USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=19 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 11 THR OG1 : rot 104:sc= 2.26 USER MOD Set 1.2: A 22 SER OG : rot -138:sc= 1.01 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.131 (180deg=-0.76) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0279 USER MOD Single : A 5 THR OG1 : rot -46:sc= 0.229 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 164:sc= -0.864 USER MOD Single : A 39 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.442 F(o=-1.6,f=-0.44) USER MOD Single : A 47 THR OG1 : rot -66:sc= -0.835 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.076) 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= -0.0465 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 89:sc= 1.13 USER MOD Single : A 78 ASN : amide:sc= -8.93! C(o=-8.9!,f=-11!) USER MOD Single : A 80 SER OG : rot -80:sc= -4.63! 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 37:sc= 1.25 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 61.599 12.398 5.218 1.00 0.00 N ATOM 2 CA MET A 1 63.084 12.495 5.272 1.00 0.00 C ATOM 3 C MET A 1 63.645 12.523 3.854 1.00 0.00 C ATOM 4 O MET A 1 62.897 12.540 2.876 1.00 0.00 O ATOM 5 CB MET A 1 63.647 11.285 6.021 1.00 0.00 C ATOM 6 CG MET A 1 63.326 11.414 7.512 1.00 0.00 C ATOM 7 SD MET A 1 64.566 10.513 8.476 1.00 0.00 S ATOM 8 CE MET A 1 64.847 11.788 9.729 1.00 0.00 C ATOM 0 H1 MET A 1 61.180 13.198 5.734 1.00 0.00 H new ATOM 0 H2 MET A 1 61.285 12.423 4.227 1.00 0.00 H new ATOM 0 H3 MET A 1 61.293 11.505 5.656 1.00 0.00 H new ATOM 0 HA MET A 1 63.370 13.409 5.792 1.00 0.00 H new ATOM 0 HB2 MET A 1 63.217 10.366 5.624 1.00 0.00 H new ATOM 0 HB3 MET A 1 64.725 11.222 5.874 1.00 0.00 H new ATOM 0 HG2 MET A 1 63.316 12.464 7.803 1.00 0.00 H new ATOM 0 HG3 MET A 1 62.332 11.017 7.717 1.00 0.00 H new ATOM 0 HE1 MET A 1 65.593 11.438 10.443 1.00 0.00 H new ATOM 0 HE2 MET A 1 65.204 12.698 9.248 1.00 0.00 H new ATOM 0 HE3 MET A 1 63.914 11.996 10.252 1.00 0.00 H new ATOM 20 N THR A 2 64.971 12.530 3.754 1.00 0.00 N ATOM 21 CA THR A 2 65.625 12.557 2.449 1.00 0.00 C ATOM 22 C THR A 2 65.613 11.170 1.815 1.00 0.00 C ATOM 23 O THR A 2 65.788 10.159 2.497 1.00 0.00 O ATOM 24 CB THR A 2 67.073 13.029 2.585 1.00 0.00 C ATOM 25 OG1 THR A 2 67.699 12.331 3.652 1.00 0.00 O ATOM 26 CG2 THR A 2 67.097 14.532 2.869 1.00 0.00 C ATOM 0 H THR A 2 65.608 12.518 4.551 1.00 0.00 H new ATOM 0 HA THR A 2 65.075 13.251 1.814 1.00 0.00 H new ATOM 0 HB THR A 2 67.610 12.829 1.657 1.00 0.00 H new ATOM 0 HG1 THR A 2 68.628 12.631 3.739 1.00 0.00 H new ATOM 0 HG21 THR A 2 68.130 14.868 2.966 1.00 0.00 H new ATOM 0 HG22 THR A 2 66.618 15.065 2.048 1.00 0.00 H new ATOM 0 HG23 THR A 2 66.561 14.736 3.796 1.00 0.00 H new ATOM 34 N LEU A 3 65.409 11.136 0.500 1.00 0.00 N ATOM 35 CA LEU A 3 65.377 9.870 -0.230 1.00 0.00 C ATOM 36 C LEU A 3 66.702 9.122 -0.064 1.00 0.00 C ATOM 37 O LEU A 3 67.489 9.427 0.832 1.00 0.00 O ATOM 38 CB LEU A 3 65.091 10.122 -1.714 1.00 0.00 C ATOM 39 CG LEU A 3 66.227 10.779 -2.504 1.00 0.00 C ATOM 40 CD1 LEU A 3 66.057 10.469 -3.993 1.00 0.00 C ATOM 41 CD2 LEU A 3 66.182 12.293 -2.290 1.00 0.00 C ATOM 0 H LEU A 3 65.264 11.963 -0.079 1.00 0.00 H new ATOM 0 HA LEU A 3 64.578 9.253 0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 3 64.848 9.170 -2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 3 64.205 10.752 -1.793 1.00 0.00 H new ATOM 0 HG LEU A 3 67.185 10.390 -2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 3 66.865 10.936 -4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 3 66.085 9.390 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 3 65.100 10.860 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 3 66.989 12.764 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 3 65.224 12.681 -2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 3 66.300 12.514 -1.229 1.00 0.00 H new ATOM 53 N LEU A 4 66.940 8.131 -0.922 1.00 0.00 N ATOM 54 CA LEU A 4 68.171 7.348 -0.830 1.00 0.00 C ATOM 55 C LEU A 4 68.862 7.257 -2.186 1.00 0.00 C ATOM 56 O LEU A 4 68.270 7.558 -3.222 1.00 0.00 O ATOM 57 CB LEU A 4 67.853 5.937 -0.333 1.00 0.00 C ATOM 58 CG LEU A 4 69.004 5.222 0.389 1.00 0.00 C ATOM 59 CD1 LEU A 4 68.469 4.485 1.619 1.00 0.00 C ATOM 60 CD2 LEU A 4 69.656 4.211 -0.559 1.00 0.00 C ATOM 0 H LEU A 4 66.310 7.855 -1.675 1.00 0.00 H new ATOM 0 HA LEU A 4 68.839 7.848 -0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 4 67.000 5.991 0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 4 67.547 5.330 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 4 69.741 5.962 0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 4 69.291 3.980 2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 4 68.007 5.200 2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 4 67.727 3.749 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 4 70.473 3.704 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 4 68.914 3.477 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 4 70.045 4.731 -1.434 1.00 0.00 H new ATOM 72 N THR A 5 70.123 6.831 -2.168 1.00 0.00 N ATOM 73 CA THR A 5 70.886 6.698 -3.405 1.00 0.00 C ATOM 74 C THR A 5 71.701 5.409 -3.401 1.00 0.00 C ATOM 75 O THR A 5 71.806 4.723 -2.385 1.00 0.00 O ATOM 76 CB THR A 5 71.835 7.883 -3.584 1.00 0.00 C ATOM 77 OG1 THR A 5 72.421 8.214 -2.333 1.00 0.00 O ATOM 78 CG2 THR A 5 71.053 9.080 -4.116 1.00 0.00 C ATOM 0 H THR A 5 70.632 6.575 -1.322 1.00 0.00 H new ATOM 0 HA THR A 5 70.174 6.674 -4.230 1.00 0.00 H new ATOM 0 HB THR A 5 72.621 7.619 -4.292 1.00 0.00 H new ATOM 0 HG1 THR A 5 71.726 8.240 -1.643 1.00 0.00 H new ATOM 0 HG21 THR A 5 71.727 9.927 -4.245 1.00 0.00 H new ATOM 0 HG22 THR A 5 70.604 8.824 -5.076 1.00 0.00 H new ATOM 0 HG23 THR A 5 70.268 9.346 -3.408 1.00 0.00 H new ATOM 86 N LEU A 6 72.279 5.094 -4.558 1.00 0.00 N ATOM 87 CA LEU A 6 73.091 3.886 -4.694 1.00 0.00 C ATOM 88 C LEU A 6 74.309 3.962 -3.783 1.00 0.00 C ATOM 89 O LEU A 6 74.679 2.987 -3.129 1.00 0.00 O ATOM 90 CB LEU A 6 73.564 3.716 -6.139 1.00 0.00 C ATOM 91 CG LEU A 6 72.491 3.935 -7.209 1.00 0.00 C ATOM 92 CD1 LEU A 6 73.075 3.623 -8.588 1.00 0.00 C ATOM 93 CD2 LEU A 6 71.304 3.009 -6.937 1.00 0.00 C ATOM 0 H LEU A 6 72.202 5.652 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 6 72.474 3.033 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 6 74.382 4.413 -6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 6 73.970 2.711 -6.255 1.00 0.00 H new ATOM 0 HG LEU A 6 72.157 4.972 -7.182 1.00 0.00 H new ATOM 0 HD11 LEU A 6 72.312 3.779 -9.350 1.00 0.00 H new ATOM 0 HD12 LEU A 6 73.921 4.282 -8.782 1.00 0.00 H new ATOM 0 HD13 LEU A 6 73.409 2.586 -8.616 1.00 0.00 H new ATOM 0 HD21 LEU A 6 70.540 3.164 -7.698 1.00 0.00 H new ATOM 0 HD22 LEU A 6 71.638 1.972 -6.964 1.00 0.00 H new ATOM 0 HD23 LEU A 6 70.888 3.230 -5.954 1.00 0.00 H new ATOM 105 N SER A 7 74.926 5.137 -3.750 1.00 0.00 N ATOM 106 CA SER A 7 76.109 5.347 -2.918 1.00 0.00 C ATOM 107 C SER A 7 75.785 5.104 -1.446 1.00 0.00 C ATOM 108 O SER A 7 76.645 4.693 -0.667 1.00 0.00 O ATOM 109 CB SER A 7 76.630 6.776 -3.086 1.00 0.00 C ATOM 110 OG SER A 7 77.604 6.801 -4.121 1.00 0.00 O ATOM 0 H SER A 7 74.631 5.954 -4.284 1.00 0.00 H new ATOM 0 HA SER A 7 76.873 4.639 -3.238 1.00 0.00 H new ATOM 0 HB2 SER A 7 75.808 7.449 -3.328 1.00 0.00 H new ATOM 0 HB3 SER A 7 77.066 7.129 -2.151 1.00 0.00 H new ATOM 0 HG SER A 7 77.939 7.715 -4.233 1.00 0.00 H new ATOM 116 N ASP A 8 74.534 5.363 -1.074 1.00 0.00 N ATOM 117 CA ASP A 8 74.105 5.171 0.304 1.00 0.00 C ATOM 118 C ASP A 8 74.033 3.686 0.640 1.00 0.00 C ATOM 119 O ASP A 8 74.787 3.185 1.471 1.00 0.00 O ATOM 120 CB ASP A 8 72.723 5.790 0.518 1.00 0.00 C ATOM 121 CG ASP A 8 72.822 7.312 0.483 1.00 0.00 C ATOM 122 OD1 ASP A 8 73.855 7.832 0.872 1.00 0.00 O ATOM 123 OD2 ASP A 8 71.858 7.936 0.070 1.00 0.00 O ATOM 0 H ASP A 8 73.807 5.703 -1.703 1.00 0.00 H new ATOM 0 HA ASP A 8 74.833 5.656 0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 8 72.037 5.444 -0.255 1.00 0.00 H new ATOM 0 HB3 ASP A 8 72.314 5.466 1.475 1.00 0.00 H new ATOM 128 N LEU A 9 73.105 2.994 -0.019 1.00 0.00 N ATOM 129 CA LEU A 9 72.906 1.558 0.206 1.00 0.00 C ATOM 130 C LEU A 9 74.215 0.780 0.086 1.00 0.00 C ATOM 131 O LEU A 9 74.405 -0.241 0.745 1.00 0.00 O ATOM 132 CB LEU A 9 71.907 0.999 -0.809 1.00 0.00 C ATOM 133 CG LEU A 9 71.619 -0.499 -0.682 1.00 0.00 C ATOM 134 CD1 LEU A 9 70.519 -0.722 0.358 1.00 0.00 C ATOM 135 CD2 LEU A 9 71.160 -1.045 -2.035 1.00 0.00 C ATOM 0 H LEU A 9 72.478 3.401 -0.713 1.00 0.00 H new ATOM 0 HA LEU A 9 72.522 1.440 1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 9 70.968 1.543 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 9 72.284 1.197 -1.813 1.00 0.00 H new ATOM 0 HG LEU A 9 72.525 -1.018 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 9 70.314 -1.789 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 9 70.846 -0.333 1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 9 69.612 -0.204 0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 9 70.955 -2.112 -1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 9 70.254 -0.526 -2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 9 71.944 -0.887 -2.776 1.00 0.00 H new ATOM 147 N LEU A 10 75.105 1.264 -0.771 1.00 0.00 N ATOM 148 CA LEU A 10 76.387 0.596 -0.983 1.00 0.00 C ATOM 149 C LEU A 10 77.284 0.709 0.249 1.00 0.00 C ATOM 150 O LEU A 10 77.778 -0.293 0.766 1.00 0.00 O ATOM 151 CB LEU A 10 77.098 1.198 -2.194 1.00 0.00 C ATOM 152 CG LEU A 10 76.461 0.858 -3.547 1.00 0.00 C ATOM 153 CD1 LEU A 10 76.776 1.960 -4.571 1.00 0.00 C ATOM 154 CD2 LEU A 10 77.014 -0.483 -4.041 1.00 0.00 C ATOM 0 H LEU A 10 74.967 2.108 -1.327 1.00 0.00 H new ATOM 0 HA LEU A 10 76.187 -0.460 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.123 2.282 -2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.132 0.854 -2.198 1.00 0.00 H new ATOM 0 HG LEU A 10 75.380 0.788 -3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 10 76.319 1.709 -5.528 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.377 2.911 -4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 10 77.856 2.043 -4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 10 76.564 -0.730 -5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 10 78.096 -0.411 -4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.776 -1.263 -3.318 1.00 0.00 H new ATOM 166 N THR A 11 77.489 1.937 0.713 1.00 0.00 N ATOM 167 CA THR A 11 78.319 2.187 1.878 1.00 0.00 C ATOM 168 C THR A 11 77.797 1.425 3.092 1.00 0.00 C ATOM 169 O THR A 11 78.529 0.664 3.724 1.00 0.00 O ATOM 170 CB THR A 11 78.311 3.680 2.181 1.00 0.00 C ATOM 171 OG1 THR A 11 78.627 4.404 1.000 1.00 0.00 O ATOM 172 CG2 THR A 11 79.338 3.978 3.250 1.00 0.00 C ATOM 0 H THR A 11 77.088 2.777 0.295 1.00 0.00 H new ATOM 0 HA THR A 11 79.333 1.847 1.666 1.00 0.00 H new ATOM 0 HB THR A 11 77.323 3.978 2.533 1.00 0.00 H new ATOM 0 HG1 THR A 11 77.809 4.795 0.627 1.00 0.00 H new ATOM 0 HG21 THR A 11 79.335 5.046 3.470 1.00 0.00 H new ATOM 0 HG22 THR A 11 79.094 3.421 4.154 1.00 0.00 H new ATOM 0 HG23 THR A 11 80.326 3.683 2.898 1.00 0.00 H new ATOM 180 N LEU A 12 76.521 1.629 3.418 1.00 0.00 N ATOM 181 CA LEU A 12 75.928 0.935 4.570 1.00 0.00 C ATOM 182 C LEU A 12 76.128 -0.572 4.431 1.00 0.00 C ATOM 183 O LEU A 12 76.352 -1.275 5.416 1.00 0.00 O ATOM 184 CB LEU A 12 74.435 1.250 4.724 1.00 0.00 C ATOM 185 CG LEU A 12 73.609 1.275 3.426 1.00 0.00 C ATOM 186 CD1 LEU A 12 72.764 0.002 3.318 1.00 0.00 C ATOM 187 CD2 LEU A 12 72.678 2.494 3.435 1.00 0.00 C ATOM 0 H LEU A 12 75.888 2.253 2.917 1.00 0.00 H new ATOM 0 HA LEU A 12 76.436 1.293 5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 12 73.996 0.512 5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 12 74.338 2.220 5.211 1.00 0.00 H new ATOM 0 HG LEU A 12 74.288 1.332 2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 12 72.183 0.028 2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 12 73.419 -0.870 3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 12 72.089 -0.060 4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 12 72.093 2.512 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 12 72.006 2.433 4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 12 73.272 3.405 3.505 1.00 0.00 H new ATOM 199 N LEU A 13 76.087 -1.052 3.190 1.00 0.00 N ATOM 200 CA LEU A 13 76.313 -2.466 2.935 1.00 0.00 C ATOM 201 C LEU A 13 77.792 -2.758 3.156 1.00 0.00 C ATOM 202 O LEU A 13 78.168 -3.777 3.735 1.00 0.00 O ATOM 203 CB LEU A 13 75.918 -2.840 1.499 1.00 0.00 C ATOM 204 CG LEU A 13 74.602 -3.611 1.367 1.00 0.00 C ATOM 205 CD1 LEU A 13 74.310 -3.878 -0.111 1.00 0.00 C ATOM 206 CD2 LEU A 13 74.718 -4.946 2.109 1.00 0.00 C ATOM 0 H LEU A 13 75.902 -0.490 2.359 1.00 0.00 H new ATOM 0 HA LEU A 13 75.698 -3.058 3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 13 75.847 -1.926 0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 13 76.717 -3.439 1.063 1.00 0.00 H new ATOM 0 HG LEU A 13 73.792 -3.021 1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 13 73.373 -4.427 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 13 74.229 -2.930 -0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 13 75.120 -4.468 -0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 13 73.782 -5.496 2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 13 75.528 -5.533 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 13 74.926 -4.760 3.163 1.00 0.00 H new ATOM 218 N ARG A 14 78.623 -1.822 2.699 1.00 0.00 N ATOM 219 CA ARG A 14 80.065 -1.940 2.853 1.00 0.00 C ATOM 220 C ARG A 14 80.429 -1.990 4.340 1.00 0.00 C ATOM 221 O ARG A 14 81.244 -2.808 4.768 1.00 0.00 O ATOM 222 CB ARG A 14 80.752 -0.739 2.186 1.00 0.00 C ATOM 223 CG ARG A 14 82.274 -0.802 2.378 1.00 0.00 C ATOM 224 CD ARG A 14 82.803 0.557 2.850 1.00 0.00 C ATOM 225 NE ARG A 14 83.291 0.468 4.230 1.00 0.00 N ATOM 226 CZ ARG A 14 83.490 1.557 4.987 1.00 0.00 C ATOM 227 NH1 ARG A 14 83.261 2.761 4.522 1.00 0.00 N ATOM 228 NH2 ARG A 14 83.920 1.413 6.211 1.00 0.00 N ATOM 0 H ARG A 14 78.318 -0.975 2.220 1.00 0.00 H new ATOM 0 HA ARG A 14 80.404 -2.860 2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 14 80.516 -0.725 1.122 1.00 0.00 H new ATOM 0 HB3 ARG A 14 80.366 0.188 2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 14 82.525 -1.572 3.108 1.00 0.00 H new ATOM 0 HG3 ARG A 14 82.755 -1.083 1.441 1.00 0.00 H new ATOM 0 HD2 ARG A 14 83.608 0.888 2.194 1.00 0.00 H new ATOM 0 HD3 ARG A 14 82.012 1.304 2.785 1.00 0.00 H new ATOM 0 HE ARG A 14 83.485 -0.451 4.627 1.00 0.00 H new ATOM 0 HH11 ARG A 14 82.925 2.883 3.567 1.00 0.00 H new ATOM 0 HH12 ARG A 14 83.419 3.575 5.115 1.00 0.00 H new ATOM 0 HH21 ARG A 14 84.101 0.480 6.582 1.00 0.00 H new ATOM 0 HH22 ARG A 14 84.075 2.233 6.797 1.00 0.00 H new ATOM 242 N GLU A 15 79.812 -1.105 5.119 1.00 0.00 N ATOM 243 CA GLU A 15 80.072 -1.051 6.559 1.00 0.00 C ATOM 244 C GLU A 15 79.685 -2.374 7.197 1.00 0.00 C ATOM 245 O GLU A 15 80.389 -2.906 8.057 1.00 0.00 O ATOM 246 CB GLU A 15 79.255 0.066 7.224 1.00 0.00 C ATOM 247 CG GLU A 15 79.309 1.352 6.384 1.00 0.00 C ATOM 248 CD GLU A 15 79.905 2.491 7.208 1.00 0.00 C ATOM 249 OE1 GLU A 15 80.955 2.286 7.794 1.00 0.00 O ATOM 250 OE2 GLU A 15 79.302 3.551 7.239 1.00 0.00 O ATOM 0 H GLU A 15 79.134 -0.421 4.783 1.00 0.00 H new ATOM 0 HA GLU A 15 81.134 -0.852 6.702 1.00 0.00 H new ATOM 0 HB2 GLU A 15 78.220 -0.254 7.341 1.00 0.00 H new ATOM 0 HB3 GLU A 15 79.643 0.262 8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 15 79.910 1.187 5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 15 78.307 1.620 6.050 1.00 0.00 H new ATOM 257 N CYS A 16 78.548 -2.894 6.755 1.00 0.00 N ATOM 258 CA CYS A 16 78.043 -4.168 7.270 1.00 0.00 C ATOM 259 C CYS A 16 79.047 -5.286 7.015 1.00 0.00 C ATOM 260 O CYS A 16 79.508 -5.954 7.940 1.00 0.00 O ATOM 261 CB CYS A 16 76.720 -4.530 6.597 1.00 0.00 C ATOM 262 SG CYS A 16 75.933 -5.887 7.500 1.00 0.00 S ATOM 0 H CYS A 16 77.958 -2.460 6.045 1.00 0.00 H new ATOM 0 HA CYS A 16 77.889 -4.056 8.343 1.00 0.00 H new ATOM 0 HB2 CYS A 16 76.061 -3.662 6.577 1.00 0.00 H new ATOM 0 HB3 CYS A 16 76.895 -4.822 5.561 1.00 0.00 H new ATOM 0 HG CYS A 16 74.683 -5.973 7.152 1.00 0.00 H new ATOM 268 N ALA A 17 79.380 -5.477 5.743 1.00 0.00 N ATOM 269 CA ALA A 17 80.333 -6.516 5.358 1.00 0.00 C ATOM 270 C ALA A 17 81.690 -6.266 6.011 1.00 0.00 C ATOM 271 O ALA A 17 82.378 -7.198 6.425 1.00 0.00 O ATOM 272 CB ALA A 17 80.508 -6.544 3.840 1.00 0.00 C ATOM 0 H ALA A 17 79.008 -4.932 4.965 1.00 0.00 H new ATOM 0 HA ALA A 17 79.940 -7.475 5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 17 81.221 -7.323 3.570 1.00 0.00 H new ATOM 0 HB2 ALA A 17 79.548 -6.751 3.367 1.00 0.00 H new ATOM 0 HB3 ALA A 17 80.880 -5.578 3.499 1.00 0.00 H new ATOM 278 N GLY A 18 82.064 -4.992 6.099 1.00 0.00 N ATOM 279 CA GLY A 18 83.341 -4.623 6.705 1.00 0.00 C ATOM 280 C GLY A 18 84.403 -4.376 5.637 1.00 0.00 C ATOM 281 O GLY A 18 85.596 -4.573 5.873 1.00 0.00 O ATOM 0 H GLY A 18 81.508 -4.206 5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 18 83.214 -3.726 7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 18 83.672 -5.416 7.375 1.00 0.00 H new ATOM 285 N GLU A 19 83.960 -3.942 4.460 1.00 0.00 N ATOM 286 CA GLU A 19 84.882 -3.670 3.365 1.00 0.00 C ATOM 287 C GLU A 19 85.557 -2.317 3.561 1.00 0.00 C ATOM 288 O GLU A 19 85.319 -1.627 4.553 1.00 0.00 O ATOM 289 CB GLU A 19 84.140 -3.670 2.026 1.00 0.00 C ATOM 290 CG GLU A 19 83.877 -5.112 1.587 1.00 0.00 C ATOM 291 CD GLU A 19 85.191 -5.765 1.174 1.00 0.00 C ATOM 292 OE1 GLU A 19 85.854 -5.221 0.307 1.00 0.00 O ATOM 293 OE2 GLU A 19 85.515 -6.802 1.730 1.00 0.00 O ATOM 0 H GLU A 19 82.978 -3.773 4.243 1.00 0.00 H new ATOM 0 HA GLU A 19 85.638 -4.455 3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 19 83.198 -3.130 2.120 1.00 0.00 H new ATOM 0 HB3 GLU A 19 84.731 -3.151 1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 19 83.420 -5.674 2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 19 83.173 -5.127 0.755 1.00 0.00 H new ATOM 300 N GLU A 20 86.401 -1.945 2.605 1.00 0.00 N ATOM 301 CA GLU A 20 87.109 -0.670 2.681 1.00 0.00 C ATOM 302 C GLU A 20 86.761 0.205 1.481 1.00 0.00 C ATOM 303 O GLU A 20 87.598 0.946 0.966 1.00 0.00 O ATOM 304 CB GLU A 20 88.621 -0.896 2.716 1.00 0.00 C ATOM 305 CG GLU A 20 89.312 0.357 3.256 1.00 0.00 C ATOM 306 CD GLU A 20 90.763 0.379 2.790 1.00 0.00 C ATOM 307 OE1 GLU A 20 90.991 0.162 1.611 1.00 0.00 O ATOM 308 OE2 GLU A 20 91.627 0.615 3.619 1.00 0.00 O ATOM 0 H GLU A 20 86.611 -2.501 1.776 1.00 0.00 H new ATOM 0 HA GLU A 20 86.799 -0.168 3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 20 88.857 -1.754 3.346 1.00 0.00 H new ATOM 0 HB3 GLU A 20 88.989 -1.124 1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 20 88.793 1.250 2.907 1.00 0.00 H new ATOM 0 HG3 GLU A 20 89.269 0.368 4.345 1.00 0.00 H new ATOM 315 N GLU A 21 85.510 0.109 1.047 1.00 0.00 N ATOM 316 CA GLU A 21 85.040 0.888 -0.090 1.00 0.00 C ATOM 317 C GLU A 21 83.561 0.605 -0.345 1.00 0.00 C ATOM 318 O GLU A 21 83.178 -0.523 -0.654 1.00 0.00 O ATOM 319 CB GLU A 21 85.838 0.536 -1.346 1.00 0.00 C ATOM 320 CG GLU A 21 85.456 1.497 -2.469 1.00 0.00 C ATOM 321 CD GLU A 21 86.444 1.356 -3.622 1.00 0.00 C ATOM 322 OE1 GLU A 21 87.619 1.600 -3.403 1.00 0.00 O ATOM 323 OE2 GLU A 21 86.011 1.005 -4.707 1.00 0.00 O ATOM 0 H GLU A 21 84.805 -0.499 1.464 1.00 0.00 H new ATOM 0 HA GLU A 21 85.178 1.944 0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 21 86.907 0.602 -1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 21 85.633 -0.492 -1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 21 84.445 1.284 -2.815 1.00 0.00 H new ATOM 0 HG3 GLU A 21 85.457 2.522 -2.100 1.00 0.00 H new ATOM 330 N SER A 22 82.735 1.652 -0.217 1.00 0.00 N ATOM 331 CA SER A 22 81.281 1.537 -0.432 1.00 0.00 C ATOM 332 C SER A 22 80.958 0.679 -1.656 1.00 0.00 C ATOM 333 O SER A 22 80.027 -0.126 -1.643 1.00 0.00 O ATOM 334 CB SER A 22 80.670 2.924 -0.634 1.00 0.00 C ATOM 335 OG SER A 22 80.978 3.740 0.488 1.00 0.00 O ATOM 0 H SER A 22 83.046 2.590 0.034 1.00 0.00 H new ATOM 0 HA SER A 22 80.859 1.060 0.453 1.00 0.00 H new ATOM 0 HB2 SER A 22 81.060 3.377 -1.546 1.00 0.00 H new ATOM 0 HB3 SER A 22 79.590 2.844 -0.755 1.00 0.00 H new ATOM 0 HG SER A 22 80.189 4.265 0.737 1.00 0.00 H new ATOM 341 N ILE A 23 81.745 0.862 -2.709 1.00 0.00 N ATOM 342 CA ILE A 23 81.545 0.108 -3.939 1.00 0.00 C ATOM 343 C ILE A 23 82.832 -0.630 -4.301 1.00 0.00 C ATOM 344 O ILE A 23 83.583 -0.214 -5.183 1.00 0.00 O ATOM 345 CB ILE A 23 81.126 1.048 -5.085 1.00 0.00 C ATOM 346 CG1 ILE A 23 79.746 1.645 -4.780 1.00 0.00 C ATOM 347 CG2 ILE A 23 81.041 0.270 -6.404 1.00 0.00 C ATOM 348 CD1 ILE A 23 79.845 2.677 -3.652 1.00 0.00 C ATOM 0 H ILE A 23 82.523 1.522 -2.736 1.00 0.00 H new ATOM 0 HA ILE A 23 80.747 -0.618 -3.785 1.00 0.00 H new ATOM 0 HB ILE A 23 81.869 1.840 -5.175 1.00 0.00 H new ATOM 0 HG12 ILE A 23 79.340 2.115 -5.676 1.00 0.00 H new ATOM 0 HG13 ILE A 23 79.055 0.852 -4.495 1.00 0.00 H new ATOM 0 HG21 ILE A 23 80.744 0.945 -7.206 1.00 0.00 H new ATOM 0 HG22 ILE A 23 82.015 -0.162 -6.635 1.00 0.00 H new ATOM 0 HG23 ILE A 23 80.304 -0.527 -6.309 1.00 0.00 H new ATOM 0 HD11 ILE A 23 78.857 3.090 -3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 23 80.229 2.197 -2.752 1.00 0.00 H new ATOM 0 HD13 ILE A 23 80.519 3.479 -3.951 1.00 0.00 H new ATOM 360 N ASP A 24 83.063 -1.732 -3.604 1.00 0.00 N ATOM 361 CA ASP A 24 84.254 -2.543 -3.842 1.00 0.00 C ATOM 362 C ASP A 24 84.084 -3.374 -5.111 1.00 0.00 C ATOM 363 O ASP A 24 85.049 -3.652 -5.822 1.00 0.00 O ATOM 364 CB ASP A 24 84.506 -3.483 -2.661 1.00 0.00 C ATOM 365 CG ASP A 24 85.931 -4.022 -2.735 1.00 0.00 C ATOM 366 OD1 ASP A 24 86.844 -3.218 -2.820 1.00 0.00 O ATOM 367 OD2 ASP A 24 86.087 -5.232 -2.705 1.00 0.00 O ATOM 0 H ASP A 24 82.447 -2.086 -2.872 1.00 0.00 H new ATOM 0 HA ASP A 24 85.104 -1.870 -3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 24 84.355 -2.952 -1.721 1.00 0.00 H new ATOM 0 HB3 ASP A 24 83.793 -4.307 -2.680 1.00 0.00 H new ATOM 372 N LEU A 25 82.840 -3.768 -5.386 1.00 0.00 N ATOM 373 CA LEU A 25 82.542 -4.571 -6.573 1.00 0.00 C ATOM 374 C LEU A 25 83.017 -3.863 -7.841 1.00 0.00 C ATOM 375 O LEU A 25 83.379 -4.505 -8.827 1.00 0.00 O ATOM 376 CB LEU A 25 81.030 -4.835 -6.689 1.00 0.00 C ATOM 377 CG LEU A 25 80.256 -5.121 -5.382 1.00 0.00 C ATOM 378 CD1 LEU A 25 81.155 -5.787 -4.329 1.00 0.00 C ATOM 379 CD2 LEU A 25 79.688 -3.810 -4.822 1.00 0.00 C ATOM 0 H LEU A 25 82.029 -3.547 -4.809 1.00 0.00 H new ATOM 0 HA LEU A 25 83.070 -5.519 -6.467 1.00 0.00 H new ATOM 0 HB2 LEU A 25 80.573 -3.970 -7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 25 80.886 -5.683 -7.358 1.00 0.00 H new ATOM 0 HG LEU A 25 79.443 -5.809 -5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 25 80.578 -5.973 -3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 25 81.534 -6.732 -4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 25 81.992 -5.129 -4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 25 79.143 -4.014 -3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 25 80.505 -3.119 -4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.012 -3.365 -5.552 1.00 0.00 H new ATOM 391 N GLY A 26 83.012 -2.534 -7.804 1.00 0.00 N ATOM 392 CA GLY A 26 83.447 -1.750 -8.956 1.00 0.00 C ATOM 393 C GLY A 26 82.408 -0.696 -9.317 1.00 0.00 C ATOM 394 O GLY A 26 82.697 0.502 -9.333 1.00 0.00 O ATOM 0 H GLY A 26 82.715 -1.982 -6.999 1.00 0.00 H new ATOM 0 HA2 GLY A 26 84.399 -1.268 -8.735 1.00 0.00 H new ATOM 0 HA3 GLY A 26 83.614 -2.409 -9.808 1.00 0.00 H new ATOM 398 N GLY A 27 81.193 -1.153 -9.607 1.00 0.00 N ATOM 399 CA GLY A 27 80.116 -0.239 -9.969 1.00 0.00 C ATOM 400 C GLY A 27 79.007 -0.968 -10.723 1.00 0.00 C ATOM 401 O GLY A 27 77.840 -0.581 -10.663 1.00 0.00 O ATOM 0 H GLY A 27 80.932 -2.139 -9.599 1.00 0.00 H new ATOM 0 HA2 GLY A 27 79.707 0.221 -9.069 1.00 0.00 H new ATOM 0 HA3 GLY A 27 80.511 0.567 -10.587 1.00 0.00 H new ATOM 405 N ASP A 28 79.384 -2.025 -11.439 1.00 0.00 N ATOM 406 CA ASP A 28 78.416 -2.798 -12.205 1.00 0.00 C ATOM 407 C ASP A 28 77.725 -3.828 -11.311 1.00 0.00 C ATOM 408 O ASP A 28 77.788 -5.035 -11.554 1.00 0.00 O ATOM 409 CB ASP A 28 79.108 -3.514 -13.370 1.00 0.00 C ATOM 410 CG ASP A 28 78.085 -3.815 -14.462 1.00 0.00 C ATOM 411 OD1 ASP A 28 77.280 -2.943 -14.747 1.00 0.00 O ATOM 412 OD2 ASP A 28 78.122 -4.911 -14.995 1.00 0.00 O ATOM 0 H ASP A 28 80.345 -2.362 -11.503 1.00 0.00 H new ATOM 0 HA ASP A 28 77.668 -2.111 -12.600 1.00 0.00 H new ATOM 0 HB2 ASP A 28 79.909 -2.892 -13.769 1.00 0.00 H new ATOM 0 HB3 ASP A 28 79.567 -4.439 -13.021 1.00 0.00 H new ATOM 417 N VAL A 29 77.062 -3.335 -10.270 1.00 0.00 N ATOM 418 CA VAL A 29 76.359 -4.214 -9.341 1.00 0.00 C ATOM 419 C VAL A 29 75.077 -3.544 -8.837 1.00 0.00 C ATOM 420 O VAL A 29 74.606 -3.806 -7.730 1.00 0.00 O ATOM 421 CB VAL A 29 77.280 -4.573 -8.161 1.00 0.00 C ATOM 422 CG1 VAL A 29 77.643 -3.310 -7.373 1.00 0.00 C ATOM 423 CG2 VAL A 29 76.583 -5.577 -7.235 1.00 0.00 C ATOM 0 H VAL A 29 76.996 -2.341 -10.049 1.00 0.00 H new ATOM 0 HA VAL A 29 76.083 -5.130 -9.863 1.00 0.00 H new ATOM 0 HB VAL A 29 78.192 -5.023 -8.554 1.00 0.00 H new ATOM 0 HG11 VAL A 29 78.295 -3.575 -6.541 1.00 0.00 H new ATOM 0 HG12 VAL A 29 78.159 -2.608 -8.028 1.00 0.00 H new ATOM 0 HG13 VAL A 29 76.734 -2.847 -6.989 1.00 0.00 H new ATOM 0 HG21 VAL A 29 77.243 -5.824 -6.404 1.00 0.00 H new ATOM 0 HG22 VAL A 29 75.663 -5.138 -6.849 1.00 0.00 H new ATOM 0 HG23 VAL A 29 76.347 -6.483 -7.793 1.00 0.00 H new ATOM 433 N GLU A 30 74.510 -2.676 -9.671 1.00 0.00 N ATOM 434 CA GLU A 30 73.284 -1.982 -9.313 1.00 0.00 C ATOM 435 C GLU A 30 72.060 -2.821 -9.689 1.00 0.00 C ATOM 436 O GLU A 30 70.994 -2.698 -9.086 1.00 0.00 O ATOM 437 CB GLU A 30 73.222 -0.629 -10.029 1.00 0.00 C ATOM 438 CG GLU A 30 73.173 -0.833 -11.550 1.00 0.00 C ATOM 439 CD GLU A 30 74.071 0.191 -12.239 1.00 0.00 C ATOM 440 OE1 GLU A 30 75.265 0.163 -11.993 1.00 0.00 O ATOM 441 OE2 GLU A 30 73.550 0.988 -13.001 1.00 0.00 O ATOM 0 H GLU A 30 74.879 -2.440 -10.592 1.00 0.00 H new ATOM 0 HA GLU A 30 73.280 -1.822 -8.235 1.00 0.00 H new ATOM 0 HB2 GLU A 30 72.342 -0.076 -9.701 1.00 0.00 H new ATOM 0 HB3 GLU A 30 74.092 -0.029 -9.764 1.00 0.00 H new ATOM 0 HG2 GLU A 30 73.498 -1.843 -11.801 1.00 0.00 H new ATOM 0 HG3 GLU A 30 72.148 -0.730 -11.907 1.00 0.00 H new ATOM 448 N ASP A 31 72.231 -3.676 -10.697 1.00 0.00 N ATOM 449 CA ASP A 31 71.145 -4.534 -11.153 1.00 0.00 C ATOM 450 C ASP A 31 71.538 -6.006 -11.035 1.00 0.00 C ATOM 451 O ASP A 31 71.022 -6.861 -11.756 1.00 0.00 O ATOM 452 CB ASP A 31 70.794 -4.221 -12.609 1.00 0.00 C ATOM 453 CG ASP A 31 69.910 -2.979 -12.663 1.00 0.00 C ATOM 454 OD1 ASP A 31 68.754 -3.083 -12.289 1.00 0.00 O ATOM 455 OD2 ASP A 31 70.403 -1.943 -13.078 1.00 0.00 O ATOM 0 H ASP A 31 73.106 -3.791 -11.208 1.00 0.00 H new ATOM 0 HA ASP A 31 70.277 -4.343 -10.522 1.00 0.00 H new ATOM 0 HB2 ASP A 31 71.704 -4.058 -13.187 1.00 0.00 H new ATOM 0 HB3 ASP A 31 70.277 -5.068 -13.060 1.00 0.00 H new ATOM 460 N VAL A 32 72.443 -6.295 -10.100 1.00 0.00 N ATOM 461 CA VAL A 32 72.885 -7.665 -9.872 1.00 0.00 C ATOM 462 C VAL A 32 72.387 -8.134 -8.509 1.00 0.00 C ATOM 463 O VAL A 32 72.499 -7.418 -7.514 1.00 0.00 O ATOM 464 CB VAL A 32 74.413 -7.753 -9.916 1.00 0.00 C ATOM 465 CG1 VAL A 32 74.847 -9.216 -9.814 1.00 0.00 C ATOM 466 CG2 VAL A 32 74.916 -7.166 -11.237 1.00 0.00 C ATOM 0 H VAL A 32 72.880 -5.602 -9.493 1.00 0.00 H new ATOM 0 HA VAL A 32 72.477 -8.302 -10.657 1.00 0.00 H new ATOM 0 HB VAL A 32 74.832 -7.192 -9.081 1.00 0.00 H new ATOM 0 HG11 VAL A 32 75.935 -9.276 -9.846 1.00 0.00 H new ATOM 0 HG12 VAL A 32 74.487 -9.638 -8.875 1.00 0.00 H new ATOM 0 HG13 VAL A 32 74.428 -9.779 -10.648 1.00 0.00 H new ATOM 0 HG21 VAL A 32 76.004 -7.227 -11.272 1.00 0.00 H new ATOM 0 HG22 VAL A 32 74.494 -7.729 -12.069 1.00 0.00 H new ATOM 0 HG23 VAL A 32 74.609 -6.123 -11.312 1.00 0.00 H new ATOM 476 N ALA A 33 71.819 -9.338 -8.472 1.00 0.00 N ATOM 477 CA ALA A 33 71.285 -9.884 -7.221 1.00 0.00 C ATOM 478 C ALA A 33 72.339 -9.880 -6.116 1.00 0.00 C ATOM 479 O ALA A 33 73.536 -10.021 -6.371 1.00 0.00 O ATOM 480 CB ALA A 33 70.792 -11.317 -7.424 1.00 0.00 C ATOM 0 H ALA A 33 71.716 -9.949 -9.282 1.00 0.00 H new ATOM 0 HA ALA A 33 70.453 -9.246 -6.923 1.00 0.00 H new ATOM 0 HB1 ALA A 33 70.400 -11.703 -6.483 1.00 0.00 H new ATOM 0 HB2 ALA A 33 70.004 -11.327 -8.177 1.00 0.00 H new ATOM 0 HB3 ALA A 33 71.620 -11.943 -7.756 1.00 0.00 H new ATOM 486 N PHE A 34 71.870 -9.716 -4.879 1.00 0.00 N ATOM 487 CA PHE A 34 72.763 -9.691 -3.717 1.00 0.00 C ATOM 488 C PHE A 34 73.638 -10.942 -3.673 1.00 0.00 C ATOM 489 O PHE A 34 74.826 -10.878 -3.361 1.00 0.00 O ATOM 490 CB PHE A 34 71.949 -9.618 -2.428 1.00 0.00 C ATOM 491 CG PHE A 34 71.221 -8.296 -2.365 1.00 0.00 C ATOM 492 CD1 PHE A 34 71.949 -7.100 -2.312 1.00 0.00 C ATOM 493 CD2 PHE A 34 69.823 -8.264 -2.358 1.00 0.00 C ATOM 494 CE1 PHE A 34 71.278 -5.874 -2.252 1.00 0.00 C ATOM 495 CE2 PHE A 34 69.151 -7.036 -2.299 1.00 0.00 C ATOM 496 CZ PHE A 34 69.879 -5.841 -2.245 1.00 0.00 C ATOM 0 H PHE A 34 70.882 -9.599 -4.655 1.00 0.00 H new ATOM 0 HA PHE A 34 73.399 -8.811 -3.807 1.00 0.00 H new ATOM 0 HB2 PHE A 34 71.235 -10.441 -2.389 1.00 0.00 H new ATOM 0 HB3 PHE A 34 72.605 -9.725 -1.564 1.00 0.00 H new ATOM 0 HD1 PHE A 34 73.029 -7.125 -2.317 1.00 0.00 H new ATOM 0 HD2 PHE A 34 69.261 -9.186 -2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 34 71.840 -4.953 -2.211 1.00 0.00 H new ATOM 0 HE2 PHE A 34 68.071 -7.011 -2.295 1.00 0.00 H new ATOM 0 HZ PHE A 34 69.361 -4.894 -2.198 1.00 0.00 H new ATOM 506 N ASP A 35 73.038 -12.081 -3.995 1.00 0.00 N ATOM 507 CA ASP A 35 73.772 -13.339 -3.998 1.00 0.00 C ATOM 508 C ASP A 35 74.728 -13.407 -5.190 1.00 0.00 C ATOM 509 O ASP A 35 75.708 -14.151 -5.172 1.00 0.00 O ATOM 510 CB ASP A 35 72.804 -14.522 -4.070 1.00 0.00 C ATOM 511 CG ASP A 35 73.568 -15.820 -3.835 1.00 0.00 C ATOM 512 OD1 ASP A 35 73.756 -16.174 -2.682 1.00 0.00 O ATOM 513 OD2 ASP A 35 73.955 -16.442 -4.811 1.00 0.00 O ATOM 0 H ASP A 35 72.055 -12.160 -4.255 1.00 0.00 H new ATOM 0 HA ASP A 35 74.346 -13.391 -3.073 1.00 0.00 H new ATOM 0 HB2 ASP A 35 72.019 -14.409 -3.322 1.00 0.00 H new ATOM 0 HB3 ASP A 35 72.315 -14.547 -5.044 1.00 0.00 H new ATOM 518 N ALA A 36 74.427 -12.632 -6.233 1.00 0.00 N ATOM 519 CA ALA A 36 75.257 -12.623 -7.430 1.00 0.00 C ATOM 520 C ALA A 36 76.521 -11.787 -7.234 1.00 0.00 C ATOM 521 O ALA A 36 77.520 -11.994 -7.924 1.00 0.00 O ATOM 522 CB ALA A 36 74.472 -12.059 -8.616 1.00 0.00 C ATOM 0 H ALA A 36 73.621 -12.008 -6.270 1.00 0.00 H new ATOM 0 HA ALA A 36 75.547 -13.655 -7.628 1.00 0.00 H new ATOM 0 HB1 ALA A 36 75.105 -12.058 -9.504 1.00 0.00 H new ATOM 0 HB2 ALA A 36 73.593 -12.677 -8.797 1.00 0.00 H new ATOM 0 HB3 ALA A 36 74.159 -11.039 -8.393 1.00 0.00 H new ATOM 528 N LEU A 37 76.479 -10.835 -6.300 1.00 0.00 N ATOM 529 CA LEU A 37 77.646 -9.988 -6.061 1.00 0.00 C ATOM 530 C LEU A 37 78.481 -10.521 -4.898 1.00 0.00 C ATOM 531 O LEU A 37 79.692 -10.304 -4.843 1.00 0.00 O ATOM 532 CB LEU A 37 77.226 -8.541 -5.779 1.00 0.00 C ATOM 533 CG LEU A 37 76.559 -8.295 -4.423 1.00 0.00 C ATOM 534 CD1 LEU A 37 77.633 -7.989 -3.370 1.00 0.00 C ATOM 535 CD2 LEU A 37 75.592 -7.110 -4.539 1.00 0.00 C ATOM 0 H LEU A 37 75.671 -10.635 -5.711 1.00 0.00 H new ATOM 0 HA LEU A 37 78.254 -10.006 -6.965 1.00 0.00 H new ATOM 0 HB2 LEU A 37 78.109 -7.906 -5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 37 76.540 -8.222 -6.564 1.00 0.00 H new ATOM 0 HG LEU A 37 76.006 -9.184 -4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 37 77.157 -7.814 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 37 78.315 -8.835 -3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 37 78.190 -7.100 -3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 37 75.116 -6.933 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 37 76.143 -6.219 -4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 37 74.829 -7.335 -5.284 1.00 0.00 H new ATOM 547 N GLY A 38 77.835 -11.231 -3.974 1.00 0.00 N ATOM 548 CA GLY A 38 78.559 -11.793 -2.835 1.00 0.00 C ATOM 549 C GLY A 38 77.795 -11.649 -1.516 1.00 0.00 C ATOM 550 O GLY A 38 78.230 -12.172 -0.489 1.00 0.00 O ATOM 0 H GLY A 38 76.834 -11.428 -3.989 1.00 0.00 H new ATOM 0 HA2 GLY A 38 78.757 -12.849 -3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 38 79.526 -11.298 -2.745 1.00 0.00 H new ATOM 554 N TYR A 39 76.660 -10.943 -1.531 1.00 0.00 N ATOM 555 CA TYR A 39 75.887 -10.768 -0.307 1.00 0.00 C ATOM 556 C TYR A 39 75.013 -11.991 -0.056 1.00 0.00 C ATOM 557 O TYR A 39 74.536 -12.633 -0.992 1.00 0.00 O ATOM 558 CB TYR A 39 75.001 -9.526 -0.410 1.00 0.00 C ATOM 559 CG TYR A 39 75.841 -8.275 -0.284 1.00 0.00 C ATOM 560 CD1 TYR A 39 76.766 -8.141 0.760 1.00 0.00 C ATOM 561 CD2 TYR A 39 75.688 -7.244 -1.217 1.00 0.00 C ATOM 562 CE1 TYR A 39 77.538 -6.979 0.867 1.00 0.00 C ATOM 563 CE2 TYR A 39 76.458 -6.082 -1.109 1.00 0.00 C ATOM 564 CZ TYR A 39 77.383 -5.949 -0.067 1.00 0.00 C ATOM 565 OH TYR A 39 78.145 -4.803 0.037 1.00 0.00 O ATOM 0 H TYR A 39 76.267 -10.495 -2.358 1.00 0.00 H new ATOM 0 HA TYR A 39 76.583 -10.645 0.523 1.00 0.00 H new ATOM 0 HB2 TYR A 39 74.474 -9.524 -1.364 1.00 0.00 H new ATOM 0 HB3 TYR A 39 74.243 -9.545 0.373 1.00 0.00 H new ATOM 0 HD1 TYR A 39 76.883 -8.935 1.483 1.00 0.00 H new ATOM 0 HD2 TYR A 39 74.975 -7.346 -2.021 1.00 0.00 H new ATOM 0 HE1 TYR A 39 78.253 -6.877 1.670 1.00 0.00 H new ATOM 0 HE2 TYR A 39 76.339 -5.287 -1.830 1.00 0.00 H new ATOM 0 HH TYR A 39 77.914 -4.189 -0.691 1.00 0.00 H new ATOM 575 N ASP A 40 74.809 -12.312 1.220 1.00 0.00 N ATOM 576 CA ASP A 40 73.990 -13.466 1.577 1.00 0.00 C ATOM 577 C ASP A 40 72.582 -13.020 1.948 1.00 0.00 C ATOM 578 O ASP A 40 71.631 -13.211 1.189 1.00 0.00 O ATOM 579 CB ASP A 40 74.611 -14.221 2.756 1.00 0.00 C ATOM 580 CG ASP A 40 75.683 -15.175 2.242 1.00 0.00 C ATOM 581 OD1 ASP A 40 76.644 -14.699 1.660 1.00 0.00 O ATOM 582 OD2 ASP A 40 75.528 -16.370 2.438 1.00 0.00 O ATOM 0 H ASP A 40 75.193 -11.798 2.012 1.00 0.00 H new ATOM 0 HA ASP A 40 73.943 -14.129 0.713 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.046 -13.516 3.464 1.00 0.00 H new ATOM 0 HB3 ASP A 40 73.841 -14.777 3.292 1.00 0.00 H new ATOM 587 N SER A 41 72.465 -12.421 3.126 1.00 0.00 N ATOM 588 CA SER A 41 71.179 -11.938 3.616 1.00 0.00 C ATOM 589 C SER A 41 71.354 -11.379 5.019 1.00 0.00 C ATOM 590 O SER A 41 70.789 -10.345 5.371 1.00 0.00 O ATOM 591 CB SER A 41 70.143 -13.067 3.654 1.00 0.00 C ATOM 592 OG SER A 41 68.872 -12.550 3.283 1.00 0.00 O ATOM 0 H SER A 41 73.246 -12.257 3.761 1.00 0.00 H new ATOM 0 HA SER A 41 70.823 -11.162 2.938 1.00 0.00 H new ATOM 0 HB2 SER A 41 70.435 -13.868 2.974 1.00 0.00 H new ATOM 0 HB3 SER A 41 70.095 -13.499 4.654 1.00 0.00 H new ATOM 0 HG SER A 41 68.207 -13.270 3.304 1.00 0.00 H new ATOM 598 N LEU A 42 72.162 -12.079 5.814 1.00 0.00 N ATOM 599 CA LEU A 42 72.428 -11.657 7.191 1.00 0.00 C ATOM 600 C LEU A 42 72.961 -10.227 7.221 1.00 0.00 C ATOM 601 O LEU A 42 72.542 -9.409 8.041 1.00 0.00 O ATOM 602 CB LEU A 42 73.453 -12.583 7.848 1.00 0.00 C ATOM 603 CG LEU A 42 74.795 -12.694 7.116 1.00 0.00 C ATOM 604 CD1 LEU A 42 75.769 -11.650 7.668 1.00 0.00 C ATOM 605 CD2 LEU A 42 75.377 -14.094 7.325 1.00 0.00 C ATOM 0 H LEU A 42 72.641 -12.934 5.533 1.00 0.00 H new ATOM 0 HA LEU A 42 71.489 -11.706 7.742 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.639 -12.231 8.863 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.019 -13.579 7.930 1.00 0.00 H new ATOM 0 HG LEU A 42 74.641 -12.519 6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 42 76.723 -11.730 7.146 1.00 0.00 H new ATOM 0 HD12 LEU A 42 75.356 -10.652 7.518 1.00 0.00 H new ATOM 0 HD13 LEU A 42 75.922 -11.823 8.733 1.00 0.00 H new ATOM 0 HD21 LEU A 42 76.331 -14.173 6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 42 75.529 -14.270 8.390 1.00 0.00 H new ATOM 0 HD23 LEU A 42 74.686 -14.838 6.930 1.00 0.00 H new ATOM 617 N ALA A 43 73.880 -9.932 6.308 1.00 0.00 N ATOM 618 CA ALA A 43 74.452 -8.594 6.231 1.00 0.00 C ATOM 619 C ALA A 43 73.396 -7.611 5.761 1.00 0.00 C ATOM 620 O ALA A 43 73.294 -6.501 6.274 1.00 0.00 O ATOM 621 CB ALA A 43 75.634 -8.567 5.262 1.00 0.00 C ATOM 0 H ALA A 43 74.241 -10.592 5.619 1.00 0.00 H new ATOM 0 HA ALA A 43 74.803 -8.312 7.224 1.00 0.00 H new ATOM 0 HB1 ALA A 43 76.046 -7.559 5.219 1.00 0.00 H new ATOM 0 HB2 ALA A 43 76.402 -9.259 5.606 1.00 0.00 H new ATOM 0 HB3 ALA A 43 75.297 -8.864 4.269 1.00 0.00 H new ATOM 627 N LEU A 44 72.601 -8.043 4.787 1.00 0.00 N ATOM 628 CA LEU A 44 71.539 -7.199 4.252 1.00 0.00 C ATOM 629 C LEU A 44 70.517 -6.906 5.340 1.00 0.00 C ATOM 630 O LEU A 44 70.041 -5.782 5.487 1.00 0.00 O ATOM 631 CB LEU A 44 70.857 -7.893 3.077 1.00 0.00 C ATOM 632 CG LEU A 44 71.500 -7.605 1.725 1.00 0.00 C ATOM 633 CD1 LEU A 44 70.997 -8.603 0.683 1.00 0.00 C ATOM 634 CD2 LEU A 44 71.136 -6.185 1.297 1.00 0.00 C ATOM 0 H LEU A 44 72.671 -8.965 4.355 1.00 0.00 H new ATOM 0 HA LEU A 44 71.974 -6.262 3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 44 70.866 -8.969 3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 44 69.812 -7.584 3.043 1.00 0.00 H new ATOM 0 HG LEU A 44 72.583 -7.701 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 44 71.462 -8.389 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 44 71.255 -9.615 0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 44 69.914 -8.517 0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 44 71.591 -5.968 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 44 70.053 -6.096 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 44 71.504 -5.476 2.038 1.00 0.00 H new ATOM 646 N LEU A 45 70.206 -7.940 6.114 1.00 0.00 N ATOM 647 CA LEU A 45 69.253 -7.813 7.218 1.00 0.00 C ATOM 648 C LEU A 45 69.685 -6.686 8.158 1.00 0.00 C ATOM 649 O LEU A 45 68.869 -5.883 8.611 1.00 0.00 O ATOM 650 CB LEU A 45 69.170 -9.137 7.995 1.00 0.00 C ATOM 651 CG LEU A 45 68.459 -9.080 9.354 1.00 0.00 C ATOM 652 CD1 LEU A 45 67.092 -8.410 9.195 1.00 0.00 C ATOM 653 CD2 LEU A 45 68.268 -10.502 9.887 1.00 0.00 C ATOM 0 H LEU A 45 70.597 -8.875 6.000 1.00 0.00 H new ATOM 0 HA LEU A 45 68.270 -7.577 6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 45 68.658 -9.869 7.371 1.00 0.00 H new ATOM 0 HB3 LEU A 45 70.183 -9.506 8.153 1.00 0.00 H new ATOM 0 HG LEU A 45 69.064 -8.503 10.054 1.00 0.00 H new ATOM 0 HD11 LEU A 45 66.591 -8.372 10.162 1.00 0.00 H new ATOM 0 HD12 LEU A 45 67.225 -7.397 8.815 1.00 0.00 H new ATOM 0 HD13 LEU A 45 66.485 -8.983 8.494 1.00 0.00 H new ATOM 0 HD21 LEU A 45 67.763 -10.464 10.852 1.00 0.00 H new ATOM 0 HD22 LEU A 45 67.664 -11.076 9.184 1.00 0.00 H new ATOM 0 HD23 LEU A 45 69.240 -10.980 10.005 1.00 0.00 H new ATOM 665 N ASN A 46 70.984 -6.638 8.435 1.00 0.00 N ATOM 666 CA ASN A 46 71.527 -5.608 9.309 1.00 0.00 C ATOM 667 C ASN A 46 71.463 -4.247 8.624 1.00 0.00 C ATOM 668 O ASN A 46 71.000 -3.266 9.204 1.00 0.00 O ATOM 669 CB ASN A 46 72.981 -5.915 9.669 1.00 0.00 C ATOM 670 CG ASN A 46 73.051 -7.238 10.421 1.00 0.00 C ATOM 671 OD1 ASN A 46 73.806 -8.194 9.958 1.00 0.00 O flip ATOM 672 ND2 ASN A 46 72.404 -7.407 11.454 1.00 0.00 N flip ATOM 0 H ASN A 46 71.674 -7.295 8.070 1.00 0.00 H new ATOM 0 HA ASN A 46 70.928 -5.590 10.219 1.00 0.00 H new ATOM 0 HB2 ASN A 46 73.587 -5.966 8.765 1.00 0.00 H new ATOM 0 HB3 ASN A 46 73.392 -5.113 10.283 1.00 0.00 H new ATOM 0 HD21 ASN A 46 71.814 -6.657 11.814 1.00 0.00 H new ATOM 0 HD22 ASN A 46 72.458 -8.297 11.950 1.00 0.00 H new ATOM 679 N THR A 47 71.938 -4.200 7.380 1.00 0.00 N ATOM 680 CA THR A 47 71.932 -2.944 6.620 1.00 0.00 C ATOM 681 C THR A 47 70.512 -2.394 6.496 1.00 0.00 C ATOM 682 O THR A 47 70.263 -1.216 6.753 1.00 0.00 O ATOM 683 CB THR A 47 72.522 -3.138 5.206 1.00 0.00 C ATOM 684 OG1 THR A 47 72.775 -4.513 4.971 1.00 0.00 O ATOM 685 CG2 THR A 47 73.826 -2.350 5.077 1.00 0.00 C ATOM 0 H THR A 47 72.326 -5.000 6.881 1.00 0.00 H new ATOM 0 HA THR A 47 72.553 -2.234 7.167 1.00 0.00 H new ATOM 0 HB THR A 47 71.804 -2.774 4.470 1.00 0.00 H new ATOM 0 HG1 THR A 47 73.488 -4.821 5.568 1.00 0.00 H new ATOM 0 HG21 THR A 47 74.238 -2.490 4.078 1.00 0.00 H new ATOM 0 HG22 THR A 47 73.629 -1.291 5.243 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.541 -2.707 5.818 1.00 0.00 H new ATOM 693 N VAL A 48 69.586 -3.261 6.097 1.00 0.00 N ATOM 694 CA VAL A 48 68.190 -2.854 5.937 1.00 0.00 C ATOM 695 C VAL A 48 67.636 -2.318 7.256 1.00 0.00 C ATOM 696 O VAL A 48 66.802 -1.414 7.272 1.00 0.00 O ATOM 697 CB VAL A 48 67.334 -4.039 5.469 1.00 0.00 C ATOM 698 CG1 VAL A 48 65.901 -3.569 5.196 1.00 0.00 C ATOM 699 CG2 VAL A 48 67.930 -4.621 4.183 1.00 0.00 C ATOM 0 H VAL A 48 69.772 -4.240 5.880 1.00 0.00 H new ATOM 0 HA VAL A 48 68.152 -2.066 5.185 1.00 0.00 H new ATOM 0 HB VAL A 48 67.321 -4.802 6.247 1.00 0.00 H new ATOM 0 HG11 VAL A 48 65.298 -4.414 4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 48 65.474 -3.155 6.109 1.00 0.00 H new ATOM 0 HG13 VAL A 48 65.911 -2.803 4.420 1.00 0.00 H new ATOM 0 HG21 VAL A 48 67.323 -5.463 3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 48 67.944 -3.854 3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 48 68.948 -4.961 4.375 1.00 0.00 H new ATOM 709 N GLY A 49 68.115 -2.883 8.361 1.00 0.00 N ATOM 710 CA GLY A 49 67.666 -2.452 9.682 1.00 0.00 C ATOM 711 C GLY A 49 68.070 -1.003 9.944 1.00 0.00 C ATOM 712 O GLY A 49 67.283 -0.200 10.448 1.00 0.00 O ATOM 0 H GLY A 49 68.807 -3.633 8.369 1.00 0.00 H new ATOM 0 HA2 GLY A 49 66.583 -2.551 9.754 1.00 0.00 H new ATOM 0 HA3 GLY A 49 68.097 -3.099 10.447 1.00 0.00 H new ATOM 716 N ARG A 50 69.312 -0.680 9.597 1.00 0.00 N ATOM 717 CA ARG A 50 69.818 0.672 9.802 1.00 0.00 C ATOM 718 C ARG A 50 69.083 1.663 8.907 1.00 0.00 C ATOM 719 O ARG A 50 68.854 2.808 9.290 1.00 0.00 O ATOM 720 CB ARG A 50 71.315 0.738 9.496 1.00 0.00 C ATOM 721 CG ARG A 50 71.908 2.004 10.117 1.00 0.00 C ATOM 722 CD ARG A 50 73.342 1.728 10.570 1.00 0.00 C ATOM 723 NE ARG A 50 74.061 2.982 10.802 1.00 0.00 N ATOM 724 CZ ARG A 50 75.388 3.018 10.996 1.00 0.00 C ATOM 725 NH1 ARG A 50 76.106 1.921 10.991 1.00 0.00 N ATOM 726 NH2 ARG A 50 75.975 4.167 11.195 1.00 0.00 N ATOM 0 H ARG A 50 69.979 -1.327 9.178 1.00 0.00 H new ATOM 0 HA ARG A 50 69.650 0.935 10.846 1.00 0.00 H new ATOM 0 HB2 ARG A 50 71.817 -0.144 9.893 1.00 0.00 H new ATOM 0 HB3 ARG A 50 71.477 0.739 8.418 1.00 0.00 H new ATOM 0 HG2 ARG A 50 71.895 2.818 9.392 1.00 0.00 H new ATOM 0 HG3 ARG A 50 71.303 2.323 10.965 1.00 0.00 H new ATOM 0 HD2 ARG A 50 73.332 1.134 11.484 1.00 0.00 H new ATOM 0 HD3 ARG A 50 73.861 1.140 9.813 1.00 0.00 H new ATOM 0 HE ARG A 50 73.536 3.856 10.817 1.00 0.00 H new ATOM 0 HH11 ARG A 50 75.657 1.018 10.838 1.00 0.00 H new ATOM 0 HH12 ARG A 50 77.114 1.970 11.140 1.00 0.00 H new ATOM 0 HH21 ARG A 50 75.425 5.026 11.202 1.00 0.00 H new ATOM 0 HH22 ARG A 50 76.983 4.206 11.344 1.00 0.00 H new ATOM 740 N ILE A 51 68.720 1.215 7.709 1.00 0.00 N ATOM 741 CA ILE A 51 68.013 2.082 6.770 1.00 0.00 C ATOM 742 C ILE A 51 66.599 2.369 7.268 1.00 0.00 C ATOM 743 O ILE A 51 66.158 3.516 7.289 1.00 0.00 O ATOM 744 CB ILE A 51 67.940 1.436 5.382 1.00 0.00 C ATOM 745 CG1 ILE A 51 69.353 1.068 4.914 1.00 0.00 C ATOM 746 CG2 ILE A 51 67.320 2.421 4.385 1.00 0.00 C ATOM 747 CD1 ILE A 51 69.298 -0.174 4.019 1.00 0.00 C ATOM 0 H ILE A 51 68.900 0.271 7.368 1.00 0.00 H new ATOM 0 HA ILE A 51 68.567 3.018 6.698 1.00 0.00 H new ATOM 0 HB ILE A 51 67.325 0.538 5.437 1.00 0.00 H new ATOM 0 HG12 ILE A 51 69.793 1.902 4.367 1.00 0.00 H new ATOM 0 HG13 ILE A 51 69.993 0.878 5.776 1.00 0.00 H new ATOM 0 HG21 ILE A 51 67.270 1.958 3.399 1.00 0.00 H new ATOM 0 HG22 ILE A 51 66.315 2.686 4.713 1.00 0.00 H new ATOM 0 HG23 ILE A 51 67.934 3.320 4.333 1.00 0.00 H new ATOM 0 HD11 ILE A 51 70.305 -0.430 3.690 1.00 0.00 H new ATOM 0 HD12 ILE A 51 68.876 -1.008 4.580 1.00 0.00 H new ATOM 0 HD13 ILE A 51 68.673 0.031 3.150 1.00 0.00 H new ATOM 759 N GLU A 52 65.889 1.318 7.667 1.00 0.00 N ATOM 760 CA GLU A 52 64.522 1.489 8.155 1.00 0.00 C ATOM 761 C GLU A 52 64.492 2.387 9.392 1.00 0.00 C ATOM 762 O GLU A 52 63.483 3.027 9.679 1.00 0.00 O ATOM 763 CB GLU A 52 63.887 0.136 8.496 1.00 0.00 C ATOM 764 CG GLU A 52 64.723 -0.581 9.555 1.00 0.00 C ATOM 765 CD GLU A 52 63.946 -1.777 10.095 1.00 0.00 C ATOM 766 OE1 GLU A 52 63.341 -2.474 9.297 1.00 0.00 O ATOM 767 OE2 GLU A 52 63.966 -1.978 11.298 1.00 0.00 O ATOM 0 H GLU A 52 66.228 0.356 7.664 1.00 0.00 H new ATOM 0 HA GLU A 52 63.948 1.961 7.357 1.00 0.00 H new ATOM 0 HB2 GLU A 52 62.871 0.284 8.862 1.00 0.00 H new ATOM 0 HB3 GLU A 52 63.817 -0.479 7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 52 65.668 -0.913 9.124 1.00 0.00 H new ATOM 0 HG3 GLU A 52 64.966 0.105 10.367 1.00 0.00 H new ATOM 774 N ARG A 53 65.605 2.429 10.125 1.00 0.00 N ATOM 775 CA ARG A 53 65.668 3.258 11.325 1.00 0.00 C ATOM 776 C ARG A 53 66.254 4.632 11.008 1.00 0.00 C ATOM 777 O ARG A 53 65.809 5.649 11.540 1.00 0.00 O ATOM 778 CB ARG A 53 66.528 2.584 12.397 1.00 0.00 C ATOM 779 CG ARG A 53 66.171 3.152 13.774 1.00 0.00 C ATOM 780 CD ARG A 53 66.239 2.039 14.822 1.00 0.00 C ATOM 781 NE ARG A 53 66.722 2.563 16.102 1.00 0.00 N ATOM 782 CZ ARG A 53 68.020 2.814 16.326 1.00 0.00 C ATOM 783 NH1 ARG A 53 68.924 2.601 15.399 1.00 0.00 N ATOM 784 NH2 ARG A 53 68.391 3.277 17.488 1.00 0.00 N ATOM 0 H ARG A 53 66.457 1.910 9.914 1.00 0.00 H new ATOM 0 HA ARG A 53 64.650 3.380 11.696 1.00 0.00 H new ATOM 0 HB2 ARG A 53 66.365 1.506 12.384 1.00 0.00 H new ATOM 0 HB3 ARG A 53 67.585 2.749 12.187 1.00 0.00 H new ATOM 0 HG2 ARG A 53 66.859 3.955 14.037 1.00 0.00 H new ATOM 0 HG3 ARG A 53 65.171 3.584 13.752 1.00 0.00 H new ATOM 0 HD2 ARG A 53 65.252 1.596 14.954 1.00 0.00 H new ATOM 0 HD3 ARG A 53 66.901 1.246 14.475 1.00 0.00 H new ATOM 0 HE ARG A 53 66.049 2.743 16.847 1.00 0.00 H new ATOM 0 HH11 ARG A 53 68.644 2.238 14.488 1.00 0.00 H new ATOM 0 HH12 ARG A 53 69.906 2.799 15.590 1.00 0.00 H new ATOM 0 HH21 ARG A 53 67.696 3.445 18.216 1.00 0.00 H new ATOM 0 HH22 ARG A 53 69.376 3.471 17.669 1.00 0.00 H new ATOM 798 N ASP A 54 67.258 4.649 10.139 1.00 0.00 N ATOM 799 CA ASP A 54 67.903 5.898 9.759 1.00 0.00 C ATOM 800 C ASP A 54 67.004 6.711 8.832 1.00 0.00 C ATOM 801 O ASP A 54 66.917 7.933 8.944 1.00 0.00 O ATOM 802 CB ASP A 54 69.226 5.616 9.046 1.00 0.00 C ATOM 803 CG ASP A 54 70.281 5.212 10.069 1.00 0.00 C ATOM 804 OD1 ASP A 54 69.962 4.418 10.938 1.00 0.00 O ATOM 805 OD2 ASP A 54 71.394 5.703 9.967 1.00 0.00 O ATOM 0 H ASP A 54 67.640 3.818 9.688 1.00 0.00 H new ATOM 0 HA ASP A 54 68.090 6.468 10.669 1.00 0.00 H new ATOM 0 HB2 ASP A 54 69.093 4.821 8.312 1.00 0.00 H new ATOM 0 HB3 ASP A 54 69.553 6.502 8.501 1.00 0.00 H new ATOM 810 N TYR A 55 66.341 6.016 7.914 1.00 0.00 N ATOM 811 CA TYR A 55 65.451 6.680 6.966 1.00 0.00 C ATOM 812 C TYR A 55 64.013 6.683 7.479 1.00 0.00 C ATOM 813 O TYR A 55 63.218 7.552 7.122 1.00 0.00 O ATOM 814 CB TYR A 55 65.499 5.978 5.605 1.00 0.00 C ATOM 815 CG TYR A 55 66.835 6.241 4.953 1.00 0.00 C ATOM 816 CD1 TYR A 55 67.975 5.557 5.392 1.00 0.00 C ATOM 817 CD2 TYR A 55 66.935 7.169 3.909 1.00 0.00 C ATOM 818 CE1 TYR A 55 69.214 5.801 4.789 1.00 0.00 C ATOM 819 CE2 TYR A 55 68.175 7.413 3.304 1.00 0.00 C ATOM 820 CZ TYR A 55 69.314 6.728 3.745 1.00 0.00 C ATOM 821 OH TYR A 55 70.537 6.970 3.151 1.00 0.00 O ATOM 0 H TYR A 55 66.401 5.004 7.806 1.00 0.00 H new ATOM 0 HA TYR A 55 65.791 7.710 6.856 1.00 0.00 H new ATOM 0 HB2 TYR A 55 65.348 4.906 5.731 1.00 0.00 H new ATOM 0 HB3 TYR A 55 64.693 6.341 4.967 1.00 0.00 H new ATOM 0 HD1 TYR A 55 67.898 4.841 6.197 1.00 0.00 H new ATOM 0 HD2 TYR A 55 66.056 7.697 3.570 1.00 0.00 H new ATOM 0 HE1 TYR A 55 70.093 5.274 5.129 1.00 0.00 H new ATOM 0 HE2 TYR A 55 68.252 8.128 2.499 1.00 0.00 H new ATOM 0 HH TYR A 55 70.430 7.640 2.443 1.00 0.00 H new ATOM 831 N GLY A 56 63.682 5.706 8.324 1.00 0.00 N ATOM 832 CA GLY A 56 62.331 5.623 8.875 1.00 0.00 C ATOM 833 C GLY A 56 61.342 5.145 7.817 1.00 0.00 C ATOM 834 O GLY A 56 60.206 5.613 7.753 1.00 0.00 O ATOM 0 H GLY A 56 64.319 4.973 8.637 1.00 0.00 H new ATOM 0 HA2 GLY A 56 62.321 4.939 9.724 1.00 0.00 H new ATOM 0 HA3 GLY A 56 62.026 6.600 9.249 1.00 0.00 H new ATOM 838 N VAL A 57 61.787 4.206 6.985 1.00 0.00 N ATOM 839 CA VAL A 57 60.930 3.671 5.931 1.00 0.00 C ATOM 840 C VAL A 57 60.107 2.499 6.460 1.00 0.00 C ATOM 841 O VAL A 57 60.504 1.827 7.412 1.00 0.00 O ATOM 842 CB VAL A 57 61.776 3.207 4.738 1.00 0.00 C ATOM 843 CG1 VAL A 57 62.547 4.401 4.169 1.00 0.00 C ATOM 844 CG2 VAL A 57 62.775 2.133 5.187 1.00 0.00 C ATOM 0 H VAL A 57 62.724 3.804 7.019 1.00 0.00 H new ATOM 0 HA VAL A 57 60.256 4.463 5.604 1.00 0.00 H new ATOM 0 HB VAL A 57 61.118 2.790 3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 57 63.149 4.075 3.321 1.00 0.00 H new ATOM 0 HG12 VAL A 57 61.843 5.166 3.841 1.00 0.00 H new ATOM 0 HG13 VAL A 57 63.199 4.814 4.939 1.00 0.00 H new ATOM 0 HG21 VAL A 57 63.371 1.810 4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 57 63.432 2.545 5.953 1.00 0.00 H new ATOM 0 HG23 VAL A 57 62.233 1.280 5.595 1.00 0.00 H new ATOM 854 N GLN A 58 58.953 2.258 5.838 1.00 0.00 N ATOM 855 CA GLN A 58 58.094 1.160 6.271 1.00 0.00 C ATOM 856 C GLN A 58 56.916 0.965 5.313 1.00 0.00 C ATOM 857 O GLN A 58 55.751 1.011 5.713 1.00 0.00 O ATOM 858 CB GLN A 58 57.563 1.428 7.683 1.00 0.00 C ATOM 859 CG GLN A 58 56.919 0.155 8.235 1.00 0.00 C ATOM 860 CD GLN A 58 56.151 0.485 9.509 1.00 0.00 C ATOM 861 OE1 GLN A 58 56.652 1.200 10.377 1.00 0.00 O ATOM 862 NE2 GLN A 58 54.949 0.001 9.676 1.00 0.00 N ATOM 0 H GLN A 58 58.598 2.797 5.048 1.00 0.00 H new ATOM 0 HA GLN A 58 58.694 0.250 6.272 1.00 0.00 H new ATOM 0 HB2 GLN A 58 58.376 1.749 8.334 1.00 0.00 H new ATOM 0 HB3 GLN A 58 56.833 2.238 7.661 1.00 0.00 H new ATOM 0 HG2 GLN A 58 56.246 -0.276 7.493 1.00 0.00 H new ATOM 0 HG3 GLN A 58 57.685 -0.592 8.443 1.00 0.00 H new ATOM 0 HE21 GLN A 58 54.533 -0.591 8.957 1.00 0.00 H new ATOM 0 HE22 GLN A 58 54.426 0.216 10.525 1.00 0.00 H new ATOM 871 N LEU A 59 57.230 0.732 4.042 1.00 0.00 N ATOM 872 CA LEU A 59 56.186 0.516 3.043 1.00 0.00 C ATOM 873 C LEU A 59 55.665 -0.915 3.130 1.00 0.00 C ATOM 874 O LEU A 59 54.467 -1.165 2.996 1.00 0.00 O ATOM 875 CB LEU A 59 56.724 0.749 1.631 1.00 0.00 C ATOM 876 CG LEU A 59 57.465 2.070 1.425 1.00 0.00 C ATOM 877 CD1 LEU A 59 57.976 2.139 -0.016 1.00 0.00 C ATOM 878 CD2 LEU A 59 56.514 3.246 1.692 1.00 0.00 C ATOM 0 H LEU A 59 58.183 0.688 3.682 1.00 0.00 H new ATOM 0 HA LEU A 59 55.382 1.224 3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 59 57.397 -0.070 1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.890 0.706 0.930 1.00 0.00 H new ATOM 0 HG LEU A 59 58.306 2.128 2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 59 58.506 3.079 -0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 59 58.654 1.306 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 59 57.133 2.081 -0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 59 57.047 4.185 1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 59 55.670 3.195 1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.149 3.193 2.718 1.00 0.00 H new ATOM 890 N GLY A 60 56.583 -1.849 3.356 1.00 0.00 N ATOM 891 CA GLY A 60 56.218 -3.256 3.461 1.00 0.00 C ATOM 892 C GLY A 60 57.386 -4.080 3.991 1.00 0.00 C ATOM 893 O GLY A 60 58.497 -4.023 3.464 1.00 0.00 O ATOM 0 H GLY A 60 57.579 -1.659 3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 60 55.360 -3.365 4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 60 55.916 -3.632 2.484 1.00 0.00 H new ATOM 897 N ASP A 61 57.120 -4.845 5.046 1.00 0.00 N ATOM 898 CA ASP A 61 58.153 -5.682 5.656 1.00 0.00 C ATOM 899 C ASP A 61 58.717 -6.677 4.643 1.00 0.00 C ATOM 900 O ASP A 61 59.871 -7.095 4.741 1.00 0.00 O ATOM 901 CB ASP A 61 57.578 -6.456 6.843 1.00 0.00 C ATOM 902 CG ASP A 61 57.142 -5.477 7.927 1.00 0.00 C ATOM 903 OD1 ASP A 61 57.894 -4.556 8.203 1.00 0.00 O ATOM 904 OD2 ASP A 61 56.064 -5.662 8.467 1.00 0.00 O ATOM 0 H ASP A 61 56.206 -4.904 5.495 1.00 0.00 H new ATOM 0 HA ASP A 61 58.953 -5.025 5.997 1.00 0.00 H new ATOM 0 HB2 ASP A 61 56.729 -7.059 6.520 1.00 0.00 H new ATOM 0 HB3 ASP A 61 58.326 -7.144 7.239 1.00 0.00 H new ATOM 909 N ASP A 62 57.893 -7.055 3.666 1.00 0.00 N ATOM 910 CA ASP A 62 58.330 -8.004 2.650 1.00 0.00 C ATOM 911 C ASP A 62 59.200 -7.336 1.582 1.00 0.00 C ATOM 912 O ASP A 62 59.681 -8.000 0.662 1.00 0.00 O ATOM 913 CB ASP A 62 57.126 -8.654 1.967 1.00 0.00 C ATOM 914 CG ASP A 62 56.198 -7.570 1.429 1.00 0.00 C ATOM 915 OD1 ASP A 62 55.404 -7.058 2.201 1.00 0.00 O ATOM 916 OD2 ASP A 62 56.296 -7.266 0.251 1.00 0.00 O ATOM 0 H ASP A 62 56.934 -6.723 3.559 1.00 0.00 H new ATOM 0 HA ASP A 62 58.924 -8.762 3.161 1.00 0.00 H new ATOM 0 HB2 ASP A 62 57.460 -9.298 1.153 1.00 0.00 H new ATOM 0 HB3 ASP A 62 56.591 -9.287 2.675 1.00 0.00 H new ATOM 921 N ALA A 63 59.424 -6.024 1.712 1.00 0.00 N ATOM 922 CA ALA A 63 60.261 -5.309 0.754 1.00 0.00 C ATOM 923 C ALA A 63 61.651 -5.937 0.708 1.00 0.00 C ATOM 924 O ALA A 63 62.303 -5.974 -0.335 1.00 0.00 O ATOM 925 CB ALA A 63 60.399 -3.844 1.159 1.00 0.00 C ATOM 0 H ALA A 63 59.042 -5.446 2.461 1.00 0.00 H new ATOM 0 HA ALA A 63 59.790 -5.373 -0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 63 61.026 -3.324 0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 63 59.413 -3.379 1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 63 60.856 -3.781 2.146 1.00 0.00 H new ATOM 931 N VAL A 64 62.083 -6.440 1.860 1.00 0.00 N ATOM 932 CA VAL A 64 63.389 -7.081 1.957 1.00 0.00 C ATOM 933 C VAL A 64 63.391 -8.401 1.188 1.00 0.00 C ATOM 934 O VAL A 64 64.429 -8.846 0.697 1.00 0.00 O ATOM 935 CB VAL A 64 63.752 -7.347 3.423 1.00 0.00 C ATOM 936 CG1 VAL A 64 63.850 -6.016 4.173 1.00 0.00 C ATOM 937 CG2 VAL A 64 62.675 -8.224 4.076 1.00 0.00 C ATOM 0 H VAL A 64 61.554 -6.417 2.732 1.00 0.00 H new ATOM 0 HA VAL A 64 64.129 -6.408 1.523 1.00 0.00 H new ATOM 0 HB VAL A 64 64.711 -7.864 3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 64 64.108 -6.204 5.215 1.00 0.00 H new ATOM 0 HG12 VAL A 64 64.620 -5.396 3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 64 62.892 -5.499 4.124 1.00 0.00 H new ATOM 0 HG21 VAL A 64 62.939 -8.409 5.117 1.00 0.00 H new ATOM 0 HG22 VAL A 64 61.713 -7.713 4.031 1.00 0.00 H new ATOM 0 HG23 VAL A 64 62.607 -9.173 3.544 1.00 0.00 H new ATOM 947 N GLU A 65 62.216 -9.023 1.089 1.00 0.00 N ATOM 948 CA GLU A 65 62.098 -10.290 0.378 1.00 0.00 C ATOM 949 C GLU A 65 62.307 -10.081 -1.117 1.00 0.00 C ATOM 950 O GLU A 65 63.229 -10.638 -1.715 1.00 0.00 O ATOM 951 CB GLU A 65 60.717 -10.908 0.607 1.00 0.00 C ATOM 952 CG GLU A 65 60.786 -12.416 0.360 1.00 0.00 C ATOM 953 CD GLU A 65 59.381 -13.007 0.424 1.00 0.00 C ATOM 954 OE1 GLU A 65 58.469 -12.372 -0.079 1.00 0.00 O ATOM 955 OE2 GLU A 65 59.239 -14.086 0.976 1.00 0.00 O ATOM 0 H GLU A 65 61.344 -8.674 1.487 1.00 0.00 H new ATOM 0 HA GLU A 65 62.864 -10.964 0.762 1.00 0.00 H new ATOM 0 HB2 GLU A 65 60.383 -10.710 1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 65 59.987 -10.452 -0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 65 61.232 -12.616 -0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 65 61.425 -12.889 1.106 1.00 0.00 H new ATOM 962 N LYS A 66 61.440 -9.269 -1.716 1.00 0.00 N ATOM 963 CA LYS A 66 61.535 -8.988 -3.146 1.00 0.00 C ATOM 964 C LYS A 66 62.861 -8.304 -3.473 1.00 0.00 C ATOM 965 O LYS A 66 63.400 -8.458 -4.568 1.00 0.00 O ATOM 966 CB LYS A 66 60.386 -8.083 -3.591 1.00 0.00 C ATOM 967 CG LYS A 66 59.053 -8.710 -3.181 1.00 0.00 C ATOM 968 CD LYS A 66 57.912 -8.023 -3.936 1.00 0.00 C ATOM 969 CE LYS A 66 57.742 -8.675 -5.309 1.00 0.00 C ATOM 970 NZ LYS A 66 57.212 -7.671 -6.273 1.00 0.00 N ATOM 0 H LYS A 66 60.671 -8.798 -1.239 1.00 0.00 H new ATOM 0 HA LYS A 66 61.477 -9.938 -3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 66 60.490 -7.097 -3.139 1.00 0.00 H new ATOM 0 HB3 LYS A 66 60.417 -7.943 -4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 66 59.058 -9.778 -3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 66 58.906 -8.607 -2.106 1.00 0.00 H new ATOM 0 HD2 LYS A 66 56.986 -8.102 -3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 66 58.126 -6.960 -4.050 1.00 0.00 H new ATOM 0 HE2 LYS A 66 58.698 -9.063 -5.660 1.00 0.00 H new ATOM 0 HE3 LYS A 66 57.061 -9.523 -5.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 57.096 -8.114 -7.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 56.291 -7.321 -5.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 57.878 -6.876 -6.347 1.00 0.00 H new ATOM 984 N ALA A 67 63.378 -7.543 -2.510 1.00 0.00 N ATOM 985 CA ALA A 67 64.642 -6.833 -2.704 1.00 0.00 C ATOM 986 C ALA A 67 65.772 -7.810 -3.022 1.00 0.00 C ATOM 987 O ALA A 67 66.354 -8.422 -2.127 1.00 0.00 O ATOM 988 CB ALA A 67 65.010 -6.044 -1.447 1.00 0.00 C ATOM 0 H ALA A 67 62.947 -7.403 -1.596 1.00 0.00 H new ATOM 0 HA ALA A 67 64.511 -6.149 -3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 67 65.953 -5.522 -1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 67 64.226 -5.319 -1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 67 65.114 -6.729 -0.605 1.00 0.00 H new ATOM 994 N THR A 68 66.080 -7.937 -4.310 1.00 0.00 N ATOM 995 CA THR A 68 67.152 -8.829 -4.747 1.00 0.00 C ATOM 996 C THR A 68 68.369 -8.012 -5.182 1.00 0.00 C ATOM 997 O THR A 68 69.510 -8.454 -5.058 1.00 0.00 O ATOM 998 CB THR A 68 66.688 -9.706 -5.915 1.00 0.00 C ATOM 999 OG1 THR A 68 67.765 -10.526 -6.346 1.00 0.00 O ATOM 1000 CG2 THR A 68 66.223 -8.823 -7.076 1.00 0.00 C ATOM 0 H THR A 68 65.608 -7.439 -5.064 1.00 0.00 H new ATOM 0 HA THR A 68 67.422 -9.471 -3.908 1.00 0.00 H new ATOM 0 HB THR A 68 65.859 -10.332 -5.587 1.00 0.00 H new ATOM 0 HG1 THR A 68 67.470 -11.089 -7.092 1.00 0.00 H new ATOM 0 HG21 THR A 68 65.895 -9.453 -7.903 1.00 0.00 H new ATOM 0 HG22 THR A 68 65.395 -8.195 -6.747 1.00 0.00 H new ATOM 0 HG23 THR A 68 67.048 -8.192 -7.406 1.00 0.00 H new ATOM 1008 N THR A 69 68.105 -6.809 -5.688 1.00 0.00 N ATOM 1009 CA THR A 69 69.173 -5.919 -6.134 1.00 0.00 C ATOM 1010 C THR A 69 69.197 -4.677 -5.239 1.00 0.00 C ATOM 1011 O THR A 69 68.279 -4.472 -4.444 1.00 0.00 O ATOM 1012 CB THR A 69 68.944 -5.486 -7.596 1.00 0.00 C ATOM 1013 OG1 THR A 69 67.625 -5.833 -7.998 1.00 0.00 O ATOM 1014 CG2 THR A 69 69.951 -6.183 -8.512 1.00 0.00 C ATOM 0 H THR A 69 67.165 -6.430 -5.799 1.00 0.00 H new ATOM 0 HA THR A 69 70.123 -6.449 -6.070 1.00 0.00 H new ATOM 0 HB THR A 69 69.077 -4.407 -7.669 1.00 0.00 H new ATOM 0 HG1 THR A 69 67.482 -5.555 -8.927 1.00 0.00 H new ATOM 0 HG21 THR A 69 69.782 -5.871 -9.543 1.00 0.00 H new ATOM 0 HG22 THR A 69 70.963 -5.912 -8.213 1.00 0.00 H new ATOM 0 HG23 THR A 69 69.826 -7.263 -8.435 1.00 0.00 H new ATOM 1022 N PRO A 70 70.221 -3.818 -5.356 1.00 0.00 N ATOM 1023 CA PRO A 70 70.286 -2.601 -4.531 1.00 0.00 C ATOM 1024 C PRO A 70 69.217 -1.606 -4.950 1.00 0.00 C ATOM 1025 O PRO A 70 68.600 -0.944 -4.117 1.00 0.00 O ATOM 1026 CB PRO A 70 71.690 -2.080 -4.807 1.00 0.00 C ATOM 1027 CG PRO A 70 72.109 -2.661 -6.146 1.00 0.00 C ATOM 1028 CD PRO A 70 71.346 -3.977 -6.308 1.00 0.00 C ATOM 0 HA PRO A 70 70.104 -2.778 -3.471 1.00 0.00 H new ATOM 0 HB2 PRO A 70 71.701 -0.990 -4.836 1.00 0.00 H new ATOM 0 HB3 PRO A 70 72.379 -2.385 -4.019 1.00 0.00 H new ATOM 0 HG2 PRO A 70 71.873 -1.973 -6.958 1.00 0.00 H new ATOM 0 HG3 PRO A 70 73.185 -2.831 -6.175 1.00 0.00 H new ATOM 0 HD2 PRO A 70 70.995 -4.119 -7.330 1.00 0.00 H new ATOM 0 HD3 PRO A 70 71.967 -4.838 -6.062 1.00 0.00 H new ATOM 1036 N ARG A 71 68.979 -1.535 -6.259 1.00 0.00 N ATOM 1037 CA ARG A 71 67.951 -0.645 -6.789 1.00 0.00 C ATOM 1038 C ARG A 71 66.589 -0.969 -6.167 1.00 0.00 C ATOM 1039 O ARG A 71 65.705 -0.115 -6.101 1.00 0.00 O ATOM 1040 CB ARG A 71 67.847 -0.793 -8.307 1.00 0.00 C ATOM 1041 CG ARG A 71 69.155 -0.336 -8.954 1.00 0.00 C ATOM 1042 CD ARG A 71 69.081 1.161 -9.249 1.00 0.00 C ATOM 1043 NE ARG A 71 70.146 1.556 -10.172 1.00 0.00 N ATOM 1044 CZ ARG A 71 70.267 2.812 -10.627 1.00 0.00 C ATOM 1045 NH1 ARG A 71 69.431 3.753 -10.258 1.00 0.00 N ATOM 1046 NH2 ARG A 71 71.235 3.103 -11.452 1.00 0.00 N ATOM 0 H ARG A 71 69.479 -2.077 -6.964 1.00 0.00 H new ATOM 0 HA ARG A 71 68.233 0.378 -6.540 1.00 0.00 H new ATOM 0 HB2 ARG A 71 67.643 -1.831 -8.569 1.00 0.00 H new ATOM 0 HB3 ARG A 71 67.015 -0.199 -8.685 1.00 0.00 H new ATOM 0 HG2 ARG A 71 69.994 -0.546 -8.291 1.00 0.00 H new ATOM 0 HG3 ARG A 71 69.331 -0.891 -9.876 1.00 0.00 H new ATOM 0 HD2 ARG A 71 68.110 1.405 -9.680 1.00 0.00 H new ATOM 0 HD3 ARG A 71 69.169 1.725 -8.321 1.00 0.00 H new ATOM 0 HE ARG A 71 70.818 0.853 -10.479 1.00 0.00 H new ATOM 0 HH11 ARG A 71 68.671 3.536 -9.613 1.00 0.00 H new ATOM 0 HH12 ARG A 71 69.541 4.702 -10.616 1.00 0.00 H new ATOM 0 HH21 ARG A 71 71.891 2.379 -11.745 1.00 0.00 H new ATOM 0 HH22 ARG A 71 71.336 4.055 -11.804 1.00 0.00 H new ATOM 1060 N ALA A 72 66.432 -2.213 -5.701 1.00 0.00 N ATOM 1061 CA ALA A 72 65.178 -2.628 -5.081 1.00 0.00 C ATOM 1062 C ALA A 72 65.012 -1.942 -3.731 1.00 0.00 C ATOM 1063 O ALA A 72 64.044 -1.222 -3.494 1.00 0.00 O ATOM 1064 CB ALA A 72 65.155 -4.142 -4.876 1.00 0.00 C ATOM 0 H ALA A 72 67.149 -2.938 -5.742 1.00 0.00 H new ATOM 0 HA ALA A 72 64.360 -2.343 -5.743 1.00 0.00 H new ATOM 0 HB1 ALA A 72 64.212 -4.432 -4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 72 65.254 -4.641 -5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 72 65.982 -4.434 -4.229 1.00 0.00 H new ATOM 1070 N LEU A 73 65.985 -2.171 -2.851 1.00 0.00 N ATOM 1071 CA LEU A 73 65.965 -1.569 -1.516 1.00 0.00 C ATOM 1072 C LEU A 73 65.877 -0.050 -1.622 1.00 0.00 C ATOM 1073 O LEU A 73 65.057 0.588 -0.963 1.00 0.00 O ATOM 1074 CB LEU A 73 67.231 -1.931 -0.739 1.00 0.00 C ATOM 1075 CG LEU A 73 67.539 -3.425 -0.655 1.00 0.00 C ATOM 1076 CD1 LEU A 73 68.946 -3.626 -0.091 1.00 0.00 C ATOM 1077 CD2 LEU A 73 66.521 -4.104 0.265 1.00 0.00 C ATOM 0 H LEU A 73 66.793 -2.765 -3.035 1.00 0.00 H new ATOM 0 HA LEU A 73 65.093 -1.956 -0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 73 68.079 -1.427 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 73 67.141 -1.538 0.274 1.00 0.00 H new ATOM 0 HG LEU A 73 67.481 -3.864 -1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 73 69.165 -4.692 -0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 73 69.672 -3.142 -0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 73 69.005 -3.187 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.740 -5.170 0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.580 -3.664 1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.517 -3.962 -0.135 1.00 0.00 H new ATOM 1089 N ILE A 74 66.730 0.519 -2.472 1.00 0.00 N ATOM 1090 CA ILE A 74 66.741 1.968 -2.675 1.00 0.00 C ATOM 1091 C ILE A 74 65.379 2.427 -3.193 1.00 0.00 C ATOM 1092 O ILE A 74 64.861 3.467 -2.790 1.00 0.00 O ATOM 1093 CB ILE A 74 67.827 2.368 -3.684 1.00 0.00 C ATOM 1094 CG1 ILE A 74 69.194 1.889 -3.189 1.00 0.00 C ATOM 1095 CG2 ILE A 74 67.864 3.892 -3.839 1.00 0.00 C ATOM 1096 CD1 ILE A 74 70.231 2.076 -4.300 1.00 0.00 C ATOM 0 H ILE A 74 67.416 0.006 -3.026 1.00 0.00 H new ATOM 0 HA ILE A 74 66.955 2.447 -1.719 1.00 0.00 H new ATOM 0 HB ILE A 74 67.598 1.908 -4.645 1.00 0.00 H new ATOM 0 HG12 ILE A 74 69.489 2.450 -2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 74 69.141 0.840 -2.899 1.00 0.00 H new ATOM 0 HG21 ILE A 74 68.637 4.166 -4.557 1.00 0.00 H new ATOM 0 HG22 ILE A 74 66.896 4.245 -4.196 1.00 0.00 H new ATOM 0 HG23 ILE A 74 68.085 4.351 -2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 74 71.205 1.735 -3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 74 69.937 1.495 -5.174 1.00 0.00 H new ATOM 0 HD13 ILE A 74 70.290 3.131 -4.568 1.00 0.00 H new ATOM 1108 N GLU A 75 64.806 1.632 -4.092 1.00 0.00 N ATOM 1109 CA GLU A 75 63.505 1.964 -4.660 1.00 0.00 C ATOM 1110 C GLU A 75 62.440 1.967 -3.574 1.00 0.00 C ATOM 1111 O GLU A 75 61.620 2.881 -3.489 1.00 0.00 O ATOM 1112 CB GLU A 75 63.117 0.954 -5.740 1.00 0.00 C ATOM 1113 CG GLU A 75 63.644 1.428 -7.096 1.00 0.00 C ATOM 1114 CD GLU A 75 63.459 0.321 -8.129 1.00 0.00 C ATOM 1115 OE1 GLU A 75 62.326 0.077 -8.511 1.00 0.00 O ATOM 1116 OE2 GLU A 75 64.453 -0.265 -8.524 1.00 0.00 O ATOM 0 H GLU A 75 65.216 0.765 -4.439 1.00 0.00 H new ATOM 0 HA GLU A 75 63.574 2.957 -5.105 1.00 0.00 H new ATOM 0 HB2 GLU A 75 63.529 -0.026 -5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 75 62.033 0.844 -5.777 1.00 0.00 H new ATOM 0 HG2 GLU A 75 63.113 2.326 -7.411 1.00 0.00 H new ATOM 0 HG3 GLU A 75 64.698 1.693 -7.016 1.00 0.00 H new ATOM 1123 N MET A 76 62.466 0.935 -2.738 1.00 0.00 N ATOM 1124 CA MET A 76 61.506 0.825 -1.651 1.00 0.00 C ATOM 1125 C MET A 76 61.658 2.005 -0.697 1.00 0.00 C ATOM 1126 O MET A 76 60.679 2.532 -0.169 1.00 0.00 O ATOM 1127 CB MET A 76 61.730 -0.476 -0.880 1.00 0.00 C ATOM 1128 CG MET A 76 61.346 -1.666 -1.762 1.00 0.00 C ATOM 1129 SD MET A 76 59.547 -1.874 -1.745 1.00 0.00 S ATOM 1130 CE MET A 76 59.472 -3.271 -2.894 1.00 0.00 C ATOM 0 H MET A 76 63.137 0.169 -2.793 1.00 0.00 H new ATOM 0 HA MET A 76 60.502 0.827 -2.075 1.00 0.00 H new ATOM 0 HB2 MET A 76 62.774 -0.556 -0.577 1.00 0.00 H new ATOM 0 HB3 MET A 76 61.133 -0.478 0.032 1.00 0.00 H new ATOM 0 HG2 MET A 76 61.694 -1.504 -2.782 1.00 0.00 H new ATOM 0 HG3 MET A 76 61.831 -2.572 -1.400 1.00 0.00 H new ATOM 0 HE1 MET A 76 58.434 -3.572 -3.034 1.00 0.00 H new ATOM 0 HE2 MET A 76 59.897 -2.976 -3.854 1.00 0.00 H new ATOM 0 HE3 MET A 76 60.040 -4.107 -2.487 1.00 0.00 H new ATOM 1140 N THR A 77 62.904 2.418 -0.489 1.00 0.00 N ATOM 1141 CA THR A 77 63.181 3.542 0.396 1.00 0.00 C ATOM 1142 C THR A 77 62.747 4.850 -0.257 1.00 0.00 C ATOM 1143 O THR A 77 61.976 5.618 0.313 1.00 0.00 O ATOM 1144 CB THR A 77 64.677 3.616 0.714 1.00 0.00 C ATOM 1145 OG1 THR A 77 65.198 2.300 0.839 1.00 0.00 O ATOM 1146 CG2 THR A 77 64.886 4.376 2.024 1.00 0.00 C ATOM 0 H THR A 77 63.729 1.997 -0.916 1.00 0.00 H new ATOM 0 HA THR A 77 62.621 3.392 1.319 1.00 0.00 H new ATOM 0 HB THR A 77 65.194 4.138 -0.091 1.00 0.00 H new ATOM 0 HG1 THR A 77 65.487 1.978 -0.040 1.00 0.00 H new ATOM 0 HG21 THR A 77 65.951 4.428 2.249 1.00 0.00 H new ATOM 0 HG22 THR A 77 64.486 5.385 1.927 1.00 0.00 H new ATOM 0 HG23 THR A 77 64.370 3.858 2.832 1.00 0.00 H new ATOM 1154 N ASN A 78 63.247 5.088 -1.468 1.00 0.00 N ATOM 1155 CA ASN A 78 62.910 6.309 -2.205 1.00 0.00 C ATOM 1156 C ASN A 78 61.403 6.437 -2.376 1.00 0.00 C ATOM 1157 O ASN A 78 60.849 7.535 -2.355 1.00 0.00 O ATOM 1158 CB ASN A 78 63.563 6.290 -3.586 1.00 0.00 C ATOM 1159 CG ASN A 78 65.030 6.686 -3.461 1.00 0.00 C ATOM 1160 OD1 ASN A 78 65.415 7.797 -3.818 1.00 0.00 O ATOM 1161 ND2 ASN A 78 65.880 5.834 -2.966 1.00 0.00 N ATOM 0 H ASN A 78 63.882 4.458 -1.958 1.00 0.00 H new ATOM 0 HA ASN A 78 63.281 7.159 -1.632 1.00 0.00 H new ATOM 0 HB2 ASN A 78 63.480 5.296 -4.025 1.00 0.00 H new ATOM 0 HB3 ASN A 78 63.045 6.978 -4.254 1.00 0.00 H new ATOM 0 HD21 ASN A 78 66.863 6.089 -2.875 1.00 0.00 H new ATOM 0 HD22 ASN A 78 65.563 4.911 -2.669 1.00 0.00 H new ATOM 1168 N ALA A 79 60.753 5.293 -2.535 1.00 0.00 N ATOM 1169 CA ALA A 79 59.306 5.257 -2.701 1.00 0.00 C ATOM 1170 C ALA A 79 58.625 5.649 -1.400 1.00 0.00 C ATOM 1171 O ALA A 79 57.559 6.266 -1.395 1.00 0.00 O ATOM 1172 CB ALA A 79 58.852 3.852 -3.089 1.00 0.00 C ATOM 0 H ALA A 79 61.204 4.378 -2.553 1.00 0.00 H new ATOM 0 HA ALA A 79 59.033 5.959 -3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 79 57.769 3.840 -3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 79 59.325 3.563 -4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 79 59.138 3.148 -2.307 1.00 0.00 H new ATOM 1178 N SER A 80 59.257 5.277 -0.295 1.00 0.00 N ATOM 1179 CA SER A 80 58.717 5.582 1.018 1.00 0.00 C ATOM 1180 C SER A 80 58.883 7.067 1.323 1.00 0.00 C ATOM 1181 O SER A 80 57.960 7.721 1.806 1.00 0.00 O ATOM 1182 CB SER A 80 59.422 4.737 2.086 1.00 0.00 C ATOM 1183 OG SER A 80 60.630 5.373 2.485 1.00 0.00 O ATOM 0 H SER A 80 60.140 4.766 -0.284 1.00 0.00 H new ATOM 0 HA SER A 80 57.654 5.342 1.027 1.00 0.00 H new ATOM 0 HB2 SER A 80 58.768 4.605 2.948 1.00 0.00 H new ATOM 0 HB3 SER A 80 59.636 3.743 1.693 1.00 0.00 H new ATOM 0 HG SER A 80 61.329 5.194 1.821 1.00 0.00 H new ATOM 1189 N LEU A 81 60.070 7.592 1.031 1.00 0.00 N ATOM 1190 CA LEU A 81 60.336 9.004 1.276 1.00 0.00 C ATOM 1191 C LEU A 81 59.460 9.875 0.384 1.00 0.00 C ATOM 1192 O LEU A 81 58.832 10.826 0.849 1.00 0.00 O ATOM 1193 CB LEU A 81 61.809 9.340 1.004 1.00 0.00 C ATOM 1194 CG LEU A 81 62.823 8.921 2.085 1.00 0.00 C ATOM 1195 CD1 LEU A 81 62.261 9.175 3.487 1.00 0.00 C ATOM 1196 CD2 LEU A 81 63.150 7.438 1.938 1.00 0.00 C ATOM 0 H LEU A 81 60.850 7.070 0.631 1.00 0.00 H new ATOM 0 HA LEU A 81 60.109 9.204 2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 81 62.098 8.869 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 81 61.892 10.417 0.859 1.00 0.00 H new ATOM 0 HG LEU A 81 63.727 9.516 1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 81 62.995 8.871 4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 81 62.042 10.236 3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 81 61.346 8.598 3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 81 63.868 7.146 2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 81 62.238 6.851 2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 81 63.578 7.256 0.952 1.00 0.00 H new ATOM 1208 N THR A 82 59.422 9.546 -0.905 1.00 0.00 N ATOM 1209 CA THR A 82 58.612 10.321 -1.844 1.00 0.00 C ATOM 1210 C THR A 82 57.128 10.181 -1.508 1.00 0.00 C ATOM 1211 O THR A 82 56.341 11.106 -1.707 1.00 0.00 O ATOM 1212 CB THR A 82 58.854 9.863 -3.289 1.00 0.00 C ATOM 1213 OG1 THR A 82 58.055 10.640 -4.168 1.00 0.00 O ATOM 1214 CG2 THR A 82 58.488 8.384 -3.440 1.00 0.00 C ATOM 0 H THR A 82 59.931 8.765 -1.318 1.00 0.00 H new ATOM 0 HA THR A 82 58.907 11.366 -1.754 1.00 0.00 H new ATOM 0 HB THR A 82 59.908 9.995 -3.534 1.00 0.00 H new ATOM 0 HG1 THR A 82 58.209 10.351 -5.092 1.00 0.00 H new ATOM 0 HG21 THR A 82 58.663 8.069 -4.469 1.00 0.00 H new ATOM 0 HG22 THR A 82 59.104 7.786 -2.768 1.00 0.00 H new ATOM 0 HG23 THR A 82 57.436 8.242 -3.191 1.00 0.00 H new ATOM 1222 N GLY A 83 56.759 9.010 -0.994 1.00 0.00 N ATOM 1223 CA GLY A 83 55.368 8.753 -0.629 1.00 0.00 C ATOM 1224 C GLY A 83 54.896 9.733 0.441 1.00 0.00 C ATOM 1225 O GLY A 83 53.715 10.073 0.512 1.00 0.00 O ATOM 0 H GLY A 83 57.396 8.232 -0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 83 54.734 8.839 -1.512 1.00 0.00 H new ATOM 0 HA3 GLY A 83 55.267 7.732 -0.262 1.00 0.00 H new ATOM 1229 N ALA A 84 55.832 10.183 1.275 1.00 0.00 N ATOM 1230 CA ALA A 84 55.503 11.126 2.342 1.00 0.00 C ATOM 1231 C ALA A 84 54.504 10.499 3.314 1.00 0.00 C ATOM 1232 O ALA A 84 53.453 11.069 3.612 1.00 0.00 O ATOM 1233 CB ALA A 84 54.912 12.414 1.760 1.00 0.00 C ATOM 0 H ALA A 84 56.815 9.913 1.234 1.00 0.00 H new ATOM 0 HA ALA A 84 56.421 11.368 2.877 1.00 0.00 H new ATOM 0 HB1 ALA A 84 54.674 13.103 2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 84 55.637 12.877 1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 84 54.004 12.179 1.204 1.00 0.00 H new ATOM 1239 N SER A 85 54.850 9.313 3.810 1.00 0.00 N ATOM 1240 CA SER A 85 53.985 8.603 4.753 1.00 0.00 C ATOM 1241 C SER A 85 52.634 8.280 4.104 1.00 0.00 C ATOM 1242 O SER A 85 52.213 8.960 3.167 1.00 0.00 O ATOM 1243 CB SER A 85 53.748 9.446 6.007 1.00 0.00 C ATOM 1244 OG SER A 85 54.760 9.158 6.964 1.00 0.00 O ATOM 0 H SER A 85 55.715 8.826 3.578 1.00 0.00 H new ATOM 0 HA SER A 85 54.485 7.675 5.031 1.00 0.00 H new ATOM 0 HB2 SER A 85 53.761 10.506 5.754 1.00 0.00 H new ATOM 0 HB3 SER A 85 52.764 9.230 6.424 1.00 0.00 H new ATOM 0 HG SER A 85 54.612 9.698 7.769 1.00 0.00 H new ATOM 1250 N PRO A 86 51.934 7.240 4.591 1.00 0.00 N ATOM 1251 CA PRO A 86 50.625 6.853 4.034 1.00 0.00 C ATOM 1252 C PRO A 86 49.478 7.691 4.593 1.00 0.00 C ATOM 1253 O PRO A 86 49.696 8.715 5.241 1.00 0.00 O ATOM 1254 CB PRO A 86 50.502 5.401 4.479 1.00 0.00 C ATOM 1255 CG PRO A 86 51.388 5.231 5.708 1.00 0.00 C ATOM 1256 CD PRO A 86 52.391 6.388 5.715 1.00 0.00 C ATOM 0 HA PRO A 86 50.567 7.000 2.956 1.00 0.00 H new ATOM 0 HB2 PRO A 86 49.466 5.157 4.714 1.00 0.00 H new ATOM 0 HB3 PRO A 86 50.815 4.726 3.682 1.00 0.00 H new ATOM 0 HG2 PRO A 86 50.788 5.238 6.618 1.00 0.00 H new ATOM 0 HG3 PRO A 86 51.907 4.273 5.677 1.00 0.00 H new ATOM 0 HD2 PRO A 86 52.376 6.928 6.662 1.00 0.00 H new ATOM 0 HD3 PRO A 86 53.412 6.037 5.565 1.00 0.00 H new ATOM 1264 N SER A 87 48.254 7.241 4.336 1.00 0.00 N ATOM 1265 CA SER A 87 47.074 7.954 4.818 1.00 0.00 C ATOM 1266 C SER A 87 45.832 7.076 4.688 1.00 0.00 C ATOM 1267 O SER A 87 44.733 7.568 4.431 1.00 0.00 O ATOM 1268 CB SER A 87 46.863 9.240 4.019 1.00 0.00 C ATOM 1269 OG SER A 87 47.619 10.289 4.609 1.00 0.00 O ATOM 0 H SER A 87 48.053 6.395 3.803 1.00 0.00 H new ATOM 0 HA SER A 87 47.235 8.202 5.867 1.00 0.00 H new ATOM 0 HB2 SER A 87 47.170 9.093 2.984 1.00 0.00 H new ATOM 0 HB3 SER A 87 45.805 9.503 4.004 1.00 0.00 H new ATOM 0 HG SER A 87 48.472 9.934 4.935 1.00 0.00 H new ATOM 1275 N ALA A 88 46.028 5.770 4.870 1.00 0.00 N ATOM 1276 CA ALA A 88 44.928 4.808 4.776 1.00 0.00 C ATOM 1277 C ALA A 88 44.343 4.789 3.362 1.00 0.00 C ATOM 1278 O ALA A 88 44.646 3.900 2.566 1.00 0.00 O ATOM 1279 CB ALA A 88 43.823 5.142 5.785 1.00 0.00 C ATOM 0 H ALA A 88 46.935 5.354 5.083 1.00 0.00 H new ATOM 0 HA ALA A 88 45.330 3.822 5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 88 43.017 4.414 5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 88 44.231 5.110 6.795 1.00 0.00 H new ATOM 0 HB3 ALA A 88 43.434 6.140 5.582 1.00 0.00 H new ATOM 1285 N GLY A 89 43.503 5.776 3.055 1.00 0.00 N ATOM 1286 CA GLY A 89 42.886 5.855 1.733 1.00 0.00 C ATOM 1287 C GLY A 89 41.865 6.986 1.680 1.00 0.00 C ATOM 1288 O GLY A 89 41.855 7.874 2.532 1.00 0.00 O ATOM 0 H GLY A 89 43.237 6.524 3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 89 43.654 6.017 0.977 1.00 0.00 H new ATOM 0 HA3 GLY A 89 42.400 4.909 1.496 1.00 0.00 H new ATOM 1292 N GLY A 90 41.006 6.942 0.666 1.00 0.00 N ATOM 1293 CA GLY A 90 39.979 7.969 0.506 1.00 0.00 C ATOM 1294 C GLY A 90 39.124 7.692 -0.726 1.00 0.00 C ATOM 1295 O GLY A 90 39.226 8.383 -1.739 1.00 0.00 O ATOM 0 H GLY A 90 40.999 6.216 -0.050 1.00 0.00 H new ATOM 0 HA2 GLY A 90 39.347 7.999 1.394 1.00 0.00 H new ATOM 0 HA3 GLY A 90 40.449 8.948 0.416 1.00 0.00 H new ATOM 1299 N ALA A 91 38.280 6.670 -0.627 1.00 0.00 N ATOM 1300 CA ALA A 91 37.407 6.304 -1.740 1.00 0.00 C ATOM 1301 C ALA A 91 36.445 7.443 -2.058 1.00 0.00 C ATOM 1302 O ALA A 91 36.376 8.438 -1.335 1.00 0.00 O ATOM 1303 CB ALA A 91 36.600 5.050 -1.398 1.00 0.00 C ATOM 0 H ALA A 91 38.181 6.085 0.203 1.00 0.00 H new ATOM 0 HA ALA A 91 38.035 6.105 -2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 91 35.955 4.792 -2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 91 37.281 4.223 -1.196 1.00 0.00 H new ATOM 0 HB3 ALA A 91 35.988 5.240 -0.516 1.00 0.00 H new ATOM 1309 N ALA A 92 35.703 7.287 -3.151 1.00 0.00 N ATOM 1310 CA ALA A 92 34.744 8.309 -3.562 1.00 0.00 C ATOM 1311 C ALA A 92 33.328 7.740 -3.563 1.00 0.00 C ATOM 1312 O ALA A 92 32.873 7.171 -4.554 1.00 0.00 O ATOM 1313 CB ALA A 92 35.075 8.822 -4.963 1.00 0.00 C ATOM 0 H ALA A 92 35.746 6.472 -3.763 1.00 0.00 H new ATOM 0 HA ALA A 92 34.805 9.133 -2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 92 34.350 9.583 -5.253 1.00 0.00 H new ATOM 0 HB2 ALA A 92 36.075 9.255 -4.965 1.00 0.00 H new ATOM 0 HB3 ALA A 92 35.036 7.995 -5.672 1.00 0.00 H new ATOM 1319 N ARG A 93 32.637 7.904 -2.438 1.00 0.00 N ATOM 1320 CA ARG A 93 31.271 7.403 -2.315 1.00 0.00 C ATOM 1321 C ARG A 93 30.489 8.232 -1.300 1.00 0.00 C ATOM 1322 O ARG A 93 29.613 7.721 -0.604 1.00 0.00 O ATOM 1323 CB ARG A 93 31.273 5.940 -1.869 1.00 0.00 C ATOM 1324 CG ARG A 93 32.097 5.798 -0.586 1.00 0.00 C ATOM 1325 CD ARG A 93 31.489 4.703 0.292 1.00 0.00 C ATOM 1326 NE ARG A 93 32.513 4.100 1.149 1.00 0.00 N ATOM 1327 CZ ARG A 93 32.202 3.268 2.153 1.00 0.00 C ATOM 1328 NH1 ARG A 93 30.956 2.953 2.416 1.00 0.00 N ATOM 1329 NH2 ARG A 93 33.157 2.761 2.884 1.00 0.00 N ATOM 0 H ARG A 93 32.995 8.375 -1.607 1.00 0.00 H new ATOM 0 HA ARG A 93 30.795 7.482 -3.293 1.00 0.00 H new ATOM 0 HB2 ARG A 93 30.252 5.600 -1.697 1.00 0.00 H new ATOM 0 HB3 ARG A 93 31.691 5.310 -2.654 1.00 0.00 H new ATOM 0 HG2 ARG A 93 33.130 5.551 -0.830 1.00 0.00 H new ATOM 0 HG3 ARG A 93 32.114 6.744 -0.046 1.00 0.00 H new ATOM 0 HD2 ARG A 93 30.693 5.123 0.907 1.00 0.00 H new ATOM 0 HD3 ARG A 93 31.035 3.936 -0.336 1.00 0.00 H new ATOM 0 HE ARG A 93 33.494 4.320 0.976 1.00 0.00 H new ATOM 0 HH11 ARG A 93 30.201 3.343 1.852 1.00 0.00 H new ATOM 0 HH12 ARG A 93 30.742 2.318 3.185 1.00 0.00 H new ATOM 0 HH21 ARG A 93 34.130 2.999 2.689 1.00 0.00 H new ATOM 0 HH22 ARG A 93 32.931 2.127 3.650 1.00 0.00 H new ATOM 1343 N ASP A 94 30.821 9.518 -1.224 1.00 0.00 N ATOM 1344 CA ASP A 94 30.153 10.413 -0.299 1.00 0.00 C ATOM 1345 C ASP A 94 29.879 11.752 -1.002 1.00 0.00 C ATOM 1346 O ASP A 94 29.811 11.810 -2.230 1.00 0.00 O ATOM 1347 CB ASP A 94 31.032 10.608 0.953 1.00 0.00 C ATOM 1348 CG ASP A 94 32.340 11.302 0.575 1.00 0.00 C ATOM 1349 OD1 ASP A 94 32.327 12.514 0.435 1.00 0.00 O ATOM 1350 OD2 ASP A 94 33.334 10.609 0.431 1.00 0.00 O ATOM 0 H ASP A 94 31.546 9.957 -1.791 1.00 0.00 H new ATOM 0 HA ASP A 94 29.201 9.988 0.018 1.00 0.00 H new ATOM 0 HB2 ASP A 94 30.497 11.203 1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 94 31.243 9.642 1.412 1.00 0.00 H new ATOM 1355 N LYS A 95 29.723 12.816 -0.226 1.00 0.00 N ATOM 1356 CA LYS A 95 29.458 14.133 -0.798 1.00 0.00 C ATOM 1357 C LYS A 95 30.301 15.196 -0.101 1.00 0.00 C ATOM 1358 O LYS A 95 30.111 15.388 1.089 1.00 0.00 O ATOM 1359 CB LYS A 95 27.979 14.494 -0.651 1.00 0.00 C ATOM 1360 CG LYS A 95 27.655 15.697 -1.540 1.00 0.00 C ATOM 1361 CD LYS A 95 26.511 16.500 -0.918 1.00 0.00 C ATOM 1362 CE LYS A 95 25.185 15.777 -1.167 1.00 0.00 C ATOM 1363 NZ LYS A 95 24.054 16.708 -0.895 1.00 0.00 N ATOM 1364 OXT LYS A 95 31.123 15.802 -0.767 1.00 0.00 O ATOM 0 H LYS A 95 29.774 12.796 0.793 1.00 0.00 H new ATOM 0 HA LYS A 95 29.719 14.098 -1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 95 27.357 13.644 -0.931 1.00 0.00 H new ATOM 0 HB3 LYS A 95 27.752 14.726 0.390 1.00 0.00 H new ATOM 0 HG2 LYS A 95 28.537 16.328 -1.652 1.00 0.00 H new ATOM 0 HG3 LYS A 95 27.376 15.360 -2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 95 26.677 16.620 0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 95 26.478 17.501 -1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 95 25.139 15.423 -2.197 1.00 0.00 H new ATOM 0 HE3 LYS A 95 25.111 14.900 -0.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 23.152 16.218 -1.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 24.096 17.025 0.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 24.123 17.532 -1.526 1.00 0.00 H new TER 1378 LYS A 95