.00 0.00 H new ATOM 398 N GLY A 27 82.657 -4.096 -8.794 1.00 0.00 N ATOM 399 CA GLY A 27 83.006 -2.929 -9.594 1.00 0.00 C ATOM 400 C GLY A 27 81.751 -2.223 -10.104 1.00 0.00 C ATOM 401 O GLY A 27 81.739 -1.007 -10.294 1.00 0.00 O ATOM 0 H GLY A 27 82.406 -3.890 -7.827 1.00 0.00 H new ATOM 0 HA2 GLY A 27 83.600 -2.237 -8.996 1.00 0.00 H new ATOM 0 HA3 GLY A 27 83.625 -3.233 -10.438 1.00 0.00 H new ATOM 405 N ASP A 28 80.694 -3.004 -10.321 1.00 0.00 N ATOM 406 CA ASP A 28 79.432 -2.457 -10.805 1.00 0.00 C ATOM 407 C ASP A 28 78.362 -3.544 -10.797 1.00 0.00 C ATOM 408 O ASP A 28 78.264 -4.345 -11.727 1.00 0.00 O ATOM 409 CB ASP A 28 79.588 -1.915 -12.226 1.00 0.00 C ATOM 410 CG ASP A 28 78.365 -1.080 -12.591 1.00 0.00 C ATOM 411 OD1 ASP A 28 77.364 -1.665 -12.969 1.00 0.00 O ATOM 412 OD2 ASP A 28 78.447 0.132 -12.485 1.00 0.00 O ATOM 0 H ASP A 28 80.688 -4.013 -10.170 1.00 0.00 H new ATOM 0 HA ASP A 28 79.136 -1.641 -10.146 1.00 0.00 H new ATOM 0 HB2 ASP A 28 80.490 -1.308 -12.298 1.00 0.00 H new ATOM 0 HB3 ASP A 28 79.702 -2.739 -12.930 1.00 0.00 H new ATOM 417 N VAL A 29 77.568 -3.571 -9.729 1.00 0.00 N ATOM 418 CA VAL A 29 76.517 -4.575 -9.601 1.00 0.00 C ATOM 419 C VAL A 29 75.251 -3.963 -9.003 1.00 0.00 C ATOM 420 O VAL A 29 74.693 -4.468 -8.026 1.00 0.00 O ATOM 421 CB VAL A 29 76.997 -5.724 -8.713 1.00 0.00 C ATOM 422 CG1 VAL A 29 78.144 -6.462 -9.405 1.00 0.00 C ATOM 423 CG2 VAL A 29 77.486 -5.165 -7.374 1.00 0.00 C ATOM 0 H VAL A 29 77.631 -2.917 -8.949 1.00 0.00 H new ATOM 0 HA VAL A 29 76.286 -4.955 -10.596 1.00 0.00 H new ATOM 0 HB VAL A 29 76.173 -6.416 -8.540 1.00 0.00 H new ATOM 0 HG11 VAL A 29 78.485 -7.280 -8.771 1.00 0.00 H new ATOM 0 HG12 VAL A 29 77.797 -6.861 -10.358 1.00 0.00 H new ATOM 0 HG13 VAL A 29 78.968 -5.771 -9.580 1.00 0.00 H new ATOM 0 HG21 VAL A 29 77.828 -5.984 -6.741 1.00 0.00 H new ATOM 0 HG22 VAL A 29 78.309 -4.472 -7.548 1.00 0.00 H new ATOM 0 HG23 VAL A 29 76.669 -4.640 -6.879 1.00 0.00 H new ATOM 433 N GLU A 30 74.800 -2.872 -9.609 1.00 0.00 N ATOM 434 CA GLU A 30 73.597 -2.194 -9.145 1.00 0.00 C ATOM 435 C GLU A 30 72.339 -2.947 -9.587 1.00 0.00 C ATOM 436 O GLU A 30 71.282 -2.838 -8.963 1.00 0.00 O ATOM 437 CB GLU A 30 73.559 -0.769 -9.699 1.00 0.00 C ATOM 438 CG GLU A 30 73.511 -0.797 -11.233 1.00 0.00 C ATOM 439 CD GLU A 30 74.367 0.333 -11.797 1.00 0.00 C ATOM 440 OE1 GLU A 30 75.575 0.269 -11.638 1.00 0.00 O ATOM 441 OE2 GLU A 30 73.802 1.243 -12.379 1.00 0.00 O ATOM 0 H GLU A 30 75.246 -2.440 -10.418 1.00 0.00 H new ATOM 0 HA GLU A 30 73.620 -2.165 -8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 30 72.687 -0.243 -9.310 1.00 0.00 H new ATOM 0 HB3 GLU A 30 74.438 -0.218 -9.366 1.00 0.00 H new ATOM 0 HG2 GLU A 30 73.873 -1.758 -11.600 1.00 0.00 H new ATOM 0 HG3 GLU A 30 72.482 -0.692 -11.576 1.00 0.00 H new ATOM 448 N ASP A 31 72.466 -3.704 -10.675 1.00 0.00 N ATOM 449 CA ASP A 31 71.339 -4.465 -11.202 1.00 0.00 C ATOM 450 C ASP A 31 71.581 -5.972 -11.077 1.00 0.00 C ATOM 451 O ASP A 31 70.954 -6.768 -11.775 1.00 0.00 O ATOM 452 CB ASP A 31 71.106 -4.115 -12.673 1.00 0.00 C ATOM 453 CG ASP A 31 70.336 -2.802 -12.767 1.00 0.00 C ATOM 454 OD1 ASP A 31 69.447 -2.600 -11.956 1.00 0.00 O ATOM 455 OD2 ASP A 31 70.647 -2.019 -13.649 1.00 0.00 O ATOM 0 H ASP A 31 73.332 -3.806 -11.204 1.00 0.00 H new ATOM 0 HA ASP A 31 70.459 -4.201 -10.616 1.00 0.00 H new ATOM 0 HB2 ASP A 31 72.060 -4.027 -13.193 1.00 0.00 H new ATOM 0 HB3 ASP A 31 70.548 -4.912 -13.164 1.00 0.00 H new ATOM 460 N VAL A 32 72.478 -6.358 -10.168 1.00 0.00 N ATOM 461 CA VAL A 32 72.765 -7.774 -9.955 1.00 0.00 C ATOM 462 C VAL A 32 72.237 -8.204 -8.589 1.00 0.00 C ATOM 463 O VAL A 32 72.366 -7.476 -7.604 1.00 0.00 O ATOM 464 CB VAL A 32 74.268 -8.040 -10.018 1.00 0.00 C ATOM 465 CG1 VAL A 32 74.518 -9.547 -10.004 1.00 0.00 C ATOM 466 CG2 VAL A 32 74.845 -7.440 -11.303 1.00 0.00 C ATOM 0 H VAL A 32 73.010 -5.720 -9.577 1.00 0.00 H new ATOM 0 HA VAL A 32 72.274 -8.346 -10.743 1.00 0.00 H new ATOM 0 HB VAL A 32 74.752 -7.581 -9.156 1.00 0.00 H new ATOM 0 HG11 VAL A 32 75.590 -9.738 -10.049 1.00 0.00 H new ATOM 0 HG12 VAL A 32 74.111 -9.975 -9.088 1.00 0.00 H new ATOM 0 HG13 VAL A 32 74.031 -10.005 -10.865 1.00 0.00 H new ATOM 0 HG21 VAL A 32 75.917 -7.632 -11.345 1.00 0.00 H new ATOM 0 HG22 VAL A 32 74.361 -7.896 -12.167 1.00 0.00 H new ATOM 0 HG23 VAL A 32 74.668 -6.365 -11.314 1.00 0.00 H new ATOM 476 N ALA A 33 71.625 -9.384 -8.540 1.00 0.00 N ATOM 477 CA ALA A 33 71.061 -9.893 -7.287 1.00 0.00 C ATOM 478 C ALA A 33 72.122 -9.973 -6.192 1.00 0.00 C ATOM 479 O ALA A 33 73.306 -10.180 -6.463 1.00 0.00 O ATOM 480 CB ALA A 33 70.459 -11.283 -7.493 1.00 0.00 C ATOM 0 H ALA A 33 71.506 -10.002 -9.342 1.00 0.00 H new ATOM 0 HA ALA A 33 70.282 -9.196 -6.978 1.00 0.00 H new ATOM 0 HB1 ALA A 33 70.045 -11.644 -6.551 1.00 0.00 H new ATOM 0 HB2 ALA A 33 69.667 -11.229 -8.240 1.00 0.00 H new ATOM 0 HB3 ALA A 33 71.235 -11.968 -7.835 1.00 0.00 H new ATOM 486 N PHE A 34 71.675 -9.812 -4.945 1.00 0.00 N ATOM 487 CA PHE A 34 72.580 -9.868 -3.793 1.00 0.00 C ATOM 488 C PHE A 34 73.347 -11.189 -3.768 1.00 0.00 C ATOM 489 O PHE A 34 74.512 -11.240 -3.374 1.00 0.00 O ATOM 490 CB PHE A 34 71.794 -9.737 -2.486 1.00 0.00 C ATOM 491 CG PHE A 34 71.124 -8.385 -2.422 1.00 0.00 C ATOM 492 CD1 PHE A 34 71.897 -7.217 -2.410 1.00 0.00 C ATOM 493 CD2 PHE A 34 69.727 -8.300 -2.369 1.00 0.00 C ATOM 494 CE1 PHE A 34 71.272 -5.965 -2.345 1.00 0.00 C ATOM 495 CE2 PHE A 34 69.104 -7.049 -2.306 1.00 0.00 C ATOM 496 CZ PHE A 34 69.875 -5.882 -2.293 1.00 0.00 C ATOM 0 H PHE A 34 70.698 -9.643 -4.707 1.00 0.00 H new ATOM 0 HA PHE A 34 73.283 -9.040 -3.887 1.00 0.00 H new ATOM 0 HB2 PHE A 34 71.046 -10.527 -2.421 1.00 0.00 H new ATOM 0 HB3 PHE A 34 72.464 -9.861 -1.635 1.00 0.00 H new ATOM 0 HD1 PHE A 34 72.974 -7.282 -2.451 1.00 0.00 H new ATOM 0 HD2 PHE A 34 69.131 -9.200 -2.377 1.00 0.00 H new ATOM 0 HE1 PHE A 34 71.867 -5.064 -2.335 1.00 0.00 H new ATOM 0 HE2 PHE A 34 68.027 -6.984 -2.267 1.00 0.00 H new ATOM 0 HZ PHE A 34 69.393 -4.917 -2.243 1.00 0.00 H new ATOM 506 N ASP A 35 72.677 -12.257 -4.190 1.00 0.00 N ATOM 507 CA ASP A 35 73.294 -13.578 -4.211 1.00 0.00 C ATOM 508 C ASP A 35 74.520 -13.587 -5.119 1.00 0.00 C ATOM 509 O ASP A 35 75.550 -14.177 -4.792 1.00 0.00 O ATOM 510 CB ASP A 35 72.294 -14.617 -4.713 1.00 0.00 C ATOM 511 CG ASP A 35 71.108 -14.686 -3.756 1.00 0.00 C ATOM 512 OD1 ASP A 35 70.556 -13.642 -3.452 1.00 0.00 O ATOM 513 OD2 ASP A 35 70.769 -15.782 -3.341 1.00 0.00 O ATOM 0 H ASP A 35 71.712 -12.234 -4.520 1.00 0.00 H new ATOM 0 HA ASP A 35 73.601 -13.823 -3.194 1.00 0.00 H new ATOM 0 HB2 ASP A 35 71.952 -14.354 -5.714 1.00 0.00 H new ATOM 0 HB3 ASP A 35 72.773 -15.593 -4.786 1.00 0.00 H new ATOM 518 N ALA A 36 74.394 -12.928 -6.264 1.00 0.00 N ATOM 519 CA ALA A 36 75.494 -12.864 -7.221 1.00 0.00 C ATOM 520 C ALA A 36 76.671 -12.089 -6.630 1.00 0.00 C ATOM 521 O ALA A 36 77.831 -12.452 -6.824 1.00 0.00 O ATOM 522 CB ALA A 36 75.034 -12.190 -8.519 1.00 0.00 C ATOM 0 H ALA A 36 73.549 -12.434 -6.552 1.00 0.00 H new ATOM 0 HA ALA A 36 75.814 -13.882 -7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 36 75.866 -12.150 -9.223 1.00 0.00 H new ATOM 0 HB2 ALA A 36 74.216 -12.763 -8.956 1.00 0.00 H new ATOM 0 HB3 ALA A 36 74.693 -11.178 -8.302 1.00 0.00 H new ATOM 528 N LEU A 37 76.357 -11.018 -5.906 1.00 0.00 N ATOM 529 CA LEU A 37 77.400 -10.199 -5.288 1.00 0.00 C ATOM 530 C LEU A 37 78.153 -11.010 -4.242 1.00 0.00 C ATOM 531 O LEU A 37 79.360 -10.853 -4.060 1.00 0.00 O ATOM 532 CB LEU A 37 76.802 -8.958 -4.613 1.00 0.00 C ATOM 533 CG LEU A 37 75.579 -8.346 -5.304 1.00 0.00 C ATOM 534 CD1 LEU A 37 75.246 -7.003 -4.654 1.00 0.00 C ATOM 535 CD2 LEU A 37 75.878 -8.130 -6.788 1.00 0.00 C ATOM 0 H LEU A 37 75.404 -10.699 -5.733 1.00 0.00 H new ATOM 0 HA LEU A 37 78.081 -9.881 -6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 37 76.525 -9.221 -3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 37 77.578 -8.195 -4.546 1.00 0.00 H new ATOM 0 HG LEU A 37 74.731 -9.024 -5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 37 74.376 -6.567 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 37 75.028 -7.155 -3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 37 76.096 -6.329 -4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 37 75.006 -7.695 -7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 37 76.727 -7.455 -6.894 1.00 0.00 H new ATOM 0 HD23 LEU A 37 76.115 -9.086 -7.254 1.00 0.00 H new ATOM 547 N GLY A 38 77.422 -11.881 -3.555 1.00 0.00 N ATOM 548 CA GLY A 38 78.020 -12.720 -2.523 1.00 0.00 C ATOM 549 C GLY A 38 77.510 -12.342 -1.132 1.00 0.00 C ATOM 550 O GLY A 38 78.149 -12.646 -0.125 1.00 0.00 O ATOM 0 H GLY A 38 76.421 -12.024 -3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 38 77.790 -13.766 -2.724 1.00 0.00 H new ATOM 0 HA3 GLY A 38 79.105 -12.620 -2.554 1.00 0.00 H new ATOM 554 N TYR A 39 76.353 -11.680 -1.079 1.00 0.00 N ATOM 555 CA TYR A 39 75.781 -11.281 0.202 1.00 0.00 C ATOM 556 C TYR A 39 74.939 -12.414 0.778 1.00 0.00 C ATOM 557 O TYR A 39 74.198 -13.083 0.057 1.00 0.00 O ATOM 558 CB TYR A 39 74.903 -10.039 0.035 1.00 0.00 C ATOM 559 CG TYR A 39 75.780 -8.824 -0.154 1.00 0.00 C ATOM 560 CD1 TYR A 39 76.752 -8.507 0.803 1.00 0.00 C ATOM 561 CD2 TYR A 39 75.622 -8.015 -1.285 1.00 0.00 C ATOM 562 CE1 TYR A 39 77.565 -7.380 0.628 1.00 0.00 C ATOM 563 CE2 TYR A 39 76.435 -6.888 -1.460 1.00 0.00 C ATOM 564 CZ TYR A 39 77.406 -6.571 -0.504 1.00 0.00 C ATOM 565 OH TYR A 39 78.208 -5.462 -0.675 1.00 0.00 O ATOM 0 H TYR A 39 75.803 -11.413 -1.896 1.00 0.00 H new ATOM 0 HA TYR A 39 76.601 -11.052 0.883 1.00 0.00 H new ATOM 0 HB2 TYR A 39 74.242 -10.161 -0.823 1.00 0.00 H new ATOM 0 HB3 TYR A 39 74.268 -9.909 0.911 1.00 0.00 H new ATOM 0 HD1 TYR A 39 76.875 -9.131 1.676 1.00 0.00 H new ATOM 0 HD2 TYR A 39 74.873 -8.260 -2.023 1.00 0.00 H new ATOM 0 HE1 TYR A 39 78.314 -7.135 1.366 1.00 0.00 H new ATOM 0 HE2 TYR A 39 76.312 -6.264 -2.333 1.00 0.00 H new ATOM 0 HH TYR A 39 77.969 -5.011 -1.512 1.00 0.00 H new ATOM 575 N ASP A 40 75.063 -12.625 2.085 1.00 0.00 N ATOM 576 CA ASP A 40 74.308 -13.684 2.747 1.00 0.00 C ATOM 577 C ASP A 40 72.906 -13.200 3.090 1.00 0.00 C ATOM 578 O ASP A 40 71.917 -13.629 2.496 1.00 0.00 O ATOM 579 CB ASP A 40 75.014 -14.124 4.032 1.00 0.00 C ATOM 580 CG ASP A 40 76.196 -15.022 3.682 1.00 0.00 C ATOM 581 OD1 ASP A 40 77.242 -14.488 3.349 1.00 0.00 O ATOM 582 OD2 ASP A 40 76.038 -16.229 3.751 1.00 0.00 O ATOM 0 H ASP A 40 75.671 -12.084 2.700 1.00 0.00 H new ATOM 0 HA ASP A 40 74.244 -14.530 2.063 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.359 -13.252 4.587 1.00 0.00 H new ATOM 0 HB3 ASP A 40 74.317 -14.658 4.678 1.00 0.00 H new ATOM 587 N SER A 41 72.839 -12.296 4.060 1.00 0.00 N ATOM 588 CA SER A 41 71.564 -11.734 4.500 1.00 0.00 C ATOM 589 C SER A 41 71.792 -10.837 5.707 1.00 0.00 C ATOM 590 O SER A 41 71.167 -9.787 5.850 1.00 0.00 O ATOM 591 CB SER A 41 70.576 -12.841 4.885 1.00 0.00 C ATOM 592 OG SER A 41 69.807 -13.202 3.745 1.00 0.00 O ATOM 0 H SER A 41 73.652 -11.935 4.558 1.00 0.00 H new ATOM 0 HA SER A 41 71.144 -11.160 3.674 1.00 0.00 H new ATOM 0 HB2 SER A 41 71.115 -13.709 5.264 1.00 0.00 H new ATOM 0 HB3 SER A 41 69.921 -12.497 5.686 1.00 0.00 H new ATOM 0 HG SER A 41 70.343 -13.074 2.935 1.00 0.00 H new ATOM 598 N LEU A 42 72.705 -11.267 6.573 1.00 0.00 N ATOM 599 CA LEU A 42 73.025 -10.503 7.775 1.00 0.00 C ATOM 600 C LEU A 42 73.563 -9.124 7.406 1.00 0.00 C ATOM 601 O LEU A 42 73.318 -8.139 8.103 1.00 0.00 O ATOM 602 CB LEU A 42 74.073 -11.236 8.612 1.00 0.00 C ATOM 603 CG LEU A 42 73.642 -12.609 9.134 1.00 0.00 C ATOM 604 CD1 LEU A 42 74.882 -13.431 9.494 1.00 0.00 C ATOM 605 CD2 LEU A 42 72.771 -12.430 10.380 1.00 0.00 C ATOM 0 H LEU A 42 73.233 -12.133 6.467 1.00 0.00 H new ATOM 0 HA LEU A 42 72.108 -10.392 8.354 1.00 0.00 H new ATOM 0 HB2 LEU A 42 74.974 -11.359 8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 42 74.340 -10.609 9.462 1.00 0.00 H new ATOM 0 HG LEU A 42 73.073 -13.128 8.363 1.00 0.00 H new ATOM 0 HD11 LEU A 42 74.575 -14.409 9.866 1.00 0.00 H new ATOM 0 HD12 LEU A 42 75.504 -13.559 8.608 1.00 0.00 H new ATOM 0 HD13 LEU A 42 75.451 -12.912 10.265 1.00 0.00 H new ATOM 0 HD21 LEU A 42 72.464 -13.407 10.752 1.00 0.00 H new ATOM 0 HD22 LEU A 42 73.341 -11.911 11.151 1.00 0.00 H new ATOM 0 HD23 LEU A 42 71.888 -11.844 10.125 1.00 0.00 H new ATOM 617 N ALA A 43 74.301 -9.063 6.299 1.00 0.00 N ATOM 618 CA ALA A 43 74.869 -7.795 5.848 1.00 0.00 C ATOM 619 C ALA A 43 73.778 -6.883 5.311 1.00 0.00 C ATOM 620 O ALA A 43 73.814 -5.673 5.519 1.00 0.00 O ATOM 621 CB ALA A 43 75.910 -8.031 4.753 1.00 0.00 C ATOM 0 H ALA A 43 74.517 -9.864 5.706 1.00 0.00 H new ATOM 0 HA ALA A 43 75.348 -7.320 6.704 1.00 0.00 H new ATOM 0 HB1 ALA A 43 76.322 -7.075 4.430 1.00 0.00 H new ATOM 0 HB2 ALA A 43 76.712 -8.658 5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 43 75.440 -8.528 3.905 1.00 0.00 H new ATOM 627 N LEU A 44 72.805 -7.478 4.627 1.00 0.00 N ATOM 628 CA LEU A 44 71.693 -6.712 4.066 1.00 0.00 C ATOM 629 C LEU A 44 70.706 -6.353 5.168 1.00 0.00 C ATOM 630 O LEU A 44 70.130 -5.265 5.192 1.00 0.00 O ATOM 631 CB LEU A 44 70.967 -7.535 3.006 1.00 0.00 C ATOM 632 CG LEU A 44 71.693 -7.644 1.669 1.00 0.00 C ATOM 633 CD1 LEU A 44 70.875 -8.511 0.714 1.00 0.00 C ATOM 634 CD2 LEU A 44 71.857 -6.245 1.078 1.00 0.00 C ATOM 0 H LEU A 44 72.762 -8.481 4.448 1.00 0.00 H new ATOM 0 HA LEU A 44 72.092 -5.804 3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 44 70.802 -8.539 3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 44 69.985 -7.095 2.835 1.00 0.00 H new ATOM 0 HG LEU A 44 72.673 -8.099 1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 44 71.394 -8.589 -0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 44 70.751 -9.506 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 44 69.896 -8.058 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 44 72.375 -6.313 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 44 70.875 -5.796 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 44 72.438 -5.627 1.762 1.00 0.00 H new ATOM 646 N LEU A 45 70.522 -7.296 6.081 1.00 0.00 N ATOM 647 CA LEU A 45 69.607 -7.107 7.205 1.00 0.00 C ATOM 648 C LEU A 45 70.027 -5.897 8.038 1.00 0.00 C ATOM 649 O LEU A 45 69.234 -4.989 8.288 1.00 0.00 O ATOM 650 CB LEU A 45 69.595 -8.360 8.092 1.00 0.00 C ATOM 651 CG LEU A 45 68.837 -8.232 9.420 1.00 0.00 C ATOM 652 CD1 LEU A 45 67.423 -7.711 9.158 1.00 0.00 C ATOM 653 CD2 LEU A 45 68.757 -9.604 10.092 1.00 0.00 C ATOM 0 H LEU A 45 70.993 -8.201 6.068 1.00 0.00 H new ATOM 0 HA LEU A 45 68.606 -6.935 6.808 1.00 0.00 H new ATOM 0 HB2 LEU A 45 69.157 -9.180 7.523 1.00 0.00 H new ATOM 0 HB3 LEU A 45 70.626 -8.638 8.310 1.00 0.00 H new ATOM 0 HG LEU A 45 69.363 -7.535 10.072 1.00 0.00 H new ATOM 0 HD11 LEU A 45 66.887 -7.621 10.103 1.00 0.00 H new ATOM 0 HD12 LEU A 45 67.478 -6.734 8.678 1.00 0.00 H new ATOM 0 HD13 LEU A 45 66.894 -8.406 8.506 1.00 0.00 H new ATOM 0 HD21 LEU A 45 68.219 -9.516 11.036 1.00 0.00 H new ATOM 0 HD22 LEU A 45 68.231 -10.299 9.438 1.00 0.00 H new ATOM 0 HD23 LEU A 45 69.764 -9.975 10.282 1.00 0.00 H new ATOM 665 N ASN A 46 71.286 -5.899 8.462 1.00 0.00 N ATOM 666 CA ASN A 46 71.812 -4.799 9.266 1.00 0.00 C ATOM 667 C ASN A 46 71.744 -3.491 8.488 1.00 0.00 C ATOM 668 O ASN A 46 71.335 -2.456 9.016 1.00 0.00 O ATOM 669 CB ASN A 46 73.265 -5.067 9.660 1.00 0.00 C ATOM 670 CG ASN A 46 73.318 -6.220 10.655 1.00 0.00 C ATOM 671 OD1 ASN A 46 72.641 -6.194 11.683 1.00 0.00 O ATOM 672 ND2 ASN A 46 74.091 -7.241 10.409 1.00 0.00 N ATOM 0 H ASN A 46 71.957 -6.642 8.265 1.00 0.00 H new ATOM 0 HA ASN A 46 71.201 -4.721 10.166 1.00 0.00 H new ATOM 0 HB2 ASN A 46 73.854 -5.309 8.775 1.00 0.00 H new ATOM 0 HB3 ASN A 46 73.704 -4.172 10.101 1.00 0.00 H new ATOM 0 HD21 ASN A 46 74.135 -8.018 11.068 1.00 0.00 H new ATOM 0 HD22 ASN A 46 74.652 -7.263 9.557 1.00 0.00 H new ATOM 679 N THR A 47 72.150 -3.549 7.223 1.00 0.00 N ATOM 680 CA THR A 47 72.133 -2.364 6.366 1.00 0.00 C ATOM 681 C THR A 47 70.724 -1.790 6.261 1.00 0.00 C ATOM 682 O THR A 47 70.467 -0.653 6.655 1.00 0.00 O ATOM 683 CB THR A 47 72.616 -2.730 4.966 1.00 0.00 C ATOM 684 OG1 THR A 47 72.217 -4.045 4.681 1.00 0.00 O ATOM 685 CG2 THR A 47 74.139 -2.622 4.894 1.00 0.00 C ATOM 0 H THR A 47 72.493 -4.396 6.770 1.00 0.00 H new ATOM 0 HA THR A 47 72.792 -1.618 6.810 1.00 0.00 H new ATOM 0 HB THR A 47 72.184 -2.045 4.236 1.00 0.00 H new ATOM 0 HG1 THR A 47 72.990 -4.643 4.748 1.00 0.00 H new ATOM 0 HG21 THR A 47 74.475 -2.885 3.891 1.00 0.00 H new ATOM 0 HG22 THR A 47 74.443 -1.600 5.122 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.587 -3.304 5.617 1.00 0.00 H new ATOM 693 N VAL A 48 69.819 -2.598 5.717 1.00 0.00 N ATOM 694 CA VAL A 48 68.426 -2.180 5.540 1.00 0.00 C ATOM 695 C VAL A 48 67.810 -1.748 6.871 1.00 0.00 C ATOM 696 O VAL A 48 67.006 -0.818 6.923 1.00 0.00 O ATOM 697 CB VAL A 48 67.596 -3.326 4.946 1.00 0.00 C ATOM 698 CG1 VAL A 48 66.171 -2.842 4.654 1.00 0.00 C ATOM 699 CG2 VAL A 48 68.244 -3.806 3.641 1.00 0.00 C ATOM 0 H VAL A 48 70.021 -3.543 5.391 1.00 0.00 H new ATOM 0 HA VAL A 48 68.418 -1.331 4.856 1.00 0.00 H new ATOM 0 HB VAL A 48 67.559 -4.147 5.662 1.00 0.00 H new ATOM 0 HG11 VAL A 48 65.588 -3.661 4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 48 65.705 -2.503 5.579 1.00 0.00 H new ATOM 0 HG13 VAL A 48 66.206 -2.017 3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 48 67.654 -4.620 3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 48 68.284 -2.981 2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 48 69.255 -4.159 3.845 1.00 0.00 H new ATOM 709 N GLY A 49 68.194 -2.433 7.944 1.00 0.00 N ATOM 710 CA GLY A 49 67.670 -2.109 9.269 1.00 0.00 C ATOM 711 C GLY A 49 67.986 -0.663 9.642 1.00 0.00 C ATOM 712 O GLY A 49 67.163 0.040 10.233 1.00 0.00 O ATOM 0 H GLY A 49 68.858 -3.207 7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 49 66.591 -2.266 9.286 1.00 0.00 H new ATOM 0 HA3 GLY A 49 68.102 -2.782 10.010 1.00 0.00 H new ATOM 716 N ARG A 50 69.188 -0.224 9.284 1.00 0.00 N ATOM 717 CA ARG A 50 69.604 1.137 9.584 1.00 0.00 C ATOM 718 C ARG A 50 68.809 2.129 8.747 1.00 0.00 C ATOM 719 O ARG A 50 68.471 3.217 9.208 1.00 0.00 O ATOM 720 CB ARG A 50 71.095 1.322 9.293 1.00 0.00 C ATOM 721 CG ARG A 50 71.576 2.641 9.902 1.00 0.00 C ATOM 722 CD ARG A 50 73.021 2.488 10.378 1.00 0.00 C ATOM 723 NE ARG A 50 73.260 3.302 11.573 1.00 0.00 N ATOM 724 CZ ARG A 50 73.301 4.641 11.527 1.00 0.00 C ATOM 725 NH1 ARG A 50 73.128 5.289 10.399 1.00 0.00 N ATOM 726 NH2 ARG A 50 73.516 5.313 12.624 1.00 0.00 N ATOM 0 H ARG A 50 69.883 -0.785 8.791 1.00 0.00 H new ATOM 0 HA ARG A 50 69.418 1.319 10.642 1.00 0.00 H new ATOM 0 HB2 ARG A 50 71.663 0.489 9.708 1.00 0.00 H new ATOM 0 HB3 ARG A 50 71.269 1.322 8.217 1.00 0.00 H new ATOM 0 HG2 ARG A 50 71.508 3.440 9.164 1.00 0.00 H new ATOM 0 HG3 ARG A 50 70.935 2.923 10.737 1.00 0.00 H new ATOM 0 HD2 ARG A 50 73.228 1.441 10.598 1.00 0.00 H new ATOM 0 HD3 ARG A 50 73.705 2.789 9.584 1.00 0.00 H new ATOM 0 HE ARG A 50 73.400 2.834 12.469 1.00 0.00 H new ATOM 0 HH11 ARG A 50 72.958 4.773 9.535 1.00 0.00 H new ATOM 0 HH12 ARG A 50 73.163 6.308 10.386 1.00 0.00 H new ATOM 0 HH21 ARG A 50 73.651 4.819 13.506 1.00 0.00 H new ATOM 0 HH22 ARG A 50 73.549 6.332 12.600 1.00 0.00 H new ATOM 740 N ILE A 51 68.509 1.739 7.512 1.00 0.00 N ATOM 741 CA ILE A 51 67.748 2.610 6.621 1.00 0.00 C ATOM 742 C ILE A 51 66.326 2.786 7.135 1.00 0.00 C ATOM 743 O ILE A 51 65.827 3.905 7.253 1.00 0.00 O ATOM 744 CB ILE A 51 67.688 2.037 5.197 1.00 0.00 C ATOM 745 CG1 ILE A 51 69.084 1.597 4.727 1.00 0.00 C ATOM 746 CG2 ILE A 51 67.155 3.109 4.246 1.00 0.00 C ATOM 747 CD1 ILE A 51 70.078 2.761 4.819 1.00 0.00 C ATOM 0 H ILE A 51 68.776 0.841 7.109 1.00 0.00 H new ATOM 0 HA ILE A 51 68.258 3.573 6.597 1.00 0.00 H new ATOM 0 HB ILE A 51 67.029 1.169 5.198 1.00 0.00 H new ATOM 0 HG12 ILE A 51 69.433 0.765 5.338 1.00 0.00 H new ATOM 0 HG13 ILE A 51 69.031 1.238 3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 51 67.110 2.708 3.234 1.00 0.00 H new ATOM 0 HG22 ILE A 51 66.156 3.411 4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 51 67.818 3.974 4.264 1.00 0.00 H new ATOM 0 HD11 ILE A 51 71.060 2.429 4.482 1.00 0.00 H new ATOM 0 HD12 ILE A 51 69.736 3.582 4.188 1.00 0.00 H new ATOM 0 HD13 ILE A 51 70.145 3.101 5.852 1.00 0.00 H new ATOM 759 N GLU A 52 65.674 1.667 7.432 1.00 0.00 N ATOM 760 CA GLU A 52 64.299 1.708 7.922 1.00 0.00 C ATOM 761 C GLU A 52 64.201 2.510 9.218 1.00 0.00 C ATOM 762 O GLU A 52 63.152 3.069 9.533 1.00 0.00 O ATOM 763 CB GLU A 52 63.771 0.292 8.168 1.00 0.00 C ATOM 764 CG GLU A 52 64.689 -0.438 9.151 1.00 0.00 C ATOM 765 CD GLU A 52 64.079 -1.788 9.510 1.00 0.00 C ATOM 766 OE1 GLU A 52 63.251 -1.824 10.405 1.00 0.00 O ATOM 767 OE2 GLU A 52 64.448 -2.768 8.883 1.00 0.00 O ATOM 0 H GLU A 52 66.069 0.731 7.344 1.00 0.00 H new ATOM 0 HA GLU A 52 63.694 2.194 7.157 1.00 0.00 H new ATOM 0 HB2 GLU A 52 62.757 0.336 8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 52 63.721 -0.256 7.227 1.00 0.00 H new ATOM 0 HG2 GLU A 52 65.675 -0.579 8.708 1.00 0.00 H new ATOM 0 HG3 GLU A 52 64.826 0.162 10.051 1.00 0.00 H new ATOM 774 N ARG A 53 65.296 2.556 9.975 1.00 0.00 N ATOM 775 CA ARG A 53 65.291 3.291 11.236 1.00 0.00 C ATOM 776 C ARG A 53 65.745 4.735 11.037 1.00 0.00 C ATOM 777 O ARG A 53 65.134 5.669 11.556 1.00 0.00 O ATOM 778 CB ARG A 53 66.212 2.616 12.254 1.00 0.00 C ATOM 779 CG ARG A 53 65.711 2.908 13.670 1.00 0.00 C ATOM 780 CD ARG A 53 64.404 2.151 13.914 1.00 0.00 C ATOM 781 NE ARG A 53 64.095 2.101 15.345 1.00 0.00 N ATOM 782 CZ ARG A 53 62.922 1.642 15.806 1.00 0.00 C ATOM 783 NH1 ARG A 53 61.991 1.212 14.987 1.00 0.00 N ATOM 784 NH2 ARG A 53 62.703 1.623 17.092 1.00 0.00 N ATOM 0 H ARG A 53 66.180 2.103 9.743 1.00 0.00 H new ATOM 0 HA ARG A 53 64.267 3.290 11.609 1.00 0.00 H new ATOM 0 HB2 ARG A 53 66.237 1.540 12.080 1.00 0.00 H new ATOM 0 HB3 ARG A 53 67.232 2.981 12.135 1.00 0.00 H new ATOM 0 HG2 ARG A 53 66.460 2.607 14.402 1.00 0.00 H new ATOM 0 HG3 ARG A 53 65.553 3.979 13.798 1.00 0.00 H new ATOM 0 HD2 ARG A 53 63.590 2.639 13.378 1.00 0.00 H new ATOM 0 HD3 ARG A 53 64.485 1.138 13.519 1.00 0.00 H new ATOM 0 HE ARG A 53 64.795 2.426 16.013 1.00 0.00 H new ATOM 0 HH11 ARG A 53 62.153 1.223 13.980 1.00 0.00 H new ATOM 0 HH12 ARG A 53 61.106 0.867 15.358 1.00 0.00 H new ATOM 0 HH21 ARG A 53 63.420 1.955 17.736 1.00 0.00 H new ATOM 0 HH22 ARG A 53 61.814 1.276 17.453 1.00 0.00 H new ATOM 798 N ASP A 54 66.829 4.907 10.291 1.00 0.00 N ATOM 799 CA ASP A 54 67.365 6.240 10.040 1.00 0.00 C ATOM 800 C ASP A 54 66.458 7.033 9.105 1.00 0.00 C ATOM 801 O ASP A 54 66.331 8.252 9.229 1.00 0.00 O ATOM 802 CB ASP A 54 68.752 6.147 9.408 1.00 0.00 C ATOM 803 CG ASP A 54 69.791 5.873 10.490 1.00 0.00 C ATOM 804 OD1 ASP A 54 69.563 4.980 11.289 1.00 0.00 O ATOM 805 OD2 ASP A 54 70.798 6.562 10.504 1.00 0.00 O ATOM 0 H ASP A 54 67.351 4.148 9.852 1.00 0.00 H new ATOM 0 HA ASP A 54 67.426 6.751 11.001 1.00 0.00 H new ATOM 0 HB2 ASP A 54 68.770 5.352 8.663 1.00 0.00 H new ATOM 0 HB3 ASP A 54 68.989 7.076 8.889 1.00 0.00 H new ATOM 810 N TYR A 55 65.843 6.336 8.156 1.00 0.00 N ATOM 811 CA TYR A 55 64.967 6.997 7.193 1.00 0.00 C ATOM 812 C TYR A 55 63.494 6.806 7.556 1.00 0.00 C ATOM 813 O TYR A 55 62.644 7.609 7.169 1.00 0.00 O ATOM 814 CB TYR A 55 65.221 6.455 5.783 1.00 0.00 C ATOM 815 CG TYR A 55 66.649 6.753 5.378 1.00 0.00 C ATOM 816 CD1 TYR A 55 67.711 6.108 6.024 1.00 0.00 C ATOM 817 CD2 TYR A 55 66.910 7.674 4.356 1.00 0.00 C ATOM 818 CE1 TYR A 55 69.032 6.384 5.649 1.00 0.00 C ATOM 819 CE2 TYR A 55 68.232 7.949 3.981 1.00 0.00 C ATOM 820 CZ TYR A 55 69.292 7.304 4.628 1.00 0.00 C ATOM 821 OH TYR A 55 70.594 7.575 4.259 1.00 0.00 O ATOM 0 H TYR A 55 65.932 5.327 8.032 1.00 0.00 H new ATOM 0 HA TYR A 55 65.193 8.063 7.220 1.00 0.00 H new ATOM 0 HB2 TYR A 55 65.041 5.380 5.757 1.00 0.00 H new ATOM 0 HB3 TYR A 55 64.528 6.911 5.076 1.00 0.00 H new ATOM 0 HD1 TYR A 55 67.511 5.397 6.812 1.00 0.00 H new ATOM 0 HD2 TYR A 55 66.092 8.172 3.857 1.00 0.00 H new ATOM 0 HE1 TYR A 55 69.850 5.886 6.148 1.00 0.00 H new ATOM 0 HE2 TYR A 55 68.433 8.659 3.192 1.00 0.00 H new ATOM 0 HH TYR A 55 70.598 8.235 3.535 1.00 0.00 H new ATOM 831 N GLY A 56 63.192 5.748 8.309 1.00 0.00 N ATOM 832 CA GLY A 56 61.810 5.491 8.713 1.00 0.00 C ATOM 833 C GLY A 56 61.016 4.829 7.590 1.00 0.00 C ATOM 834 O GLY A 56 59.812 5.046 7.452 1.00 0.00 O ATOM 0 H GLY A 56 63.872 5.066 8.646 1.00 0.00 H new ATOM 0 HA2 GLY A 56 61.800 4.850 9.595 1.00 0.00 H new ATOM 0 HA3 GLY A 56 61.331 6.429 8.995 1.00 0.00 H new ATOM 838 N VAL A 57 61.700 4.015 6.792 1.00 0.00 N ATOM 839 CA VAL A 57 61.046 3.319 5.684 1.00 0.00 C ATOM 840 C VAL A 57 60.508 1.971 6.154 1.00 0.00 C ATOM 841 O VAL A 57 61.244 1.165 6.722 1.00 0.00 O ATOM 842 CB VAL A 57 62.040 3.082 4.542 1.00 0.00 C ATOM 843 CG1 VAL A 57 61.308 2.500 3.322 1.00 0.00 C ATOM 844 CG2 VAL A 57 62.710 4.410 4.164 1.00 0.00 C ATOM 0 H VAL A 57 62.697 3.821 6.888 1.00 0.00 H new ATOM 0 HA VAL A 57 60.224 3.941 5.330 1.00 0.00 H new ATOM 0 HB VAL A 57 62.801 2.373 4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 57 62.021 2.334 2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 57 60.842 1.553 3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 57 60.541 3.199 2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 57 63.417 4.242 3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 57 61.950 5.122 3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 57 63.239 4.810 5.029 1.00 0.00 H new ATOM 854 N GLN A 58 59.218 1.727 5.912 1.00 0.00 N ATOM 855 CA GLN A 58 58.618 0.458 6.327 1.00 0.00 C ATOM 856 C GLN A 58 57.154 0.348 5.884 1.00 0.00 C ATOM 857 O GLN A 58 56.239 0.307 6.710 1.00 0.00 O ATOM 858 CB GLN A 58 58.690 0.309 7.853 1.00 0.00 C ATOM 859 CG GLN A 58 58.307 -1.119 8.244 1.00 0.00 C ATOM 860 CD GLN A 58 57.884 -1.149 9.709 1.00 0.00 C ATOM 861 OE1 GLN A 58 57.271 -0.204 10.204 1.00 0.00 O ATOM 862 NE2 GLN A 58 58.177 -2.191 10.439 1.00 0.00 N ATOM 0 H GLN A 58 58.583 2.373 5.443 1.00 0.00 H new ATOM 0 HA GLN A 58 59.186 -0.338 5.846 1.00 0.00 H new ATOM 0 HB2 GLN A 58 59.697 0.536 8.204 1.00 0.00 H new ATOM 0 HB3 GLN A 58 58.017 1.021 8.331 1.00 0.00 H new ATOM 0 HG2 GLN A 58 57.493 -1.475 7.612 1.00 0.00 H new ATOM 0 HG3 GLN A 58 59.151 -1.790 8.084 1.00 0.00 H new ATOM 0 HE21 GLN A 58 58.685 -2.975 10.029 1.00 0.00 H new ATOM 0 HE22 GLN A 58 57.898 -2.222 11.420 1.00 0.00 H new ATOM 871 N LEU A 59 56.938 0.277 4.571 1.00 0.00 N ATOM 872 CA LEU A 59 55.574 0.143 4.046 1.00 0.00 C ATOM 873 C LEU A 59 55.425 -1.142 3.229 1.00 0.00 C ATOM 874 O LEU A 59 54.497 -1.277 2.431 1.00 0.00 O ATOM 875 CB LEU A 59 55.187 1.338 3.166 1.00 0.00 C ATOM 876 CG LEU A 59 56.342 2.065 2.473 1.00 0.00 C ATOM 877 CD1 LEU A 59 56.690 1.360 1.159 1.00 0.00 C ATOM 878 CD2 LEU A 59 55.920 3.510 2.181 1.00 0.00 C ATOM 0 H LEU A 59 57.671 0.309 3.862 1.00 0.00 H new ATOM 0 HA LEU A 59 54.908 0.108 4.908 1.00 0.00 H new ATOM 0 HB2 LEU A 59 54.492 0.990 2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 59 54.649 2.058 3.782 1.00 0.00 H new ATOM 0 HG LEU A 59 57.217 2.057 3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 59 57.513 1.883 0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 59 56.986 0.331 1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 59 55.819 1.363 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 59 56.738 4.035 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 59 55.045 3.509 1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 59 55.677 4.014 3.116 1.00 0.00 H new ATOM 890 N GLY A 60 56.338 -2.088 3.435 1.00 0.00 N ATOM 891 CA GLY A 60 56.283 -3.353 2.713 1.00 0.00 C ATOM 892 C GLY A 60 57.042 -4.443 3.463 1.00 0.00 C ATOM 893 O GLY A 60 58.272 -4.483 3.455 1.00 0.00 O ATOM 0 H GLY A 60 57.116 -2.003 4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 60 55.244 -3.655 2.579 1.00 0.00 H new ATOM 0 HA3 GLY A 60 56.709 -3.227 1.718 1.00 0.00 H new ATOM 897 N ASP A 61 56.291 -5.329 4.113 1.00 0.00 N ATOM 898 CA ASP A 61 56.901 -6.422 4.867 1.00 0.00 C ATOM 899 C ASP A 61 57.698 -7.330 3.940 1.00 0.00 C ATOM 900 O ASP A 61 58.877 -7.607 4.173 1.00 0.00 O ATOM 901 CB ASP A 61 55.825 -7.250 5.573 1.00 0.00 C ATOM 902 CG ASP A 61 54.998 -6.346 6.480 1.00 0.00 C ATOM 903 OD1 ASP A 61 55.503 -5.968 7.525 1.00 0.00 O ATOM 904 OD2 ASP A 61 53.874 -6.044 6.117 1.00 0.00 O ATOM 0 H ASP A 61 55.271 -5.313 4.134 1.00 0.00 H new ATOM 0 HA ASP A 61 57.569 -5.986 5.610 1.00 0.00 H new ATOM 0 HB2 ASP A 61 55.181 -7.731 4.837 1.00 0.00 H new ATOM 0 HB3 ASP A 61 56.289 -8.044 6.159 1.00 0.00 H new ATOM 909 N ASP A 62 57.043 -7.785 2.877 1.00 0.00 N ATOM 910 CA ASP A 62 57.696 -8.662 1.911 1.00 0.00 C ATOM 911 C ASP A 62 58.593 -7.879 0.948 1.00 0.00 C ATOM 912 O ASP A 62 59.228 -8.465 0.072 1.00 0.00 O ATOM 913 CB ASP A 62 56.658 -9.437 1.099 1.00 0.00 C ATOM 914 CG ASP A 62 55.663 -8.464 0.476 1.00 0.00 C ATOM 915 OD1 ASP A 62 56.036 -7.791 -0.470 1.00 0.00 O ATOM 916 OD2 ASP A 62 54.542 -8.406 0.954 1.00 0.00 O ATOM 0 H ASP A 62 56.070 -7.564 2.663 1.00 0.00 H new ATOM 0 HA ASP A 62 58.315 -9.355 2.481 1.00 0.00 H new ATOM 0 HB2 ASP A 62 57.151 -10.017 0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 62 56.135 -10.146 1.741 1.00 0.00 H new ATOM 921 N ALA A 63 58.666 -6.555 1.123 1.00 0.00 N ATOM 922 CA ALA A 63 59.514 -5.729 0.268 1.00 0.00 C ATOM 923 C ALA A 63 60.956 -6.212 0.349 1.00 0.00 C ATOM 924 O ALA A 63 61.705 -6.158 -0.627 1.00 0.00 O ATOM 925 CB ALA A 63 59.457 -4.273 0.721 1.00 0.00 C ATOM 0 H ALA A 63 58.154 -6.041 1.840 1.00 0.00 H new ATOM 0 HA ALA A 63 59.154 -5.807 -0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 63 60.093 -3.666 0.076 1.00 0.00 H new ATOM 0 HB2 ALA A 63 58.430 -3.913 0.660 1.00 0.00 H new ATOM 0 HB3 ALA A 63 59.807 -4.198 1.750 1.00 0.00 H new ATOM 931 N VAL A 64 61.327 -6.700 1.530 1.00 0.00 N ATOM 932 CA VAL A 64 62.676 -7.211 1.736 1.00 0.00 C ATOM 933 C VAL A 64 62.900 -8.443 0.865 1.00 0.00 C ATOM 934 O VAL A 64 64.015 -8.713 0.420 1.00 0.00 O ATOM 935 CB VAL A 64 62.893 -7.587 3.204 1.00 0.00 C ATOM 936 CG1 VAL A 64 64.364 -7.941 3.430 1.00 0.00 C ATOM 937 CG2 VAL A 64 62.513 -6.402 4.096 1.00 0.00 C ATOM 0 H VAL A 64 60.720 -6.752 2.348 1.00 0.00 H new ATOM 0 HA VAL A 64 63.385 -6.430 1.462 1.00 0.00 H new ATOM 0 HB VAL A 64 62.270 -8.446 3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 64 64.517 -8.209 4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 64 64.637 -8.784 2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 64 64.987 -7.083 3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 64 62.667 -6.669 5.141 1.00 0.00 H new ATOM 0 HG22 VAL A 64 63.136 -5.543 3.845 1.00 0.00 H new ATOM 0 HG23 VAL A 64 61.465 -6.149 3.937 1.00 0.00 H new ATOM 947 N GLU A 65 61.820 -9.188 0.622 1.00 0.00 N ATOM 948 CA GLU A 65 61.907 -10.387 -0.202 1.00 0.00 C ATOM 949 C GLU A 65 62.101 -10.007 -1.667 1.00 0.00 C ATOM 950 O GLU A 65 62.946 -10.569 -2.363 1.00 0.00 O ATOM 951 CB GLU A 65 60.633 -11.224 -0.067 1.00 0.00 C ATOM 952 CG GLU A 65 60.879 -12.624 -0.634 1.00 0.00 C ATOM 953 CD GLU A 65 60.454 -12.663 -2.098 1.00 0.00 C ATOM 954 OE1 GLU A 65 59.452 -12.045 -2.420 1.00 0.00 O ATOM 955 OE2 GLU A 65 61.136 -13.309 -2.876 1.00 0.00 O ATOM 0 H GLU A 65 60.887 -8.983 0.981 1.00 0.00 H new ATOM 0 HA GLU A 65 62.760 -10.972 0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 65 60.339 -11.291 0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 65 59.812 -10.744 -0.599 1.00 0.00 H new ATOM 0 HG2 GLU A 65 61.934 -12.884 -0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 65 60.318 -13.363 -0.062 1.00 0.00 H new ATOM 962 N LYS A 66 61.305 -9.043 -2.124 1.00 0.00 N ATOM 963 CA LYS A 66 61.391 -8.587 -3.508 1.00 0.00 C ATOM 964 C LYS A 66 62.755 -7.962 -3.777 1.00 0.00 C ATOM 965 O LYS A 66 63.325 -8.119 -4.857 1.00 0.00 O ATOM 966 CB LYS A 66 60.302 -7.553 -3.801 1.00 0.00 C ATOM 967 CG LYS A 66 58.971 -8.265 -4.067 1.00 0.00 C ATOM 968 CD LYS A 66 58.728 -8.359 -5.576 1.00 0.00 C ATOM 969 CE LYS A 66 59.223 -9.712 -6.091 1.00 0.00 C ATOM 970 NZ LYS A 66 58.443 -10.806 -5.447 1.00 0.00 N ATOM 0 H LYS A 66 60.600 -8.567 -1.562 1.00 0.00 H new ATOM 0 HA LYS A 66 61.252 -9.452 -4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 66 60.198 -6.871 -2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 66 60.582 -6.951 -4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 66 58.988 -9.263 -3.629 1.00 0.00 H new ATOM 0 HG3 LYS A 66 58.155 -7.721 -3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 66 57.666 -8.243 -5.792 1.00 0.00 H new ATOM 0 HD3 LYS A 66 59.248 -7.550 -6.090 1.00 0.00 H new ATOM 0 HE2 LYS A 66 59.114 -9.763 -7.174 1.00 0.00 H new ATOM 0 HE3 LYS A 66 60.284 -9.830 -5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 58.282 -11.569 -6.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 58.974 -11.179 -4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 57.528 -10.434 -5.121 1.00 0.00 H new ATOM 984 N ALA A 67 63.273 -7.250 -2.780 1.00 0.00 N ATOM 985 CA ALA A 67 64.577 -6.598 -2.911 1.00 0.00 C ATOM 986 C ALA A 67 65.666 -7.622 -3.220 1.00 0.00 C ATOM 987 O ALA A 67 66.206 -8.268 -2.322 1.00 0.00 O ATOM 988 CB ALA A 67 64.944 -5.864 -1.621 1.00 0.00 C ATOM 0 H ALA A 67 62.816 -7.109 -1.879 1.00 0.00 H new ATOM 0 HA ALA A 67 64.507 -5.884 -3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 67 65.917 -5.386 -1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 67 64.191 -5.106 -1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 67 64.987 -6.576 -0.797 1.00 0.00 H new ATOM 994 N THR A 68 65.989 -7.754 -4.504 1.00 0.00 N ATOM 995 CA THR A 68 67.027 -8.688 -4.929 1.00 0.00 C ATOM 996 C THR A 68 68.300 -7.922 -5.279 1.00 0.00 C ATOM 997 O THR A 68 69.413 -8.407 -5.080 1.00 0.00 O ATOM 998 CB THR A 68 66.569 -9.498 -6.147 1.00 0.00 C ATOM 999 OG1 THR A 68 67.621 -10.357 -6.564 1.00 0.00 O ATOM 1000 CG2 THR A 68 66.198 -8.552 -7.292 1.00 0.00 C ATOM 0 H THR A 68 65.551 -7.231 -5.262 1.00 0.00 H new ATOM 0 HA THR A 68 67.224 -9.376 -4.107 1.00 0.00 H new ATOM 0 HB THR A 68 65.696 -10.092 -5.877 1.00 0.00 H new ATOM 0 HG1 THR A 68 67.330 -10.877 -7.342 1.00 0.00 H new ATOM 0 HG21 THR A 68 65.873 -9.134 -8.154 1.00 0.00 H new ATOM 0 HG22 THR A 68 65.389 -7.894 -6.973 1.00 0.00 H new ATOM 0 HG23 THR A 68 67.067 -7.953 -7.565 1.00 0.00 H new ATOM 1008 N THR A 69 68.116 -6.710 -5.795 1.00 0.00 N ATOM 1009 CA THR A 69 69.243 -5.859 -6.164 1.00 0.00 C ATOM 1010 C THR A 69 69.330 -4.684 -5.189 1.00 0.00 C ATOM 1011 O THR A 69 68.397 -4.442 -4.423 1.00 0.00 O ATOM 1012 CB THR A 69 69.066 -5.307 -7.591 1.00 0.00 C ATOM 1013 OG1 THR A 69 67.719 -5.486 -8.011 1.00 0.00 O ATOM 1014 CG2 THR A 69 69.997 -6.042 -8.554 1.00 0.00 C ATOM 0 H THR A 69 67.200 -6.296 -5.967 1.00 0.00 H new ATOM 0 HA THR A 69 70.154 -6.456 -6.124 1.00 0.00 H new ATOM 0 HB THR A 69 69.311 -4.245 -7.592 1.00 0.00 H new ATOM 0 HG1 THR A 69 67.610 -5.132 -8.918 1.00 0.00 H new ATOM 0 HG21 THR A 69 69.866 -5.646 -9.561 1.00 0.00 H new ATOM 0 HG22 THR A 69 71.031 -5.900 -8.240 1.00 0.00 H new ATOM 0 HG23 THR A 69 69.759 -7.106 -8.549 1.00 0.00 H new ATOM 1022 N PRO A 70 70.429 -3.917 -5.214 1.00 0.00 N ATOM 1023 CA PRO A 70 70.569 -2.758 -4.319 1.00 0.00 C ATOM 1024 C PRO A 70 69.611 -1.646 -4.718 1.00 0.00 C ATOM 1025 O PRO A 70 69.067 -0.938 -3.873 1.00 0.00 O ATOM 1026 CB PRO A 70 72.024 -2.354 -4.514 1.00 0.00 C ATOM 1027 CG PRO A 70 72.445 -2.899 -5.869 1.00 0.00 C ATOM 1028 CD PRO A 70 71.576 -4.131 -6.129 1.00 0.00 C ATOM 0 HA PRO A 70 70.329 -2.975 -3.278 1.00 0.00 H new ATOM 0 HB2 PRO A 70 72.133 -1.270 -4.481 1.00 0.00 H new ATOM 0 HB3 PRO A 70 72.650 -2.762 -3.720 1.00 0.00 H new ATOM 0 HG2 PRO A 70 72.302 -2.152 -6.649 1.00 0.00 H new ATOM 0 HG3 PRO A 70 73.503 -3.163 -5.870 1.00 0.00 H new ATOM 0 HD2 PRO A 70 71.258 -4.191 -7.170 1.00 0.00 H new ATOM 0 HD3 PRO A 70 72.107 -5.056 -5.904 1.00 0.00 H new ATOM 1036 N ARG A 71 69.390 -1.525 -6.024 1.00 0.00 N ATOM 1037 CA ARG A 71 68.470 -0.520 -6.538 1.00 0.00 C ATOM 1038 C ARG A 71 67.055 -0.781 -6.014 1.00 0.00 C ATOM 1039 O ARG A 71 66.242 0.138 -5.909 1.00 0.00 O ATOM 1040 CB ARG A 71 68.445 -0.546 -8.067 1.00 0.00 C ATOM 1041 CG ARG A 71 69.859 -0.316 -8.604 1.00 0.00 C ATOM 1042 CD ARG A 71 70.187 1.177 -8.553 1.00 0.00 C ATOM 1043 NE ARG A 71 71.065 1.546 -9.665 1.00 0.00 N ATOM 1044 CZ ARG A 71 71.487 2.805 -9.853 1.00 0.00 C ATOM 1045 NH1 ARG A 71 71.128 3.771 -9.042 1.00 0.00 N ATOM 1046 NH2 ARG A 71 72.269 3.074 -10.862 1.00 0.00 N ATOM 0 H ARG A 71 69.831 -2.105 -6.738 1.00 0.00 H new ATOM 0 HA ARG A 71 68.814 0.457 -6.199 1.00 0.00 H new ATOM 0 HB2 ARG A 71 68.062 -1.504 -8.419 1.00 0.00 H new ATOM 0 HB3 ARG A 71 67.772 0.224 -8.444 1.00 0.00 H new ATOM 0 HG2 ARG A 71 70.581 -0.878 -8.011 1.00 0.00 H new ATOM 0 HG3 ARG A 71 69.934 -0.681 -9.628 1.00 0.00 H new ATOM 0 HD2 ARG A 71 69.267 1.760 -8.599 1.00 0.00 H new ATOM 0 HD3 ARG A 71 70.669 1.418 -7.606 1.00 0.00 H new ATOM 0 HE ARG A 71 71.365 0.822 -10.318 1.00 0.00 H new ATOM 0 HH11 ARG A 71 70.517 3.571 -8.250 1.00 0.00 H new ATOM 0 HH12 ARG A 71 71.460 4.722 -9.203 1.00 0.00 H new ATOM 0 HH21 ARG A 71 72.554 2.330 -11.499 1.00 0.00 H new ATOM 0 HH22 ARG A 71 72.596 4.028 -11.014 1.00 0.00 H new ATOM 1060 N ALA A 72 66.770 -2.045 -5.681 1.00 0.00 N ATOM 1061 CA ALA A 72 65.451 -2.403 -5.165 1.00 0.00 C ATOM 1062 C ALA A 72 65.239 -1.771 -3.796 1.00 0.00 C ATOM 1063 O ALA A 72 64.270 -1.047 -3.570 1.00 0.00 O ATOM 1064 CB ALA A 72 65.318 -3.921 -5.041 1.00 0.00 C ATOM 0 H ALA A 72 67.425 -2.823 -5.759 1.00 0.00 H new ATOM 0 HA ALA A 72 64.699 -2.033 -5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 72 64.329 -4.169 -4.655 1.00 0.00 H new ATOM 0 HB2 ALA A 72 65.451 -4.379 -6.021 1.00 0.00 H new ATOM 0 HB3 ALA A 72 66.079 -4.298 -4.358 1.00 0.00 H new ATOM 1070 N LEU A 73 66.171 -2.047 -2.888 1.00 0.00 N ATOM 1071 CA LEU A 73 66.102 -1.497 -1.530 1.00 0.00 C ATOM 1072 C LEU A 73 66.001 0.024 -1.581 1.00 0.00 C ATOM 1073 O LEU A 73 65.192 0.633 -0.882 1.00 0.00 O ATOM 1074 CB LEU A 73 67.350 -1.874 -0.730 1.00 0.00 C ATOM 1075 CG LEU A 73 67.667 -3.368 -0.690 1.00 0.00 C ATOM 1076 CD1 LEU A 73 69.053 -3.581 -0.078 1.00 0.00 C ATOM 1077 CD2 LEU A 73 66.618 -4.085 0.164 1.00 0.00 C ATOM 0 H LEU A 73 66.980 -2.644 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 73 65.219 -1.914 -1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 73 68.206 -1.348 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 73 67.229 -1.517 0.293 1.00 0.00 H new ATOM 0 HG LEU A 73 67.653 -3.771 -1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 73 69.278 -4.647 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 73 69.801 -3.068 -0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 73 69.069 -3.180 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.841 -5.151 0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.635 -3.681 1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.630 -3.933 -0.270 1.00 0.00 H new ATOM 1089 N ILE A 74 66.827 0.626 -2.433 1.00 0.00 N ATOM 1090 CA ILE A 74 66.818 2.079 -2.589 1.00 0.00 C ATOM 1091 C ILE A 74 65.447 2.533 -3.085 1.00 0.00 C ATOM 1092 O ILE A 74 64.922 3.558 -2.654 1.00 0.00 O ATOM 1093 CB ILE A 74 67.897 2.528 -3.584 1.00 0.00 C ATOM 1094 CG1 ILE A 74 69.268 2.055 -3.097 1.00 0.00 C ATOM 1095 CG2 ILE A 74 67.908 4.057 -3.693 1.00 0.00 C ATOM 1096 CD1 ILE A 74 70.294 2.232 -4.217 1.00 0.00 C ATOM 0 H ILE A 74 67.504 0.138 -3.020 1.00 0.00 H new ATOM 0 HA ILE A 74 67.029 2.531 -1.620 1.00 0.00 H new ATOM 0 HB ILE A 74 67.678 2.096 -4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 74 69.570 2.625 -2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 74 69.218 1.008 -2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 74 68.677 4.366 -4.401 1.00 0.00 H new ATOM 0 HG22 ILE A 74 66.935 4.404 -4.040 1.00 0.00 H new ATOM 0 HG23 ILE A 74 68.120 4.490 -2.715 1.00 0.00 H new ATOM 0 HD11 ILE A 74 71.271 1.895 -3.872 1.00 0.00 H new ATOM 0 HD12 ILE A 74 69.993 1.643 -5.083 1.00 0.00 H new ATOM 0 HD13 ILE A 74 70.350 3.284 -4.496 1.00 0.00 H new ATOM 1108 N GLU A 75 64.866 1.747 -3.988 1.00 0.00 N ATOM 1109 CA GLU A 75 63.547 2.075 -4.525 1.00 0.00 C ATOM 1110 C GLU A 75 62.525 2.094 -3.396 1.00 0.00 C ATOM 1111 O GLU A 75 61.774 3.054 -3.226 1.00 0.00 O ATOM 1112 CB GLU A 75 63.120 1.045 -5.576 1.00 0.00 C ATOM 1113 CG GLU A 75 63.511 1.543 -6.968 1.00 0.00 C ATOM 1114 CD GLU A 75 62.441 2.499 -7.485 1.00 0.00 C ATOM 1115 OE1 GLU A 75 61.485 2.024 -8.075 1.00 0.00 O ATOM 1116 OE2 GLU A 75 62.596 3.692 -7.286 1.00 0.00 O ATOM 0 H GLU A 75 65.279 0.891 -4.359 1.00 0.00 H new ATOM 0 HA GLU A 75 63.599 3.057 -4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 75 63.596 0.086 -5.375 1.00 0.00 H new ATOM 0 HB3 GLU A 75 62.043 0.883 -5.525 1.00 0.00 H new ATOM 0 HG2 GLU A 75 64.476 2.048 -6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 75 63.621 0.700 -7.650 1.00 0.00 H new ATOM 1123 N MET A 76 62.521 1.017 -2.621 1.00 0.00 N ATOM 1124 CA MET A 76 61.616 0.893 -1.493 1.00 0.00 C ATOM 1125 C MET A 76 61.876 1.999 -0.475 1.00 0.00 C ATOM 1126 O MET A 76 60.948 2.587 0.080 1.00 0.00 O ATOM 1127 CB MET A 76 61.827 -0.468 -0.822 1.00 0.00 C ATOM 1128 CG MET A 76 60.477 -1.089 -0.454 1.00 0.00 C ATOM 1129 SD MET A 76 60.356 -1.299 1.343 1.00 0.00 S ATOM 1130 CE MET A 76 58.595 -0.926 1.495 1.00 0.00 C ATOM 0 H MET A 76 63.138 0.216 -2.756 1.00 0.00 H new ATOM 0 HA MET A 76 60.591 0.979 -1.854 1.00 0.00 H new ATOM 0 HB2 MET A 76 62.371 -1.133 -1.493 1.00 0.00 H new ATOM 0 HB3 MET A 76 62.438 -0.350 0.073 1.00 0.00 H new ATOM 0 HG2 MET A 76 59.666 -0.452 -0.809 1.00 0.00 H new ATOM 0 HG3 MET A 76 60.365 -2.054 -0.949 1.00 0.00 H new ATOM 0 HE1 MET A 76 58.312 -0.928 2.548 1.00 0.00 H new ATOM 0 HE2 MET A 76 58.393 0.056 1.066 1.00 0.00 H new ATOM 0 HE3 MET A 76 58.016 -1.681 0.963 1.00 0.00 H new ATOM 1140 N THR A 77 63.156 2.264 -0.234 1.00 0.00 N ATOM 1141 CA THR A 77 63.548 3.291 0.724 1.00 0.00 C ATOM 1142 C THR A 77 63.122 4.674 0.240 1.00 0.00 C ATOM 1143 O THR A 77 62.746 5.535 1.031 1.00 0.00 O ATOM 1144 CB THR A 77 65.066 3.277 0.922 1.00 0.00 C ATOM 1145 OG1 THR A 77 65.488 1.959 1.244 1.00 0.00 O ATOM 1146 CG2 THR A 77 65.449 4.228 2.057 1.00 0.00 C ATOM 0 H THR A 77 63.935 1.785 -0.686 1.00 0.00 H new ATOM 0 HA THR A 77 63.051 3.075 1.670 1.00 0.00 H new ATOM 0 HB THR A 77 65.553 3.602 0.002 1.00 0.00 H new ATOM 0 HG1 THR A 77 65.779 1.500 0.428 1.00 0.00 H new ATOM 0 HG21 THR A 77 66.530 4.214 2.194 1.00 0.00 H new ATOM 0 HG22 THR A 77 65.127 5.239 1.808 1.00 0.00 H new ATOM 0 HG23 THR A 77 64.963 3.909 2.979 1.00 0.00 H new ATOM 1154 N ASN A 78 63.191 4.876 -1.067 1.00 0.00 N ATOM 1155 CA ASN A 78 62.819 6.163 -1.645 1.00 0.00 C ATOM 1156 C ASN A 78 61.307 6.286 -1.752 1.00 0.00 C ATOM 1157 O ASN A 78 60.750 7.367 -1.605 1.00 0.00 O ATOM 1158 CB ASN A 78 63.420 6.314 -3.043 1.00 0.00 C ATOM 1159 CG ASN A 78 64.865 6.784 -2.934 1.00 0.00 C ATOM 1160 OD1 ASN A 78 65.190 7.914 -3.291 1.00 0.00 O ATOM 1161 ND2 ASN A 78 65.765 5.977 -2.457 1.00 0.00 N ATOM 0 H ASN A 78 63.497 4.176 -1.743 1.00 0.00 H new ATOM 0 HA ASN A 78 63.204 6.945 -0.990 1.00 0.00 H new ATOM 0 HB2 ASN A 78 63.376 5.362 -3.573 1.00 0.00 H new ATOM 0 HB3 ASN A 78 62.838 7.029 -3.624 1.00 0.00 H new ATOM 0 HD21 ASN A 78 66.735 6.283 -2.381 1.00 0.00 H new ATOM 0 HD22 ASN A 78 65.501 5.038 -2.159 1.00 0.00 H new ATOM 1168 N ALA A 79 60.657 5.160 -2.016 1.00 0.00 N ATOM 1169 CA ALA A 79 59.204 5.136 -2.158 1.00 0.00 C ATOM 1170 C ALA A 79 58.529 5.552 -0.861 1.00 0.00 C ATOM 1171 O ALA A 79 57.536 6.280 -0.866 1.00 0.00 O ATOM 1172 CB ALA A 79 58.727 3.734 -2.541 1.00 0.00 C ATOM 0 H ALA A 79 61.109 4.254 -2.136 1.00 0.00 H new ATOM 0 HA ALA A 79 58.935 5.840 -2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 79 57.642 3.734 -2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 79 59.180 3.442 -3.488 1.00 0.00 H new ATOM 0 HB3 ALA A 79 59.019 3.026 -1.765 1.00 0.00 H new ATOM 1178 N SER A 80 59.075 5.078 0.249 1.00 0.00 N ATOM 1179 CA SER A 80 58.515 5.404 1.551 1.00 0.00 C ATOM 1180 C SER A 80 58.821 6.852 1.906 1.00 0.00 C ATOM 1181 O SER A 80 57.952 7.591 2.369 1.00 0.00 O ATOM 1182 CB SER A 80 59.067 4.453 2.628 1.00 0.00 C ATOM 1183 OG SER A 80 60.203 5.031 3.262 1.00 0.00 O ATOM 0 H SER A 80 59.896 4.473 0.275 1.00 0.00 H new ATOM 0 HA SER A 80 57.433 5.279 1.508 1.00 0.00 H new ATOM 0 HB2 SER A 80 58.295 4.245 3.369 1.00 0.00 H new ATOM 0 HB3 SER A 80 59.340 3.500 2.176 1.00 0.00 H new ATOM 0 HG SER A 80 59.908 5.621 3.986 1.00 0.00 H new ATOM 1189 N LEU A 81 60.065 7.245 1.684 1.00 0.00 N ATOM 1190 CA LEU A 81 60.480 8.603 1.984 1.00 0.00 C ATOM 1191 C LEU A 81 59.785 9.607 1.069 1.00 0.00 C ATOM 1192 O LEU A 81 59.255 10.617 1.533 1.00 0.00 O ATOM 1193 CB LEU A 81 61.987 8.707 1.838 1.00 0.00 C ATOM 1194 CG LEU A 81 62.747 7.772 2.774 1.00 0.00 C ATOM 1195 CD1 LEU A 81 64.201 7.647 2.326 1.00 0.00 C ATOM 1196 CD2 LEU A 81 62.687 8.330 4.192 1.00 0.00 C ATOM 0 H LEU A 81 60.798 6.648 1.301 1.00 0.00 H new ATOM 0 HA LEU A 81 60.194 8.840 3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 81 62.262 8.482 0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 81 62.294 9.734 2.033 1.00 0.00 H new ATOM 0 HG LEU A 81 62.289 6.783 2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 81 64.734 6.977 3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 81 64.236 7.245 1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 81 64.673 8.630 2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 81 63.228 7.667 4.867 1.00 0.00 H new ATOM 0 HD22 LEU A 81 63.143 9.320 4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 81 61.647 8.402 4.511 1.00 0.00 H new ATOM 1208 N THR A 82 59.783 9.327 -0.232 1.00 0.00 N ATOM 1209 CA THR A 82 59.133 10.233 -1.180 1.00 0.00 C ATOM 1210 C THR A 82 57.607 10.096 -1.100 1.00 0.00 C ATOM 1211 O THR A 82 56.870 11.043 -1.372 1.00 0.00 O ATOM 1212 CB THR A 82 59.617 9.973 -2.624 1.00 0.00 C ATOM 1213 OG1 THR A 82 59.236 11.068 -3.445 1.00 0.00 O ATOM 1214 CG2 THR A 82 59.012 8.681 -3.196 1.00 0.00 C ATOM 0 H THR A 82 60.213 8.501 -0.648 1.00 0.00 H new ATOM 0 HA THR A 82 59.409 11.252 -0.907 1.00 0.00 H new ATOM 0 HB THR A 82 60.701 9.863 -2.607 1.00 0.00 H new ATOM 0 HG1 THR A 82 59.541 10.911 -4.363 1.00 0.00 H new ATOM 0 HG21 THR A 82 59.374 8.529 -4.213 1.00 0.00 H new ATOM 0 HG22 THR A 82 59.308 7.835 -2.575 1.00 0.00 H new ATOM 0 HG23 THR A 82 57.925 8.761 -3.206 1.00 0.00 H new ATOM 1222 N GLY A 83 57.146 8.901 -0.728 1.00 0.00 N ATOM 1223 CA GLY A 83 55.711 8.648 -0.623 1.00 0.00 C ATOM 1224 C GLY A 83 55.146 9.203 0.681 1.00 0.00 C ATOM 1225 O GLY A 83 53.979 9.585 0.753 1.00 0.00 O ATOM 0 H GLY A 83 57.738 8.103 -0.497 1.00 0.00 H new ATOM 0 HA2 GLY A 83 55.196 9.104 -1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 83 55.523 7.576 -0.676 1.00 0.00 H new ATOM 1229 N ALA A 84 55.987 9.244 1.713 1.00 0.00 N ATOM 1230 CA ALA A 84 55.556 9.753 3.014 1.00 0.00 C ATOM 1231 C ALA A 84 55.086 11.202 2.896 1.00 0.00 C ATOM 1232 O ALA A 84 53.888 11.482 2.893 1.00 0.00 O ATOM 1233 CB ALA A 84 56.701 9.670 4.028 1.00 0.00 C ATOM 0 H ALA A 84 56.958 8.935 1.676 1.00 0.00 H new ATOM 0 HA ALA A 84 54.726 9.136 3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 84 56.363 10.053 4.991 1.00 0.00 H new ATOM 0 HB2 ALA A 84 57.013 8.632 4.140 1.00 0.00 H new ATOM 0 HB3 ALA A 84 57.543 10.266 3.676 1.00 0.00 H new ATOM 1239 N SER A 85 56.047 12.121 2.793 1.00 0.00 N ATOM 1240 CA SER A 85 55.734 13.548 2.667 1.00 0.00 C ATOM 1241 C SER A 85 57.018 14.385 2.734 1.00 0.00 C ATOM 1242 O SER A 85 57.280 15.189 1.839 1.00 0.00 O ATOM 1243 CB SER A 85 54.769 14.007 3.772 1.00 0.00 C ATOM 1244 OG SER A 85 53.677 14.700 3.182 1.00 0.00 O ATOM 0 H SER A 85 57.044 11.906 2.794 1.00 0.00 H new ATOM 0 HA SER A 85 55.252 13.695 1.700 1.00 0.00 H new ATOM 0 HB2 SER A 85 54.407 13.147 4.336 1.00 0.00 H new ATOM 0 HB3 SER A 85 55.288 14.655 4.478 1.00 0.00 H new ATOM 0 HG SER A 85 53.058 14.993 3.883 1.00 0.00 H new ATOM 1250 N PRO A 86 57.839 14.216 3.788 1.00 0.00 N ATOM 1251 CA PRO A 86 59.091 14.983 3.924 1.00 0.00 C ATOM 1252 C PRO A 86 60.237 14.383 3.113 1.00 0.00 C ATOM 1253 O PRO A 86 60.949 13.495 3.581 1.00 0.00 O ATOM 1254 CB PRO A 86 59.374 14.884 5.417 1.00 0.00 C ATOM 1255 CG PRO A 86 58.667 13.633 5.925 1.00 0.00 C ATOM 1256 CD PRO A 86 57.587 13.267 4.900 1.00 0.00 C ATOM 0 HA PRO A 86 59.000 16.003 3.552 1.00 0.00 H new ATOM 0 HB2 PRO A 86 60.446 14.823 5.603 1.00 0.00 H new ATOM 0 HB3 PRO A 86 59.011 15.770 5.938 1.00 0.00 H new ATOM 0 HG2 PRO A 86 59.376 12.814 6.045 1.00 0.00 H new ATOM 0 HG3 PRO A 86 58.222 13.815 6.903 1.00 0.00 H new ATOM 0 HD2 PRO A 86 57.677 12.231 4.573 1.00 0.00 H new ATOM 0 HD3 PRO A 86 56.585 13.386 5.311 1.00 0.00 H new ATOM 1264 N SER A 87 60.405 14.880 1.891 1.00 0.00 N ATOM 1265 CA SER A 87 61.468 14.388 1.018 1.00 0.00 C ATOM 1266 C SER A 87 62.622 15.384 0.970 1.00 0.00 C ATOM 1267 O SER A 87 63.786 15.002 0.843 1.00 0.00 O ATOM 1268 CB SER A 87 60.938 14.169 -0.399 1.00 0.00 C ATOM 1269 OG SER A 87 60.197 15.313 -0.804 1.00 0.00 O ATOM 0 H SER A 87 59.826 15.615 1.485 1.00 0.00 H new ATOM 0 HA SER A 87 61.824 13.440 1.422 1.00 0.00 H new ATOM 0 HB2 SER A 87 61.766 13.995 -1.087 1.00 0.00 H new ATOM 0 HB3 SER A 87 60.306 13.282 -0.430 1.00 0.00 H new ATOM 0 HG SER A 87 59.857 15.177 -1.713 1.00 0.00 H new ATOM 1275 N ALA A 88 62.286 16.666 1.074 1.00 0.00 N ATOM 1276 CA ALA A 88 63.302 17.715 1.041 1.00 0.00 C ATOM 1277 C ALA A 88 63.898 17.923 2.429 1.00 0.00 C ATOM 1278 O ALA A 88 65.116 17.988 2.594 1.00 0.00 O ATOM 1279 CB ALA A 88 62.695 19.033 0.556 1.00 0.00 C ATOM 0 H ALA A 88 61.329 17.002 1.181 1.00 0.00 H new ATOM 0 HA ALA A 88 64.087 17.402 0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 88 63.466 19.804 0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 88 62.291 18.900 -0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 88 61.895 19.336 1.232 1.00 0.00 H new ATOM 1285 N GLY A 89 63.024 18.027 3.426 1.00 0.00 N ATOM 1286 CA GLY A 89 63.472 18.229 4.801 1.00 0.00 C ATOM 1287 C GLY A 89 63.798 19.697 5.054 1.00 0.00 C ATOM 1288 O GLY A 89 63.341 20.582 4.331 1.00 0.00 O ATOM 0 H GLY A 89 62.012 17.976 3.310 1.00 0.00 H new ATOM 0 HA2 GLY A 89 62.697 17.899 5.493 1.00 0.00 H new ATOM 0 HA3 GLY A 89 64.353 17.617 4.995 1.00 0.00 H new ATOM 1292 N GLY A 90 64.592 19.944 6.092 1.00 0.00 N ATOM 1293 CA GLY A 90 64.975 21.310 6.437 1.00 0.00 C ATOM 1294 C GLY A 90 66.493 21.454 6.472 1.00 0.00 C ATOM 1295 O GLY A 90 67.115 21.867 5.494 1.00 0.00 O ATOM 0 H GLY A 90 64.979 19.225 6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 90 64.556 22.005 5.709 1.00 0.00 H new ATOM 0 HA3 GLY A 90 64.557 21.575 7.408 1.00 0.00 H new ATOM 1299 N ALA A 91 67.081 21.107 7.613 1.00 0.00 N ATOM 1300 CA ALA A 91 68.530 21.199 7.771 1.00 0.00 C ATOM 1301 C ALA A 91 69.173 19.829 7.593 1.00 0.00 C ATOM 1302 O ALA A 91 68.795 18.858 8.248 1.00 0.00 O ATOM 1303 CB ALA A 91 68.884 21.739 9.158 1.00 0.00 C ATOM 0 H ALA A 91 66.583 20.763 8.434 1.00 0.00 H new ATOM 0 HA ALA A 91 68.909 21.880 7.009 1.00 0.00 H new ATOM 0 HB1 ALA A 91 69.968 21.801 9.259 1.00 0.00 H new ATOM 0 HB2 ALA A 91 68.450 22.731 9.284 1.00 0.00 H new ATOM 0 HB3 ALA A 91 68.486 21.070 9.921 1.00 0.00 H new ATOM 1309 N ALA A 92 70.153 19.762 6.696 1.00 0.00 N ATOM 1310 CA ALA A 92 70.849 18.505 6.433 1.00 0.00 C ATOM 1311 C ALA A 92 72.078 18.377 7.328 1.00 0.00 C ATOM 1312 O ALA A 92 72.466 17.278 7.721 1.00 0.00 O ATOM 1313 CB ALA A 92 71.288 18.431 4.969 1.00 0.00 C ATOM 0 H ALA A 92 70.481 20.554 6.144 1.00 0.00 H new ATOM 0 HA ALA A 92 70.159 17.689 6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 92 71.805 17.488 4.791 1.00 0.00 H new ATOM 0 HB2 ALA A 92 70.412 18.492 4.323 1.00 0.00 H new ATOM 0 HB3 ALA A 92 71.960 19.260 4.748 1.00 0.00 H new ATOM 1319 N ARG A 93 72.688 19.517 7.644 1.00 0.00 N ATOM 1320 CA ARG A 93 73.875 19.525 8.493 1.00 0.00 C ATOM 1321 C ARG A 93 73.525 19.056 9.902 1.00 0.00 C ATOM 1322 O ARG A 93 73.318 19.862 10.809 1.00 0.00 O ATOM 1323 CB ARG A 93 74.470 20.934 8.568 1.00 0.00 C ATOM 1324 CG ARG A 93 75.212 21.245 7.267 1.00 0.00 C ATOM 1325 CD ARG A 93 75.072 22.733 6.941 1.00 0.00 C ATOM 1326 NE ARG A 93 76.047 23.521 7.699 1.00 0.00 N ATOM 1327 CZ ARG A 93 76.274 24.817 7.437 1.00 0.00 C ATOM 1328 NH1 ARG A 93 75.626 25.441 6.483 1.00 0.00 N ATOM 1329 NH2 ARG A 93 77.154 25.468 8.145 1.00 0.00 N ATOM 0 H ARG A 93 72.383 20.438 7.328 1.00 0.00 H new ATOM 0 HA ARG A 93 74.607 18.846 8.056 1.00 0.00 H new ATOM 0 HB2 ARG A 93 73.679 21.666 8.732 1.00 0.00 H new ATOM 0 HB3 ARG A 93 75.152 21.007 9.415 1.00 0.00 H new ATOM 0 HG2 ARG A 93 76.265 20.981 7.365 1.00 0.00 H new ATOM 0 HG3 ARG A 93 74.807 20.644 6.453 1.00 0.00 H new ATOM 0 HD2 ARG A 93 75.219 22.892 5.873 1.00 0.00 H new ATOM 0 HD3 ARG A 93 74.062 23.069 7.177 1.00 0.00 H new ATOM 0 HE ARG A 93 76.570 23.070 8.450 1.00 0.00 H new ATOM 0 HH11 ARG A 93 74.935 24.941 5.924 1.00 0.00 H new ATOM 0 HH12 ARG A 93 75.813 26.427 6.300 1.00 0.00 H new ATOM 0 HH21 ARG A 93 77.662 24.992 8.890 1.00 0.00 H new ATOM 0 HH22 ARG A 93 77.334 26.454 7.954 1.00 0.00 H new ATOM 1343 N ASP A 94 73.460 17.738 10.072 1.00 0.00 N ATOM 1344 CA ASP A 94 73.134 17.158 11.374 1.00 0.00 C ATOM 1345 C ASP A 94 71.748 17.607 11.827 1.00 0.00 C ATOM 1346 O ASP A 94 71.604 18.596 12.546 1.00 0.00 O ATOM 1347 CB ASP A 94 74.164 17.580 12.425 1.00 0.00 C ATOM 1348 CG ASP A 94 73.960 16.761 13.694 1.00 0.00 C ATOM 1349 OD1 ASP A 94 72.870 16.812 14.241 1.00 0.00 O ATOM 1350 OD2 ASP A 94 74.897 16.093 14.102 1.00 0.00 O ATOM 0 H ASP A 94 73.627 17.056 9.332 1.00 0.00 H new ATOM 0 HA ASP A 94 73.148 16.073 11.270 1.00 0.00 H new ATOM 0 HB2 ASP A 94 75.173 17.430 12.041 1.00 0.00 H new ATOM 0 HB3 ASP A 94 74.061 18.643 12.645 1.00 0.00 H new ATOM 1355 N LYS A 95 70.729 16.866 11.397 1.00 0.00 N ATOM 1356 CA LYS A 95 69.351 17.192 11.761 1.00 0.00 C ATOM 1357 C LYS A 95 68.977 18.582 11.252 1.00 0.00 C ATOM 1358 O LYS A 95 67.898 19.043 11.587 1.00 0.00 O ATOM 1359 CB LYS A 95 69.173 17.153 13.281 1.00 0.00 C ATOM 1360 CG LYS A 95 67.751 16.697 13.617 1.00 0.00 C ATOM 1361 CD LYS A 95 67.762 15.921 14.935 1.00 0.00 C ATOM 1362 CE LYS A 95 68.458 14.574 14.731 1.00 0.00 C ATOM 1363 NZ LYS A 95 67.948 13.594 15.730 1.00 0.00 N ATOM 1364 OXT LYS A 95 69.775 19.163 10.537 1.00 0.00 O ATOM 0 H LYS A 95 70.829 16.044 10.802 1.00 0.00 H new ATOM 0 HA LYS A 95 68.699 16.450 11.301 1.00 0.00 H new ATOM 0 HB2 LYS A 95 69.899 16.472 13.725 1.00 0.00 H new ATOM 0 HB3 LYS A 95 69.360 18.140 13.705 1.00 0.00 H new ATOM 0 HG2 LYS A 95 67.090 17.560 13.696 1.00 0.00 H new ATOM 0 HG3 LYS A 95 67.360 16.069 12.816 1.00 0.00 H new ATOM 0 HD2 LYS A 95 68.279 16.496 15.703 1.00 0.00 H new ATOM 0 HD3 LYS A 95 66.742 15.765 15.286 1.00 0.00 H new ATOM 0 HE2 LYS A 95 68.275 14.208 13.721 1.00 0.00 H new ATOM 0 HE3 LYS A 95 69.537 14.690 14.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 68.421 12.678 15.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 68.144 13.943 16.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 66.922 13.475 15.608 1.00 0.00 H new TER 1378 LYS A 95