USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 794 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 37 SER OG : rot 118:sc= 0.467 USER MOD Set 1.2: A 87 TYR OH : rot -71:sc= 0.879 USER MOD Set 2.1: A 64 ASN : amide:sc= -1.84! K(o=-2!,f=-0.092) USER MOD Set 2.2: A 68 THR OG1 : rot 180:sc= -0.169 USER MOD Set 2.3: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 60 ASN : amide:sc= -1.74 K(o=-2.2,f=-0.57) USER MOD Set 3.2: A 72 THR OG1 : rot 180:sc= -0.446 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -55:sc= 0.209 USER MOD Single : A 6 SER OG : rot 104:sc= 1.25 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -39:sc= 0.0796 USER MOD Single : A 31 GLN : amide:sc= -3.68! C(o=-3.7!,f=-4.6!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -64:sc= 0.0185 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -2.42! K(o=-2.4!,f=-1.2) USER MOD Single : A 73 TYR OH : rot -170:sc= 0.356 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0359 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -3.7! K(o=-3.7!,f=-0.74) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.995 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -129:sc= -0.605 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -17:sc= -0.541 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.880 39.993 -4.973 1.00 0.00 N ATOM 2 CA GLY A 1 5.005 39.992 -3.815 1.00 0.00 C ATOM 3 C GLY A 1 4.005 38.853 -3.846 1.00 0.00 C ATOM 4 O GLY A 1 2.946 38.965 -4.463 1.00 0.00 O ATOM 0 H1 GLY A 1 6.545 40.790 -4.905 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.412 39.100 -5.007 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.311 40.090 -5.838 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.606 39.919 -2.909 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.470 40.940 -3.767 1.00 0.00 H new ATOM 8 N SER A 2 4.341 37.754 -3.179 1.00 0.00 N ATOM 9 CA SER A 2 3.467 36.588 -3.136 1.00 0.00 C ATOM 10 C SER A 2 3.015 36.299 -1.707 1.00 0.00 C ATOM 11 O SER A 2 3.566 36.841 -0.749 1.00 0.00 O ATOM 12 CB SER A 2 4.184 35.365 -3.712 1.00 0.00 C ATOM 13 OG SER A 2 5.432 35.157 -3.073 1.00 0.00 O ATOM 0 H SER A 2 5.213 37.647 -2.661 1.00 0.00 H new ATOM 0 HA SER A 2 2.586 36.803 -3.741 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.558 34.481 -3.590 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.338 35.501 -4.782 1.00 0.00 H new ATOM 0 HG SER A 2 5.869 34.369 -3.458 1.00 0.00 H new ATOM 19 N SER A 3 2.008 35.442 -1.574 1.00 0.00 N ATOM 20 CA SER A 3 1.479 35.083 -0.263 1.00 0.00 C ATOM 21 C SER A 3 2.477 34.229 0.511 1.00 0.00 C ATOM 22 O SER A 3 2.705 33.066 0.180 1.00 0.00 O ATOM 23 CB SER A 3 0.155 34.330 -0.414 1.00 0.00 C ATOM 24 OG SER A 3 -0.853 35.172 -0.946 1.00 0.00 O ATOM 0 H SER A 3 1.542 34.984 -2.357 1.00 0.00 H new ATOM 0 HA SER A 3 1.305 36.003 0.296 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.295 33.468 -1.067 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.162 33.947 0.556 1.00 0.00 H new ATOM 0 HG SER A 3 -1.688 34.667 -1.034 1.00 0.00 H new ATOM 30 N GLY A 4 3.071 34.816 1.546 1.00 0.00 N ATOM 31 CA GLY A 4 4.039 34.095 2.352 1.00 0.00 C ATOM 32 C GLY A 4 3.422 32.924 3.090 1.00 0.00 C ATOM 33 O GLY A 4 2.246 32.611 2.899 1.00 0.00 O ATOM 0 H GLY A 4 2.899 35.777 1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.843 33.734 1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.488 34.779 3.072 1.00 0.00 H new ATOM 37 N SER A 5 4.216 32.274 3.934 1.00 0.00 N ATOM 38 CA SER A 5 3.742 31.127 4.699 1.00 0.00 C ATOM 39 C SER A 5 2.872 30.219 3.835 1.00 0.00 C ATOM 40 O SER A 5 1.838 29.723 4.282 1.00 0.00 O ATOM 41 CB SER A 5 2.953 31.594 5.923 1.00 0.00 C ATOM 42 OG SER A 5 2.751 30.529 6.837 1.00 0.00 O ATOM 0 H SER A 5 5.190 32.522 4.105 1.00 0.00 H new ATOM 0 HA SER A 5 4.611 30.559 5.031 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.489 32.405 6.417 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.989 31.994 5.607 1.00 0.00 H new ATOM 0 HG SER A 5 2.314 29.782 6.377 1.00 0.00 H new ATOM 48 N SER A 6 3.299 30.007 2.594 1.00 0.00 N ATOM 49 CA SER A 6 2.557 29.163 1.664 1.00 0.00 C ATOM 50 C SER A 6 3.236 27.806 1.502 1.00 0.00 C ATOM 51 O SER A 6 4.389 27.723 1.081 1.00 0.00 O ATOM 52 CB SER A 6 2.436 29.851 0.303 1.00 0.00 C ATOM 53 OG SER A 6 1.381 30.796 0.302 1.00 0.00 O ATOM 0 H SER A 6 4.154 30.408 2.209 1.00 0.00 H new ATOM 0 HA SER A 6 1.559 29.004 2.073 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.375 30.349 0.059 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.260 29.104 -0.471 1.00 0.00 H new ATOM 0 HG SER A 6 1.753 31.701 0.357 1.00 0.00 H new ATOM 59 N GLY A 7 2.511 26.744 1.841 1.00 0.00 N ATOM 60 CA GLY A 7 3.059 25.406 1.728 1.00 0.00 C ATOM 61 C GLY A 7 2.856 24.587 2.987 1.00 0.00 C ATOM 62 O GLY A 7 3.647 24.671 3.926 1.00 0.00 O ATOM 0 H GLY A 7 1.554 26.787 2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.591 24.895 0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.125 25.471 1.509 1.00 0.00 H new ATOM 66 N VAL A 8 1.789 23.792 3.008 1.00 0.00 N ATOM 67 CA VAL A 8 1.483 22.955 4.163 1.00 0.00 C ATOM 68 C VAL A 8 1.378 21.487 3.764 1.00 0.00 C ATOM 69 O VAL A 8 1.148 21.164 2.598 1.00 0.00 O ATOM 70 CB VAL A 8 0.168 23.388 4.837 1.00 0.00 C ATOM 71 CG1 VAL A 8 -1.014 23.134 3.914 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.015 22.664 6.162 1.00 0.00 C ATOM 0 H VAL A 8 1.123 23.710 2.239 1.00 0.00 H new ATOM 0 HA VAL A 8 2.303 23.079 4.871 1.00 0.00 H new ATOM 0 HB VAL A 8 0.218 24.458 5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.934 23.446 4.407 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.885 23.702 2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.071 22.071 3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.949 22.982 6.624 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.044 21.588 5.988 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.817 22.902 6.825 1.00 0.00 H new ATOM 82 N VAL A 9 1.547 20.601 4.740 1.00 0.00 N ATOM 83 CA VAL A 9 1.470 19.166 4.492 1.00 0.00 C ATOM 84 C VAL A 9 0.090 18.622 4.845 1.00 0.00 C ATOM 85 O VAL A 9 -0.451 18.917 5.912 1.00 0.00 O ATOM 86 CB VAL A 9 2.534 18.400 5.297 1.00 0.00 C ATOM 87 CG1 VAL A 9 2.289 16.900 5.215 1.00 0.00 C ATOM 88 CG2 VAL A 9 3.929 18.748 4.802 1.00 0.00 C ATOM 0 H VAL A 9 1.738 20.852 5.710 1.00 0.00 H new ATOM 0 HA VAL A 9 1.655 19.017 3.428 1.00 0.00 H new ATOM 0 HB VAL A 9 2.459 18.700 6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.051 16.375 5.790 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.304 16.669 5.622 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.336 16.580 4.174 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.669 18.197 5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.019 18.478 3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.100 19.818 4.918 1.00 0.00 H new ATOM 98 N ASP A 10 -0.474 17.825 3.944 1.00 0.00 N ATOM 99 CA ASP A 10 -1.790 17.236 4.162 1.00 0.00 C ATOM 100 C ASP A 10 -1.788 15.753 3.806 1.00 0.00 C ATOM 101 O ASP A 10 -1.944 15.367 2.648 1.00 0.00 O ATOM 102 CB ASP A 10 -2.844 17.971 3.331 1.00 0.00 C ATOM 103 CG ASP A 10 -4.209 17.965 3.991 1.00 0.00 C ATOM 104 OD1 ASP A 10 -4.266 17.852 5.233 1.00 0.00 O ATOM 105 OD2 ASP A 10 -5.220 18.073 3.266 1.00 0.00 O ATOM 0 H ASP A 10 -0.040 17.572 3.056 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.036 17.337 5.219 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.525 19.001 3.173 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -2.917 17.506 2.348 1.00 0.00 H new ATOM 110 N PRO A 11 -1.606 14.900 4.825 1.00 0.00 N ATOM 111 CA PRO A 11 -1.577 13.446 4.646 1.00 0.00 C ATOM 112 C PRO A 11 -2.948 12.879 4.288 1.00 0.00 C ATOM 113 O PRO A 11 -3.107 11.669 4.130 1.00 0.00 O ATOM 114 CB PRO A 11 -1.124 12.928 6.013 1.00 0.00 C ATOM 115 CG PRO A 11 -1.535 13.988 6.974 1.00 0.00 C ATOM 116 CD PRO A 11 -1.413 15.290 6.232 1.00 0.00 C ATOM 0 HA PRO A 11 -0.923 13.149 3.826 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.595 11.974 6.251 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.046 12.767 6.038 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.557 13.829 7.317 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.898 13.982 7.858 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.165 16.009 6.556 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.439 15.753 6.391 1.00 0.00 H new ATOM 124 N SER A 12 -3.933 13.762 4.163 1.00 0.00 N ATOM 125 CA SER A 12 -5.291 13.349 3.827 1.00 0.00 C ATOM 126 C SER A 12 -5.568 13.550 2.340 1.00 0.00 C ATOM 127 O SER A 12 -6.627 13.172 1.837 1.00 0.00 O ATOM 128 CB SER A 12 -6.306 14.137 4.658 1.00 0.00 C ATOM 129 OG SER A 12 -6.223 13.787 6.029 1.00 0.00 O ATOM 0 H SER A 12 -3.817 14.767 4.289 1.00 0.00 H new ATOM 0 HA SER A 12 -5.389 12.288 4.057 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.126 15.206 4.541 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.313 13.941 4.290 1.00 0.00 H new ATOM 0 HG SER A 12 -6.880 14.305 6.539 1.00 0.00 H new ATOM 135 N LYS A 13 -4.609 14.147 1.642 1.00 0.00 N ATOM 136 CA LYS A 13 -4.746 14.399 0.212 1.00 0.00 C ATOM 137 C LYS A 13 -4.039 13.319 -0.601 1.00 0.00 C ATOM 138 O LYS A 13 -4.157 13.272 -1.825 1.00 0.00 O ATOM 139 CB LYS A 13 -4.176 15.774 -0.142 1.00 0.00 C ATOM 140 CG LYS A 13 -4.711 16.897 0.729 1.00 0.00 C ATOM 141 CD LYS A 13 -6.069 17.377 0.249 1.00 0.00 C ATOM 142 CE LYS A 13 -7.199 16.579 0.882 1.00 0.00 C ATOM 143 NZ LYS A 13 -8.456 17.371 0.973 1.00 0.00 N ATOM 0 H LYS A 13 -3.727 14.466 2.043 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.808 14.378 -0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.090 15.742 -0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.403 15.995 -1.185 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.790 16.553 1.760 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.007 17.729 0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.189 18.433 0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.124 17.290 -0.836 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.380 15.678 0.296 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.901 16.256 1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.201 16.791 1.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.291 18.218 1.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.755 17.658 0.019 1.00 0.00 H new ATOM 157 N VAL A 14 -3.305 12.451 0.088 1.00 0.00 N ATOM 158 CA VAL A 14 -2.582 11.369 -0.570 1.00 0.00 C ATOM 159 C VAL A 14 -3.471 10.144 -0.754 1.00 0.00 C ATOM 160 O VAL A 14 -4.135 9.698 0.183 1.00 0.00 O ATOM 161 CB VAL A 14 -1.329 10.965 0.231 1.00 0.00 C ATOM 162 CG1 VAL A 14 -1.697 10.635 1.669 1.00 0.00 C ATOM 163 CG2 VAL A 14 -0.631 9.787 -0.434 1.00 0.00 C ATOM 0 H VAL A 14 -3.195 12.476 1.102 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.276 11.741 -1.548 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.639 11.808 0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.799 10.352 2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.150 11.508 2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.406 9.808 1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.252 9.514 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.313 8.938 -0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.332 10.065 -1.445 1.00 0.00 H new ATOM 173 N LYS A 15 -3.480 9.605 -1.967 1.00 0.00 N ATOM 174 CA LYS A 15 -4.287 8.429 -2.276 1.00 0.00 C ATOM 175 C LYS A 15 -3.440 7.348 -2.939 1.00 0.00 C ATOM 176 O LYS A 15 -2.277 7.575 -3.274 1.00 0.00 O ATOM 177 CB LYS A 15 -5.454 8.812 -3.190 1.00 0.00 C ATOM 178 CG LYS A 15 -6.320 9.928 -2.634 1.00 0.00 C ATOM 179 CD LYS A 15 -5.818 11.295 -3.073 1.00 0.00 C ATOM 180 CE LYS A 15 -6.184 11.584 -4.520 1.00 0.00 C ATOM 181 NZ LYS A 15 -5.875 12.991 -4.899 1.00 0.00 N ATOM 0 H LYS A 15 -2.938 9.963 -2.753 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.682 8.033 -1.340 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.060 9.117 -4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.075 7.932 -3.361 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.349 9.793 -2.968 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.329 9.875 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.243 12.064 -2.428 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.736 11.342 -2.954 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.640 10.903 -5.175 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.246 11.392 -4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.139 13.149 -5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.413 13.641 -4.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.857 13.167 -4.779 1.00 0.00 H new ATOM 195 N ILE A 16 -4.032 6.173 -3.128 1.00 0.00 N ATOM 196 CA ILE A 16 -3.332 5.058 -3.754 1.00 0.00 C ATOM 197 C ILE A 16 -4.271 4.249 -4.643 1.00 0.00 C ATOM 198 O ILE A 16 -5.396 3.937 -4.254 1.00 0.00 O ATOM 199 CB ILE A 16 -2.707 4.123 -2.702 1.00 0.00 C ATOM 200 CG1 ILE A 16 -3.801 3.466 -1.858 1.00 0.00 C ATOM 201 CG2 ILE A 16 -1.739 4.893 -1.817 1.00 0.00 C ATOM 202 CD1 ILE A 16 -3.265 2.555 -0.776 1.00 0.00 C ATOM 0 H ILE A 16 -4.994 5.969 -2.857 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.537 5.487 -4.364 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.152 3.339 -3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.410 4.244 -1.398 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.458 2.892 -2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.306 4.218 -1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.945 5.318 -2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.272 5.695 -1.307 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.096 2.124 -0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.680 1.755 -1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.632 3.128 -0.099 1.00 0.00 H new ATOM 214 N ALA A 17 -3.801 3.912 -5.839 1.00 0.00 N ATOM 215 CA ALA A 17 -4.596 3.137 -6.782 1.00 0.00 C ATOM 216 C ALA A 17 -3.734 2.119 -7.521 1.00 0.00 C ATOM 217 O ALA A 17 -2.698 2.464 -8.088 1.00 0.00 O ATOM 218 CB ALA A 17 -5.290 4.060 -7.772 1.00 0.00 C ATOM 0 H ALA A 17 -2.873 4.164 -6.178 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.353 2.592 -6.218 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.880 3.467 -8.470 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.945 4.745 -7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.542 4.631 -8.323 1.00 0.00 H new ATOM 224 N GLY A 18 -4.169 0.862 -7.511 1.00 0.00 N ATOM 225 CA GLY A 18 -3.424 -0.186 -8.183 1.00 0.00 C ATOM 226 C GLY A 18 -4.018 -1.561 -7.948 1.00 0.00 C ATOM 227 O GLY A 18 -4.822 -1.766 -7.039 1.00 0.00 O ATOM 0 H GLY A 18 -5.024 0.551 -7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.401 0.018 -9.253 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.392 -0.175 -7.834 1.00 0.00 H new ATOM 231 N PRO A 19 -3.619 -2.532 -8.783 1.00 0.00 N ATOM 232 CA PRO A 19 -4.105 -3.912 -8.682 1.00 0.00 C ATOM 233 C PRO A 19 -3.575 -4.625 -7.441 1.00 0.00 C ATOM 234 O PRO A 19 -4.190 -5.569 -6.947 1.00 0.00 O ATOM 235 CB PRO A 19 -3.562 -4.573 -9.951 1.00 0.00 C ATOM 236 CG PRO A 19 -2.359 -3.770 -10.312 1.00 0.00 C ATOM 237 CD PRO A 19 -2.662 -2.360 -9.887 1.00 0.00 C ATOM 0 HA PRO A 19 -5.190 -3.956 -8.593 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.303 -5.617 -9.774 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.302 -4.560 -10.752 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.471 -4.148 -9.806 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.162 -3.821 -11.383 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.763 -1.837 -9.561 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.091 -1.778 -10.703 1.00 0.00 H new ATOM 245 N GLY A 20 -2.431 -4.165 -6.944 1.00 0.00 N ATOM 246 CA GLY A 20 -1.839 -4.770 -5.765 1.00 0.00 C ATOM 247 C GLY A 20 -2.717 -4.628 -4.537 1.00 0.00 C ATOM 248 O GLY A 20 -2.800 -5.541 -3.715 1.00 0.00 O ATOM 0 H GLY A 20 -1.904 -3.385 -7.336 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.656 -5.827 -5.956 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.871 -4.308 -5.571 1.00 0.00 H new ATOM 252 N LEU A 21 -3.373 -3.480 -4.411 1.00 0.00 N ATOM 253 CA LEU A 21 -4.248 -3.221 -3.273 1.00 0.00 C ATOM 254 C LEU A 21 -5.638 -3.802 -3.510 1.00 0.00 C ATOM 255 O LEU A 21 -6.420 -3.974 -2.576 1.00 0.00 O ATOM 256 CB LEU A 21 -4.349 -1.716 -3.014 1.00 0.00 C ATOM 257 CG LEU A 21 -3.026 -0.981 -2.800 1.00 0.00 C ATOM 258 CD1 LEU A 21 -3.138 0.464 -3.260 1.00 0.00 C ATOM 259 CD2 LEU A 21 -2.609 -1.048 -1.339 1.00 0.00 C ATOM 0 H LEU A 21 -3.316 -2.714 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.817 -3.706 -2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.864 -1.256 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.974 -1.560 -2.135 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.258 -1.472 -3.398 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.187 0.972 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.389 0.490 -4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.918 0.968 -2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.665 -0.520 -1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.376 -0.583 -0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.487 -2.090 -1.043 1.00 0.00 H new ATOM 271 N GLY A 22 -5.940 -4.105 -4.770 1.00 0.00 N ATOM 272 CA GLY A 22 -7.235 -4.666 -5.108 1.00 0.00 C ATOM 273 C GLY A 22 -7.525 -5.949 -4.357 1.00 0.00 C ATOM 274 O GLY A 22 -6.682 -6.442 -3.607 1.00 0.00 O ATOM 0 H GLY A 22 -5.311 -3.972 -5.562 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.013 -3.935 -4.886 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.275 -4.859 -6.180 1.00 0.00 H new ATOM 278 N SER A 23 -8.721 -6.493 -4.558 1.00 0.00 N ATOM 279 CA SER A 23 -9.122 -7.725 -3.888 1.00 0.00 C ATOM 280 C SER A 23 -8.771 -8.944 -4.736 1.00 0.00 C ATOM 281 O SER A 23 -8.800 -10.076 -4.259 1.00 0.00 O ATOM 282 CB SER A 23 -10.625 -7.707 -3.600 1.00 0.00 C ATOM 283 OG SER A 23 -10.979 -8.727 -2.680 1.00 0.00 O ATOM 0 H SER A 23 -9.429 -6.101 -5.179 1.00 0.00 H new ATOM 0 HA SER A 23 -8.578 -7.791 -2.946 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.910 -6.735 -3.198 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.179 -7.842 -4.529 1.00 0.00 H new ATOM 0 HG SER A 23 -10.460 -9.536 -2.872 1.00 0.00 H new ATOM 289 N GLY A 24 -8.438 -8.701 -6.001 1.00 0.00 N ATOM 290 CA GLY A 24 -8.085 -9.786 -6.897 1.00 0.00 C ATOM 291 C GLY A 24 -6.603 -10.103 -6.868 1.00 0.00 C ATOM 292 O GLY A 24 -5.960 -10.194 -7.915 1.00 0.00 O ATOM 0 H GLY A 24 -8.407 -7.772 -6.420 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.649 -10.677 -6.623 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.377 -9.523 -7.914 1.00 0.00 H new ATOM 296 N VAL A 25 -6.059 -10.271 -5.668 1.00 0.00 N ATOM 297 CA VAL A 25 -4.642 -10.579 -5.507 1.00 0.00 C ATOM 298 C VAL A 25 -4.427 -12.072 -5.277 1.00 0.00 C ATOM 299 O VAL A 25 -5.262 -12.743 -4.670 1.00 0.00 O ATOM 300 CB VAL A 25 -4.028 -9.797 -4.330 1.00 0.00 C ATOM 301 CG1 VAL A 25 -2.610 -10.273 -4.056 1.00 0.00 C ATOM 302 CG2 VAL A 25 -4.051 -8.303 -4.616 1.00 0.00 C ATOM 0 H VAL A 25 -6.577 -10.199 -4.792 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.146 -10.281 -6.431 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.627 -9.983 -3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.192 -9.710 -3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.624 -11.334 -3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.996 -10.117 -4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.614 -7.765 -3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.475 -8.096 -5.518 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.081 -7.976 -4.760 1.00 0.00 H new ATOM 312 N ARG A 26 -3.303 -12.584 -5.767 1.00 0.00 N ATOM 313 CA ARG A 26 -2.979 -13.997 -5.617 1.00 0.00 C ATOM 314 C ARG A 26 -1.656 -14.175 -4.877 1.00 0.00 C ATOM 315 O ARG A 26 -0.732 -13.378 -5.037 1.00 0.00 O ATOM 316 CB ARG A 26 -2.904 -14.674 -6.987 1.00 0.00 C ATOM 317 CG ARG A 26 -4.226 -14.675 -7.738 1.00 0.00 C ATOM 318 CD ARG A 26 -4.192 -15.630 -8.921 1.00 0.00 C ATOM 319 NE ARG A 26 -5.481 -15.700 -9.605 1.00 0.00 N ATOM 320 CZ ARG A 26 -5.634 -16.172 -10.837 1.00 0.00 C ATOM 321 NH1 ARG A 26 -4.586 -16.614 -11.517 1.00 0.00 N ATOM 322 NH2 ARG A 26 -6.840 -16.201 -11.391 1.00 0.00 N ATOM 0 H ARG A 26 -2.602 -12.041 -6.271 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.770 -14.465 -5.031 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.152 -14.168 -7.592 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.569 -15.703 -6.857 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.031 -14.961 -7.061 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.448 -13.667 -8.089 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.425 -15.308 -9.625 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.910 -16.625 -8.576 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.309 -15.368 -9.109 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.658 -16.592 -11.094 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.707 -16.976 -12.463 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.649 -15.861 -10.871 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.958 -16.563 -12.337 1.00 0.00 H new ATOM 336 N ALA A 27 -1.574 -15.225 -4.067 1.00 0.00 N ATOM 337 CA ALA A 27 -0.364 -15.509 -3.304 1.00 0.00 C ATOM 338 C ALA A 27 0.808 -15.817 -4.229 1.00 0.00 C ATOM 339 O ALA A 27 0.623 -16.331 -5.332 1.00 0.00 O ATOM 340 CB ALA A 27 -0.604 -16.668 -2.347 1.00 0.00 C ATOM 0 H ALA A 27 -2.331 -15.893 -3.922 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.111 -14.621 -2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.307 -16.869 -1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.407 -16.410 -1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.884 -17.556 -2.914 1.00 0.00 H new ATOM 346 N ARG A 28 2.015 -15.500 -3.771 1.00 0.00 N ATOM 347 CA ARG A 28 3.218 -15.742 -4.559 1.00 0.00 C ATOM 348 C ARG A 28 3.108 -15.090 -5.934 1.00 0.00 C ATOM 349 O ARG A 28 3.471 -15.688 -6.947 1.00 0.00 O ATOM 350 CB ARG A 28 3.459 -17.245 -4.713 1.00 0.00 C ATOM 351 CG ARG A 28 3.531 -17.989 -3.389 1.00 0.00 C ATOM 352 CD ARG A 28 4.119 -19.381 -3.565 1.00 0.00 C ATOM 353 NE ARG A 28 3.390 -20.162 -4.561 1.00 0.00 N ATOM 354 CZ ARG A 28 3.504 -21.479 -4.689 1.00 0.00 C ATOM 355 NH1 ARG A 28 4.312 -22.159 -3.889 1.00 0.00 N ATOM 356 NH2 ARG A 28 2.807 -22.118 -5.620 1.00 0.00 N ATOM 0 H ARG A 28 2.186 -15.075 -2.859 1.00 0.00 H new ATOM 0 HA ARG A 28 4.062 -15.298 -4.032 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.659 -17.673 -5.317 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.389 -17.401 -5.259 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.139 -17.422 -2.684 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.533 -18.066 -2.959 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.164 -19.298 -3.864 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.101 -19.905 -2.610 1.00 0.00 H new ATOM 0 HE ARG A 28 2.759 -19.669 -5.193 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.849 -21.671 -3.172 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.397 -23.170 -3.990 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.184 -21.598 -6.237 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.895 -23.129 -5.718 1.00 0.00 H new ATOM 370 N VAL A 29 2.604 -13.861 -5.962 1.00 0.00 N ATOM 371 CA VAL A 29 2.446 -13.127 -7.212 1.00 0.00 C ATOM 372 C VAL A 29 2.929 -11.687 -7.068 1.00 0.00 C ATOM 373 O VAL A 29 2.821 -11.089 -5.998 1.00 0.00 O ATOM 374 CB VAL A 29 0.978 -13.122 -7.678 1.00 0.00 C ATOM 375 CG1 VAL A 29 0.801 -12.196 -8.872 1.00 0.00 C ATOM 376 CG2 VAL A 29 0.521 -14.533 -8.014 1.00 0.00 C ATOM 0 H VAL A 29 2.298 -13.352 -5.133 1.00 0.00 H new ATOM 0 HA VAL A 29 3.054 -13.638 -7.959 1.00 0.00 H new ATOM 0 HB VAL A 29 0.357 -12.749 -6.864 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.242 -12.205 -9.188 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.087 -11.182 -8.592 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.432 -12.537 -9.693 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.518 -14.511 -8.341 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.144 -14.937 -8.812 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.609 -15.164 -7.130 1.00 0.00 H new ATOM 386 N LEU A 30 3.460 -11.137 -8.154 1.00 0.00 N ATOM 387 CA LEU A 30 3.958 -9.766 -8.151 1.00 0.00 C ATOM 388 C LEU A 30 2.809 -8.769 -8.049 1.00 0.00 C ATOM 389 O LEU A 30 1.993 -8.655 -8.963 1.00 0.00 O ATOM 390 CB LEU A 30 4.773 -9.496 -9.417 1.00 0.00 C ATOM 391 CG LEU A 30 5.456 -8.130 -9.496 1.00 0.00 C ATOM 392 CD1 LEU A 30 6.730 -8.122 -8.666 1.00 0.00 C ATOM 393 CD2 LEU A 30 5.759 -7.768 -10.943 1.00 0.00 C ATOM 0 H LEU A 30 3.557 -11.619 -9.048 1.00 0.00 H new ATOM 0 HA LEU A 30 4.600 -9.641 -7.279 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.538 -10.268 -9.505 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.114 -9.601 -10.279 1.00 0.00 H new ATOM 0 HG LEU A 30 4.776 -7.381 -9.089 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.202 -7.142 -8.734 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.488 -8.336 -7.625 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.415 -8.882 -9.043 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.245 -6.793 -10.980 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.420 -8.519 -11.375 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.830 -7.732 -11.511 1.00 0.00 H new ATOM 405 N GLN A 31 2.754 -8.048 -6.935 1.00 0.00 N ATOM 406 CA GLN A 31 1.705 -7.059 -6.715 1.00 0.00 C ATOM 407 C GLN A 31 2.300 -5.671 -6.510 1.00 0.00 C ATOM 408 O GLN A 31 3.200 -5.485 -5.690 1.00 0.00 O ATOM 409 CB GLN A 31 0.855 -7.447 -5.504 1.00 0.00 C ATOM 410 CG GLN A 31 0.336 -8.874 -5.556 1.00 0.00 C ATOM 411 CD GLN A 31 -0.633 -9.101 -6.700 1.00 0.00 C ATOM 412 OE1 GLN A 31 -1.022 -8.162 -7.395 1.00 0.00 O ATOM 413 NE2 GLN A 31 -1.027 -10.353 -6.902 1.00 0.00 N ATOM 0 H GLN A 31 3.424 -8.130 -6.170 1.00 0.00 H new ATOM 0 HA GLN A 31 1.072 -7.035 -7.602 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.448 -7.318 -4.598 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.009 -6.764 -5.431 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.178 -9.559 -5.656 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.158 -9.112 -4.614 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.679 -11.100 -6.301 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.678 -10.567 -7.658 1.00 0.00 H new ATOM 422 N SER A 32 1.793 -4.698 -7.261 1.00 0.00 N ATOM 423 CA SER A 32 2.278 -3.326 -7.165 1.00 0.00 C ATOM 424 C SER A 32 1.138 -2.331 -7.367 1.00 0.00 C ATOM 425 O SER A 32 0.112 -2.659 -7.963 1.00 0.00 O ATOM 426 CB SER A 32 3.377 -3.077 -8.200 1.00 0.00 C ATOM 427 OG SER A 32 3.997 -1.820 -7.993 1.00 0.00 O ATOM 0 H SER A 32 1.047 -4.835 -7.943 1.00 0.00 H new ATOM 0 HA SER A 32 2.690 -3.182 -6.166 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.124 -3.869 -8.140 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.952 -3.116 -9.203 1.00 0.00 H new ATOM 0 HG SER A 32 4.697 -1.686 -8.666 1.00 0.00 H new ATOM 433 N PHE A 33 1.327 -1.115 -6.866 1.00 0.00 N ATOM 434 CA PHE A 33 0.316 -0.073 -6.990 1.00 0.00 C ATOM 435 C PHE A 33 0.964 1.304 -7.111 1.00 0.00 C ATOM 436 O PHE A 33 2.190 1.428 -7.097 1.00 0.00 O ATOM 437 CB PHE A 33 -0.627 -0.099 -5.785 1.00 0.00 C ATOM 438 CG PHE A 33 0.089 -0.192 -4.467 1.00 0.00 C ATOM 439 CD1 PHE A 33 0.785 -1.338 -4.120 1.00 0.00 C ATOM 440 CD2 PHE A 33 0.064 0.868 -3.574 1.00 0.00 C ATOM 441 CE1 PHE A 33 1.445 -1.426 -2.909 1.00 0.00 C ATOM 442 CE2 PHE A 33 0.721 0.786 -2.362 1.00 0.00 C ATOM 443 CZ PHE A 33 1.412 -0.362 -2.028 1.00 0.00 C ATOM 0 H PHE A 33 2.171 -0.827 -6.371 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.258 -0.267 -7.896 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.240 0.802 -5.794 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.305 -0.947 -5.882 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.812 -2.173 -4.804 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.475 1.768 -3.829 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.986 -2.325 -2.652 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.694 1.619 -1.676 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.926 -0.428 -1.080 1.00 0.00 H new ATOM 453 N THR A 34 0.134 2.335 -7.231 1.00 0.00 N ATOM 454 CA THR A 34 0.626 3.702 -7.356 1.00 0.00 C ATOM 455 C THR A 34 0.115 4.576 -6.218 1.00 0.00 C ATOM 456 O THR A 34 -1.079 4.589 -5.919 1.00 0.00 O ATOM 457 CB THR A 34 0.205 4.329 -8.699 1.00 0.00 C ATOM 458 OG1 THR A 34 0.652 3.507 -9.784 1.00 0.00 O ATOM 459 CG2 THR A 34 0.781 5.729 -8.846 1.00 0.00 C ATOM 0 H THR A 34 -0.882 2.250 -7.244 1.00 0.00 H new ATOM 0 HA THR A 34 1.714 3.652 -7.311 1.00 0.00 H new ATOM 0 HB THR A 34 -0.883 4.397 -8.719 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.379 3.911 -10.634 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.471 6.152 -9.802 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.417 6.359 -8.035 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.869 5.681 -8.807 1.00 0.00 H new ATOM 467 N VAL A 35 1.026 5.307 -5.585 1.00 0.00 N ATOM 468 CA VAL A 35 0.668 6.188 -4.479 1.00 0.00 C ATOM 469 C VAL A 35 0.812 7.653 -4.873 1.00 0.00 C ATOM 470 O VAL A 35 1.925 8.155 -5.038 1.00 0.00 O ATOM 471 CB VAL A 35 1.537 5.913 -3.238 1.00 0.00 C ATOM 472 CG1 VAL A 35 1.127 6.819 -2.087 1.00 0.00 C ATOM 473 CG2 VAL A 35 1.442 4.450 -2.835 1.00 0.00 C ATOM 0 H VAL A 35 2.019 5.307 -5.819 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.374 5.982 -4.236 1.00 0.00 H new ATOM 0 HB VAL A 35 2.575 6.131 -3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.752 6.610 -1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.252 7.861 -2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.083 6.636 -1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.062 4.274 -1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.406 4.203 -2.603 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.789 3.823 -3.656 1.00 0.00 H new ATOM 483 N ASP A 36 -0.318 8.334 -5.023 1.00 0.00 N ATOM 484 CA ASP A 36 -0.317 9.744 -5.397 1.00 0.00 C ATOM 485 C ASP A 36 -0.275 10.634 -4.159 1.00 0.00 C ATOM 486 O ASP A 36 -1.243 10.712 -3.404 1.00 0.00 O ATOM 487 CB ASP A 36 -1.555 10.072 -6.234 1.00 0.00 C ATOM 488 CG ASP A 36 -1.523 11.484 -6.786 1.00 0.00 C ATOM 489 OD1 ASP A 36 -1.848 12.423 -6.031 1.00 0.00 O ATOM 490 OD2 ASP A 36 -1.173 11.649 -7.973 1.00 0.00 O ATOM 0 H ASP A 36 -1.247 7.933 -4.892 1.00 0.00 H new ATOM 0 HA ASP A 36 0.576 9.937 -5.992 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.630 9.364 -7.059 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.448 9.944 -5.622 1.00 0.00 H new ATOM 495 N SER A 37 0.856 11.305 -3.957 1.00 0.00 N ATOM 496 CA SER A 37 1.026 12.185 -2.807 1.00 0.00 C ATOM 497 C SER A 37 1.445 13.583 -3.253 1.00 0.00 C ATOM 498 O SER A 37 2.061 14.330 -2.494 1.00 0.00 O ATOM 499 CB SER A 37 2.070 11.611 -1.848 1.00 0.00 C ATOM 500 OG SER A 37 3.384 11.853 -2.318 1.00 0.00 O ATOM 0 H SER A 37 1.666 11.256 -4.574 1.00 0.00 H new ATOM 0 HA SER A 37 0.069 12.256 -2.290 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.946 12.057 -0.861 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.913 10.538 -1.735 1.00 0.00 H new ATOM 0 HG SER A 37 3.866 12.409 -1.670 1.00 0.00 H new ATOM 506 N SER A 38 1.104 13.931 -4.490 1.00 0.00 N ATOM 507 CA SER A 38 1.447 15.237 -5.040 1.00 0.00 C ATOM 508 C SER A 38 0.642 16.341 -4.360 1.00 0.00 C ATOM 509 O SER A 38 1.127 17.458 -4.178 1.00 0.00 O ATOM 510 CB SER A 38 1.195 15.261 -6.549 1.00 0.00 C ATOM 511 OG SER A 38 -0.185 15.123 -6.837 1.00 0.00 O ATOM 0 H SER A 38 0.590 13.326 -5.130 1.00 0.00 H new ATOM 0 HA SER A 38 2.506 15.416 -4.853 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.565 16.197 -6.968 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.752 14.455 -7.027 1.00 0.00 H new ATOM 0 HG SER A 38 -0.496 14.244 -6.536 1.00 0.00 H new ATOM 517 N LYS A 39 -0.592 16.019 -3.987 1.00 0.00 N ATOM 518 CA LYS A 39 -1.466 16.981 -3.326 1.00 0.00 C ATOM 519 C LYS A 39 -1.233 16.981 -1.818 1.00 0.00 C ATOM 520 O LYS A 39 -1.696 17.875 -1.110 1.00 0.00 O ATOM 521 CB LYS A 39 -2.932 16.658 -3.627 1.00 0.00 C ATOM 522 CG LYS A 39 -3.296 16.790 -5.095 1.00 0.00 C ATOM 523 CD LYS A 39 -3.578 18.236 -5.472 1.00 0.00 C ATOM 524 CE LYS A 39 -4.979 18.656 -5.054 1.00 0.00 C ATOM 525 NZ LYS A 39 -5.356 19.977 -5.631 1.00 0.00 N ATOM 0 H LYS A 39 -1.009 15.100 -4.131 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.232 17.973 -3.712 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.146 15.641 -3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.569 17.322 -3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.482 16.405 -5.709 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.173 16.179 -5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.844 18.887 -4.997 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.465 18.361 -6.549 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.696 17.901 -5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.034 18.705 -3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.317 20.229 -5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.687 20.703 -5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.328 19.923 -6.669 1.00 0.00 H new ATOM 539 N ALA A 40 -0.512 15.975 -1.336 1.00 0.00 N ATOM 540 CA ALA A 40 -0.215 15.863 0.087 1.00 0.00 C ATOM 541 C ALA A 40 0.916 16.803 0.488 1.00 0.00 C ATOM 542 O ALA A 40 0.918 17.355 1.588 1.00 0.00 O ATOM 543 CB ALA A 40 0.140 14.426 0.440 1.00 0.00 C ATOM 0 H ALA A 40 -0.123 15.226 -1.909 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.107 16.153 0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.359 14.357 1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.700 13.774 0.199 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.015 14.116 -0.132 1.00 0.00 H new ATOM 549 N GLY A 41 1.878 16.982 -0.412 1.00 0.00 N ATOM 550 CA GLY A 41 3.003 17.855 -0.133 1.00 0.00 C ATOM 551 C GLY A 41 4.329 17.239 -0.529 1.00 0.00 C ATOM 552 O GLY A 41 4.440 16.609 -1.582 1.00 0.00 O ATOM 0 H GLY A 41 1.898 16.538 -1.330 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.870 18.796 -0.667 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.020 18.092 0.931 1.00 0.00 H new ATOM 556 N LEU A 42 5.339 17.420 0.315 1.00 0.00 N ATOM 557 CA LEU A 42 6.667 16.877 0.046 1.00 0.00 C ATOM 558 C LEU A 42 7.104 15.933 1.162 1.00 0.00 C ATOM 559 O LEU A 42 8.291 15.648 1.316 1.00 0.00 O ATOM 560 CB LEU A 42 7.682 18.010 -0.105 1.00 0.00 C ATOM 561 CG LEU A 42 7.737 19.020 1.043 1.00 0.00 C ATOM 562 CD1 LEU A 42 6.690 20.105 0.851 1.00 0.00 C ATOM 563 CD2 LEU A 42 7.542 18.318 2.379 1.00 0.00 C ATOM 0 H LEU A 42 5.264 17.938 1.191 1.00 0.00 H new ATOM 0 HA LEU A 42 6.621 16.313 -0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.672 17.570 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.460 18.549 -1.026 1.00 0.00 H new ATOM 0 HG LEU A 42 8.720 19.490 1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.745 20.814 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.875 20.627 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.698 19.653 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.584 19.051 3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.572 17.821 2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.330 17.578 2.520 1.00 0.00 H new ATOM 575 N ALA A 43 6.137 15.448 1.934 1.00 0.00 N ATOM 576 CA ALA A 43 6.422 14.533 3.031 1.00 0.00 C ATOM 577 C ALA A 43 6.674 13.120 2.516 1.00 0.00 C ATOM 578 O ALA A 43 6.163 12.713 1.473 1.00 0.00 O ATOM 579 CB ALA A 43 5.276 14.535 4.032 1.00 0.00 C ATOM 0 H ALA A 43 5.149 15.674 1.819 1.00 0.00 H new ATOM 0 HA ALA A 43 7.327 14.876 3.531 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.503 13.847 4.846 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.145 15.540 4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.358 14.220 3.535 1.00 0.00 H new ATOM 585 N PRO A 44 7.482 12.352 3.263 1.00 0.00 N ATOM 586 CA PRO A 44 7.820 10.973 2.900 1.00 0.00 C ATOM 587 C PRO A 44 6.631 10.029 3.040 1.00 0.00 C ATOM 588 O PRO A 44 5.613 10.380 3.639 1.00 0.00 O ATOM 589 CB PRO A 44 8.918 10.602 3.901 1.00 0.00 C ATOM 590 CG PRO A 44 8.675 11.487 5.075 1.00 0.00 C ATOM 591 CD PRO A 44 8.127 12.772 4.519 1.00 0.00 C ATOM 0 HA PRO A 44 8.128 10.890 1.858 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.861 9.550 4.180 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.910 10.766 3.480 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.970 11.030 5.769 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.597 11.663 5.628 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.414 13.234 5.202 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.917 13.502 4.341 1.00 0.00 H new ATOM 599 N LEU A 45 6.766 8.828 2.488 1.00 0.00 N ATOM 600 CA LEU A 45 5.702 7.832 2.551 1.00 0.00 C ATOM 601 C LEU A 45 6.215 6.524 3.146 1.00 0.00 C ATOM 602 O LEU A 45 7.299 6.056 2.797 1.00 0.00 O ATOM 603 CB LEU A 45 5.129 7.580 1.156 1.00 0.00 C ATOM 604 CG LEU A 45 4.235 6.347 1.010 1.00 0.00 C ATOM 605 CD1 LEU A 45 2.800 6.680 1.388 1.00 0.00 C ATOM 606 CD2 LEU A 45 4.303 5.805 -0.410 1.00 0.00 C ATOM 0 H LEU A 45 7.602 8.520 1.992 1.00 0.00 H new ATOM 0 HA LEU A 45 4.914 8.219 3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.556 8.457 0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.959 7.487 0.455 1.00 0.00 H new ATOM 0 HG LEU A 45 4.598 5.576 1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.179 5.791 1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.766 7.020 2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.425 7.468 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.661 4.928 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.966 6.571 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.331 5.527 -0.644 1.00 0.00 H new ATOM 618 N GLU A 46 5.429 5.941 4.044 1.00 0.00 N ATOM 619 CA GLU A 46 5.805 4.686 4.687 1.00 0.00 C ATOM 620 C GLU A 46 4.763 3.604 4.417 1.00 0.00 C ATOM 621 O GLU A 46 3.578 3.894 4.257 1.00 0.00 O ATOM 622 CB GLU A 46 5.967 4.888 6.195 1.00 0.00 C ATOM 623 CG GLU A 46 6.909 3.888 6.844 1.00 0.00 C ATOM 624 CD GLU A 46 8.333 4.012 6.337 1.00 0.00 C ATOM 625 OE1 GLU A 46 8.855 5.146 6.309 1.00 0.00 O ATOM 626 OE2 GLU A 46 8.923 2.977 5.967 1.00 0.00 O ATOM 0 H GLU A 46 4.529 6.316 4.343 1.00 0.00 H new ATOM 0 HA GLU A 46 6.757 4.363 4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.337 5.896 6.381 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.989 4.815 6.670 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.898 4.033 7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.547 2.878 6.654 1.00 0.00 H new ATOM 633 N VAL A 47 5.215 2.355 4.366 1.00 0.00 N ATOM 634 CA VAL A 47 4.325 1.229 4.117 1.00 0.00 C ATOM 635 C VAL A 47 4.707 0.025 4.971 1.00 0.00 C ATOM 636 O VAL A 47 5.876 -0.163 5.309 1.00 0.00 O ATOM 637 CB VAL A 47 4.341 0.817 2.632 1.00 0.00 C ATOM 638 CG1 VAL A 47 3.405 -0.357 2.392 1.00 0.00 C ATOM 639 CG2 VAL A 47 3.967 1.997 1.749 1.00 0.00 C ATOM 0 H VAL A 47 6.194 2.098 4.494 1.00 0.00 H new ATOM 0 HA VAL A 47 3.320 1.556 4.385 1.00 0.00 H new ATOM 0 HB VAL A 47 5.352 0.503 2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.430 -0.633 1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.724 -1.206 2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.389 -0.075 2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.983 1.689 0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.967 2.344 2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.682 2.806 1.900 1.00 0.00 H new ATOM 649 N ARG A 48 3.714 -0.789 5.316 1.00 0.00 N ATOM 650 CA ARG A 48 3.947 -1.975 6.131 1.00 0.00 C ATOM 651 C ARG A 48 2.962 -3.084 5.772 1.00 0.00 C ATOM 652 O ARG A 48 1.768 -2.836 5.600 1.00 0.00 O ATOM 653 CB ARG A 48 3.824 -1.631 7.617 1.00 0.00 C ATOM 654 CG ARG A 48 5.110 -1.097 8.226 1.00 0.00 C ATOM 655 CD ARG A 48 5.960 -2.217 8.804 1.00 0.00 C ATOM 656 NE ARG A 48 5.282 -2.911 9.895 1.00 0.00 N ATOM 657 CZ ARG A 48 5.907 -3.691 10.770 1.00 0.00 C ATOM 658 NH1 ARG A 48 7.217 -3.875 10.683 1.00 0.00 N ATOM 659 NH2 ARG A 48 5.221 -4.289 11.736 1.00 0.00 N ATOM 0 H ARG A 48 2.741 -0.649 5.044 1.00 0.00 H new ATOM 0 HA ARG A 48 4.957 -2.331 5.929 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.036 -0.889 7.746 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.516 -2.522 8.163 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.679 -0.562 7.466 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.871 -0.378 9.010 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.204 -2.930 8.017 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.903 -1.807 9.166 1.00 0.00 H new ATOM 0 HE ARG A 48 4.274 -2.790 9.991 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.748 -3.417 9.942 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.694 -4.475 11.357 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.213 -4.150 11.807 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.702 -4.888 12.407 1.00 0.00 H new ATOM 673 N VAL A 49 3.470 -4.306 5.659 1.00 0.00 N ATOM 674 CA VAL A 49 2.635 -5.453 5.321 1.00 0.00 C ATOM 675 C VAL A 49 2.608 -6.468 6.458 1.00 0.00 C ATOM 676 O VAL A 49 3.653 -6.935 6.913 1.00 0.00 O ATOM 677 CB VAL A 49 3.130 -6.149 4.039 1.00 0.00 C ATOM 678 CG1 VAL A 49 2.314 -7.402 3.762 1.00 0.00 C ATOM 679 CG2 VAL A 49 3.072 -5.193 2.857 1.00 0.00 C ATOM 0 H VAL A 49 4.456 -4.528 5.796 1.00 0.00 H new ATOM 0 HA VAL A 49 1.627 -5.072 5.154 1.00 0.00 H new ATOM 0 HB VAL A 49 4.168 -6.446 4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.678 -7.880 2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.412 -8.093 4.599 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.265 -7.133 3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.425 -5.702 1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.044 -4.863 2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.705 -4.328 3.057 1.00 0.00 H new ATOM 689 N LEU A 50 1.406 -6.804 6.915 1.00 0.00 N ATOM 690 CA LEU A 50 1.241 -7.764 8.001 1.00 0.00 C ATOM 691 C LEU A 50 0.338 -8.917 7.575 1.00 0.00 C ATOM 692 O LEU A 50 -0.723 -8.703 6.990 1.00 0.00 O ATOM 693 CB LEU A 50 0.659 -7.073 9.234 1.00 0.00 C ATOM 694 CG LEU A 50 1.661 -6.343 10.130 1.00 0.00 C ATOM 695 CD1 LEU A 50 2.062 -5.014 9.508 1.00 0.00 C ATOM 696 CD2 LEU A 50 1.077 -6.128 11.519 1.00 0.00 C ATOM 0 H LEU A 50 0.532 -6.426 6.550 1.00 0.00 H new ATOM 0 HA LEU A 50 2.222 -8.168 8.249 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.092 -6.356 8.903 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.142 -7.821 9.835 1.00 0.00 H new ATOM 0 HG LEU A 50 2.553 -6.962 10.224 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.775 -4.508 10.159 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.521 -5.191 8.535 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.178 -4.389 9.384 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.804 -5.607 12.143 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.169 -5.530 11.443 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.839 -7.093 11.967 1.00 0.00 H new ATOM 708 N GLY A 51 0.765 -10.139 7.875 1.00 0.00 N ATOM 709 CA GLY A 51 -0.018 -11.308 7.519 1.00 0.00 C ATOM 710 C GLY A 51 -1.190 -11.528 8.455 1.00 0.00 C ATOM 711 O GLY A 51 -1.411 -10.767 9.397 1.00 0.00 O ATOM 0 H GLY A 51 1.640 -10.341 8.359 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.387 -11.197 6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.624 -12.189 7.532 1.00 0.00 H new ATOM 715 N PRO A 52 -1.966 -12.592 8.198 1.00 0.00 N ATOM 716 CA PRO A 52 -3.135 -12.934 9.013 1.00 0.00 C ATOM 717 C PRO A 52 -2.748 -13.429 10.403 1.00 0.00 C ATOM 718 O PRO A 52 -3.335 -13.019 11.403 1.00 0.00 O ATOM 719 CB PRO A 52 -3.810 -14.053 8.215 1.00 0.00 C ATOM 720 CG PRO A 52 -2.710 -14.663 7.416 1.00 0.00 C ATOM 721 CD PRO A 52 -1.762 -13.542 7.092 1.00 0.00 C ATOM 0 HA PRO A 52 -3.777 -12.070 9.187 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.274 -14.786 8.875 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.597 -13.661 7.571 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.207 -15.448 7.980 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.097 -15.122 6.506 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.730 -13.889 7.046 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.990 -13.090 6.127 1.00 0.00 H new ATOM 729 N ARG A 53 -1.757 -14.313 10.455 1.00 0.00 N ATOM 730 CA ARG A 53 -1.291 -14.865 11.722 1.00 0.00 C ATOM 731 C ARG A 53 -0.433 -13.852 12.474 1.00 0.00 C ATOM 732 O ARG A 53 -0.466 -13.785 13.702 1.00 0.00 O ATOM 733 CB ARG A 53 -0.494 -16.147 11.482 1.00 0.00 C ATOM 734 CG ARG A 53 -1.131 -17.080 10.466 1.00 0.00 C ATOM 735 CD ARG A 53 -0.498 -16.925 9.092 1.00 0.00 C ATOM 736 NE ARG A 53 0.625 -17.838 8.901 1.00 0.00 N ATOM 737 CZ ARG A 53 0.487 -19.107 8.533 1.00 0.00 C ATOM 738 NH1 ARG A 53 -0.722 -19.609 8.318 1.00 0.00 N ATOM 739 NH2 ARG A 53 1.557 -19.875 8.379 1.00 0.00 N ATOM 0 H ARG A 53 -1.261 -14.662 9.635 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.165 -15.098 12.331 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.508 -15.884 11.142 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.381 -16.677 12.428 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.026 -18.112 10.802 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.199 -16.874 10.401 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.249 -17.109 8.324 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.156 -15.898 8.964 1.00 0.00 H new ATOM 0 HE ARG A 53 1.568 -17.482 9.059 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.547 -19.020 8.435 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.827 -20.583 8.035 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.488 -19.492 8.543 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.449 -20.849 8.096 1.00 0.00 H new ATOM 753 N GLY A 54 0.335 -13.065 11.727 1.00 0.00 N ATOM 754 CA GLY A 54 1.192 -12.066 12.340 1.00 0.00 C ATOM 755 C GLY A 54 2.571 -12.022 11.713 1.00 0.00 C ATOM 756 O GLY A 54 3.558 -11.722 12.385 1.00 0.00 O ATOM 0 H GLY A 54 0.379 -13.101 10.709 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.724 -11.086 12.250 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.287 -12.277 13.405 1.00 0.00 H new ATOM 760 N LEU A 55 2.641 -12.324 10.420 1.00 0.00 N ATOM 761 CA LEU A 55 3.911 -12.318 9.701 1.00 0.00 C ATOM 762 C LEU A 55 4.246 -10.917 9.201 1.00 0.00 C ATOM 763 O LEU A 55 3.356 -10.109 8.942 1.00 0.00 O ATOM 764 CB LEU A 55 3.857 -13.294 8.525 1.00 0.00 C ATOM 765 CG LEU A 55 4.955 -13.137 7.472 1.00 0.00 C ATOM 766 CD1 LEU A 55 6.253 -13.764 7.959 1.00 0.00 C ATOM 767 CD2 LEU A 55 4.522 -13.761 6.153 1.00 0.00 C ATOM 0 H LEU A 55 1.834 -12.576 9.849 1.00 0.00 H new ATOM 0 HA LEU A 55 4.694 -12.634 10.391 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.902 -14.309 8.919 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.891 -13.185 8.033 1.00 0.00 H new ATOM 0 HG LEU A 55 5.127 -12.073 7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.024 -13.643 7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.572 -13.273 8.879 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.095 -14.825 8.150 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.315 -13.640 5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.323 -14.822 6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.617 -13.268 5.797 1.00 0.00 H new ATOM 779 N VAL A 56 5.539 -10.637 9.063 1.00 0.00 N ATOM 780 CA VAL A 56 5.993 -9.336 8.590 1.00 0.00 C ATOM 781 C VAL A 56 6.789 -9.469 7.296 1.00 0.00 C ATOM 782 O VAL A 56 7.793 -10.178 7.245 1.00 0.00 O ATOM 783 CB VAL A 56 6.864 -8.627 9.645 1.00 0.00 C ATOM 784 CG1 VAL A 56 7.353 -7.286 9.121 1.00 0.00 C ATOM 785 CG2 VAL A 56 6.090 -8.453 10.944 1.00 0.00 C ATOM 0 H VAL A 56 6.290 -11.295 9.272 1.00 0.00 H new ATOM 0 HA VAL A 56 5.101 -8.738 8.405 1.00 0.00 H new ATOM 0 HB VAL A 56 7.736 -9.249 9.849 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.966 -6.800 9.880 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.947 -7.442 8.220 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.497 -6.653 8.887 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.720 -7.951 11.678 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.199 -7.853 10.759 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.796 -9.431 11.326 1.00 0.00 H new ATOM 795 N GLU A 57 6.333 -8.781 6.254 1.00 0.00 N ATOM 796 CA GLU A 57 7.003 -8.822 4.960 1.00 0.00 C ATOM 797 C GLU A 57 7.458 -7.428 4.536 1.00 0.00 C ATOM 798 O GLU A 57 6.778 -6.429 4.771 1.00 0.00 O ATOM 799 CB GLU A 57 6.074 -9.413 3.898 1.00 0.00 C ATOM 800 CG GLU A 57 5.598 -10.819 4.220 1.00 0.00 C ATOM 801 CD GLU A 57 6.622 -11.878 3.858 1.00 0.00 C ATOM 802 OE1 GLU A 57 7.831 -11.608 4.005 1.00 0.00 O ATOM 803 OE2 GLU A 57 6.213 -12.977 3.429 1.00 0.00 O ATOM 0 H GLU A 57 5.503 -8.189 6.281 1.00 0.00 H new ATOM 0 HA GLU A 57 7.883 -9.457 5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.207 -8.762 3.783 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.593 -9.425 2.939 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.371 -10.887 5.284 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.671 -11.017 3.683 1.00 0.00 H new ATOM 810 N PRO A 58 8.636 -7.358 3.899 1.00 0.00 N ATOM 811 CA PRO A 58 9.207 -6.092 3.430 1.00 0.00 C ATOM 812 C PRO A 58 8.427 -5.503 2.259 1.00 0.00 C ATOM 813 O PRO A 58 7.566 -6.164 1.679 1.00 0.00 O ATOM 814 CB PRO A 58 10.620 -6.483 2.988 1.00 0.00 C ATOM 815 CG PRO A 58 10.523 -7.931 2.649 1.00 0.00 C ATOM 816 CD PRO A 58 9.499 -8.509 3.587 1.00 0.00 C ATOM 0 HA PRO A 58 9.184 -5.323 4.202 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.943 -5.896 2.128 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.346 -6.310 3.783 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.223 -8.069 1.610 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.487 -8.426 2.771 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.937 -9.318 3.120 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.962 -8.919 4.484 1.00 0.00 H new ATOM 824 N VAL A 59 8.734 -4.255 1.919 1.00 0.00 N ATOM 825 CA VAL A 59 8.062 -3.577 0.816 1.00 0.00 C ATOM 826 C VAL A 59 9.054 -2.780 -0.024 1.00 0.00 C ATOM 827 O VAL A 59 10.199 -2.576 0.375 1.00 0.00 O ATOM 828 CB VAL A 59 6.962 -2.629 1.328 1.00 0.00 C ATOM 829 CG1 VAL A 59 5.837 -3.418 1.979 1.00 0.00 C ATOM 830 CG2 VAL A 59 7.543 -1.613 2.300 1.00 0.00 C ATOM 0 H VAL A 59 9.443 -3.693 2.391 1.00 0.00 H new ATOM 0 HA VAL A 59 7.606 -4.351 0.198 1.00 0.00 H new ATOM 0 HB VAL A 59 6.549 -2.088 0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.069 -2.731 2.335 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.403 -4.102 1.250 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.232 -3.988 2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.751 -0.952 2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.985 -2.134 3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.310 -1.025 1.796 1.00 0.00 H new ATOM 840 N ASN A 60 8.605 -2.331 -1.192 1.00 0.00 N ATOM 841 CA ASN A 60 9.453 -1.556 -2.091 1.00 0.00 C ATOM 842 C ASN A 60 8.931 -0.130 -2.236 1.00 0.00 C ATOM 843 O ASN A 60 7.723 0.097 -2.306 1.00 0.00 O ATOM 844 CB ASN A 60 9.524 -2.227 -3.463 1.00 0.00 C ATOM 845 CG ASN A 60 10.281 -1.391 -4.478 1.00 0.00 C ATOM 846 OD1 ASN A 60 11.507 -1.465 -4.567 1.00 0.00 O ATOM 847 ND2 ASN A 60 9.554 -0.591 -5.246 1.00 0.00 N ATOM 0 H ASN A 60 7.659 -2.491 -1.538 1.00 0.00 H new ATOM 0 HA ASN A 60 10.454 -1.516 -1.662 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.007 -3.199 -3.364 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.513 -2.409 -3.828 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.009 -0.004 -5.946 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.540 -0.562 -5.137 1.00 0.00 H new ATOM 854 N VAL A 61 9.851 0.829 -2.280 1.00 0.00 N ATOM 855 CA VAL A 61 9.485 2.233 -2.419 1.00 0.00 C ATOM 856 C VAL A 61 10.335 2.921 -3.482 1.00 0.00 C ATOM 857 O VAL A 61 11.549 3.058 -3.327 1.00 0.00 O ATOM 858 CB VAL A 61 9.640 2.989 -1.085 1.00 0.00 C ATOM 859 CG1 VAL A 61 9.327 4.465 -1.268 1.00 0.00 C ATOM 860 CG2 VAL A 61 8.746 2.373 -0.019 1.00 0.00 C ATOM 0 H VAL A 61 10.855 0.659 -2.221 1.00 0.00 H new ATOM 0 HA VAL A 61 8.439 2.258 -2.723 1.00 0.00 H new ATOM 0 HB VAL A 61 10.675 2.901 -0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.442 4.982 -0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.012 4.894 -1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 61 8.302 4.579 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.867 2.918 0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.706 2.429 -0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.024 1.330 0.130 1.00 0.00 H new ATOM 870 N VAL A 62 9.689 3.352 -4.561 1.00 0.00 N ATOM 871 CA VAL A 62 10.386 4.028 -5.649 1.00 0.00 C ATOM 872 C VAL A 62 9.558 5.185 -6.197 1.00 0.00 C ATOM 873 O VAL A 62 8.461 4.984 -6.718 1.00 0.00 O ATOM 874 CB VAL A 62 10.711 3.054 -6.796 1.00 0.00 C ATOM 875 CG1 VAL A 62 11.399 3.786 -7.939 1.00 0.00 C ATOM 876 CG2 VAL A 62 11.571 1.905 -6.293 1.00 0.00 C ATOM 0 H VAL A 62 8.685 3.245 -4.705 1.00 0.00 H new ATOM 0 HA VAL A 62 11.317 4.416 -5.237 1.00 0.00 H new ATOM 0 HB VAL A 62 9.776 2.639 -7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 62 11.621 3.082 -8.741 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.743 4.570 -8.316 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.327 4.231 -7.580 1.00 0.00 H new ATOM 0 HG21 VAL A 62 11.791 1.227 -7.118 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.504 2.298 -5.889 1.00 0.00 H new ATOM 0 HG23 VAL A 62 11.036 1.365 -5.512 1.00 0.00 H new ATOM 886 N ASP A 63 10.090 6.395 -6.076 1.00 0.00 N ATOM 887 CA ASP A 63 9.403 7.585 -6.561 1.00 0.00 C ATOM 888 C ASP A 63 9.447 7.657 -8.084 1.00 0.00 C ATOM 889 O ASP A 63 10.467 7.351 -8.700 1.00 0.00 O ATOM 890 CB ASP A 63 10.030 8.844 -5.961 1.00 0.00 C ATOM 891 CG ASP A 63 9.474 10.116 -6.571 1.00 0.00 C ATOM 892 OD1 ASP A 63 8.426 10.597 -6.089 1.00 0.00 O ATOM 893 OD2 ASP A 63 10.087 10.631 -7.529 1.00 0.00 O ATOM 0 H ASP A 63 10.996 6.578 -5.645 1.00 0.00 H new ATOM 0 HA ASP A 63 8.361 7.523 -6.248 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.857 8.855 -4.885 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.109 8.815 -6.110 1.00 0.00 H new ATOM 898 N ASN A 64 8.333 8.062 -8.686 1.00 0.00 N ATOM 899 CA ASN A 64 8.245 8.172 -10.138 1.00 0.00 C ATOM 900 C ASN A 64 8.924 9.446 -10.629 1.00 0.00 C ATOM 901 O ASN A 64 9.683 9.424 -11.597 1.00 0.00 O ATOM 902 CB ASN A 64 6.782 8.155 -10.583 1.00 0.00 C ATOM 903 CG ASN A 64 6.100 6.834 -10.285 1.00 0.00 C ATOM 904 OD1 ASN A 64 5.848 6.035 -11.187 1.00 0.00 O ATOM 905 ND2 ASN A 64 5.799 6.598 -9.014 1.00 0.00 N ATOM 0 H ASN A 64 7.479 8.319 -8.191 1.00 0.00 H new ATOM 0 HA ASN A 64 8.760 7.316 -10.575 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.244 8.959 -10.082 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.729 8.354 -11.653 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.340 5.726 -8.752 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.027 7.289 -8.299 1.00 0.00 H new ATOM 912 N GLY A 65 8.645 10.557 -9.954 1.00 0.00 N ATOM 913 CA GLY A 65 9.238 11.826 -10.337 1.00 0.00 C ATOM 914 C GLY A 65 8.202 12.837 -10.785 1.00 0.00 C ATOM 915 O GLY A 65 8.458 14.041 -10.783 1.00 0.00 O ATOM 0 H GLY A 65 8.020 10.601 -9.149 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.797 12.232 -9.494 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.953 11.661 -11.143 1.00 0.00 H new ATOM 919 N ASP A 66 7.029 12.347 -11.174 1.00 0.00 N ATOM 920 CA ASP A 66 5.951 13.217 -11.630 1.00 0.00 C ATOM 921 C ASP A 66 5.066 13.641 -10.462 1.00 0.00 C ATOM 922 O ASP A 66 4.616 14.785 -10.393 1.00 0.00 O ATOM 923 CB ASP A 66 5.110 12.509 -12.692 1.00 0.00 C ATOM 924 CG ASP A 66 5.773 12.518 -14.056 1.00 0.00 C ATOM 925 OD1 ASP A 66 6.780 11.800 -14.231 1.00 0.00 O ATOM 926 OD2 ASP A 66 5.284 13.242 -14.948 1.00 0.00 O ATOM 0 H ASP A 66 6.801 11.353 -11.183 1.00 0.00 H new ATOM 0 HA ASP A 66 6.398 14.110 -12.068 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.933 11.479 -12.384 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.136 12.993 -12.762 1.00 0.00 H new ATOM 931 N GLY A 67 4.816 12.711 -9.545 1.00 0.00 N ATOM 932 CA GLY A 67 3.985 13.007 -8.394 1.00 0.00 C ATOM 933 C GLY A 67 3.360 11.763 -7.795 1.00 0.00 C ATOM 934 O GLY A 67 2.229 11.799 -7.308 1.00 0.00 O ATOM 0 H GLY A 67 5.175 11.757 -9.580 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.586 13.509 -7.636 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.197 13.701 -8.687 1.00 0.00 H new ATOM 938 N THR A 68 4.096 10.657 -7.831 1.00 0.00 N ATOM 939 CA THR A 68 3.605 9.395 -7.290 1.00 0.00 C ATOM 940 C THR A 68 4.760 8.502 -6.846 1.00 0.00 C ATOM 941 O THR A 68 5.928 8.854 -7.009 1.00 0.00 O ATOM 942 CB THR A 68 2.751 8.635 -8.322 1.00 0.00 C ATOM 943 OG1 THR A 68 3.555 8.271 -9.451 1.00 0.00 O ATOM 944 CG2 THR A 68 1.576 9.485 -8.782 1.00 0.00 C ATOM 0 H THR A 68 5.034 10.609 -8.229 1.00 0.00 H new ATOM 0 HA THR A 68 2.985 9.640 -6.428 1.00 0.00 H new ATOM 0 HB THR A 68 2.363 7.734 -7.848 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.005 7.787 -10.102 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.987 8.928 -9.511 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.951 9.736 -7.925 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.947 10.402 -9.240 1.00 0.00 H new ATOM 952 N HIS A 69 4.424 7.345 -6.286 1.00 0.00 N ATOM 953 CA HIS A 69 5.433 6.400 -5.819 1.00 0.00 C ATOM 954 C HIS A 69 4.973 4.962 -6.037 1.00 0.00 C ATOM 955 O HIS A 69 3.855 4.595 -5.674 1.00 0.00 O ATOM 956 CB HIS A 69 5.734 6.633 -4.338 1.00 0.00 C ATOM 957 CG HIS A 69 6.046 8.059 -4.007 1.00 0.00 C ATOM 958 ND1 HIS A 69 7.307 8.491 -3.653 1.00 0.00 N ATOM 959 CD2 HIS A 69 5.254 9.157 -3.982 1.00 0.00 C ATOM 960 CE1 HIS A 69 7.276 9.791 -3.420 1.00 0.00 C ATOM 961 NE2 HIS A 69 6.041 10.219 -3.613 1.00 0.00 N ATOM 0 H HIS A 69 3.461 7.039 -6.144 1.00 0.00 H new ATOM 0 HA HIS A 69 6.343 6.563 -6.397 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.877 6.311 -3.747 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.577 6.008 -4.044 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.199 9.191 -4.210 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.117 10.400 -3.122 1.00 0.00 H new ATOM 0 HE2 HIS A 69 5.724 11.182 -3.505 1.00 0.00 H new ATOM 970 N THR A 70 5.842 4.152 -6.634 1.00 0.00 N ATOM 971 CA THR A 70 5.524 2.754 -6.902 1.00 0.00 C ATOM 972 C THR A 70 5.903 1.868 -5.721 1.00 0.00 C ATOM 973 O THR A 70 6.937 2.072 -5.085 1.00 0.00 O ATOM 974 CB THR A 70 6.248 2.247 -8.163 1.00 0.00 C ATOM 975 OG1 THR A 70 5.806 2.982 -9.310 1.00 0.00 O ATOM 976 CG2 THR A 70 5.987 0.763 -8.375 1.00 0.00 C ATOM 0 H THR A 70 6.771 4.440 -6.941 1.00 0.00 H new ATOM 0 HA THR A 70 4.447 2.699 -7.063 1.00 0.00 H new ATOM 0 HB THR A 70 7.319 2.397 -8.026 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.272 2.655 -10.108 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.508 0.426 -9.271 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.349 0.203 -7.513 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.917 0.595 -8.493 1.00 0.00 H new ATOM 984 N VAL A 71 5.060 0.882 -5.432 1.00 0.00 N ATOM 985 CA VAL A 71 5.308 -0.038 -4.328 1.00 0.00 C ATOM 986 C VAL A 71 5.095 -1.484 -4.759 1.00 0.00 C ATOM 987 O VAL A 71 3.960 -1.950 -4.875 1.00 0.00 O ATOM 988 CB VAL A 71 4.393 0.268 -3.128 1.00 0.00 C ATOM 989 CG1 VAL A 71 4.715 -0.656 -1.962 1.00 0.00 C ATOM 990 CG2 VAL A 71 4.527 1.726 -2.714 1.00 0.00 C ATOM 0 H VAL A 71 4.199 0.700 -5.947 1.00 0.00 H new ATOM 0 HA VAL A 71 6.347 0.099 -4.029 1.00 0.00 H new ATOM 0 HB VAL A 71 3.360 0.092 -3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.059 -0.425 -1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.565 -1.692 -2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.753 -0.513 -1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.873 1.925 -1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.560 1.931 -2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.244 2.368 -3.548 1.00 0.00 H new ATOM 1000 N THR A 72 6.194 -2.193 -4.998 1.00 0.00 N ATOM 1001 CA THR A 72 6.129 -3.587 -5.418 1.00 0.00 C ATOM 1002 C THR A 72 6.261 -4.527 -4.224 1.00 0.00 C ATOM 1003 O THR A 72 7.005 -4.251 -3.283 1.00 0.00 O ATOM 1004 CB THR A 72 7.231 -3.918 -6.441 1.00 0.00 C ATOM 1005 OG1 THR A 72 8.515 -3.577 -5.907 1.00 0.00 O ATOM 1006 CG2 THR A 72 7.002 -3.168 -7.744 1.00 0.00 C ATOM 0 H THR A 72 7.141 -1.824 -4.908 1.00 0.00 H new ATOM 0 HA THR A 72 5.155 -3.731 -5.886 1.00 0.00 H new ATOM 0 HB THR A 72 7.197 -4.988 -6.645 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.210 -3.792 -6.564 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.793 -3.418 -8.451 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.037 -3.453 -8.163 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.012 -2.095 -7.553 1.00 0.00 H new ATOM 1014 N TYR A 73 5.535 -5.639 -4.270 1.00 0.00 N ATOM 1015 CA TYR A 73 5.569 -6.619 -3.192 1.00 0.00 C ATOM 1016 C TYR A 73 4.994 -7.956 -3.651 1.00 0.00 C ATOM 1017 O TYR A 73 4.498 -8.080 -4.771 1.00 0.00 O ATOM 1018 CB TYR A 73 4.789 -6.104 -1.980 1.00 0.00 C ATOM 1019 CG TYR A 73 3.307 -6.390 -2.049 1.00 0.00 C ATOM 1020 CD1 TYR A 73 2.784 -7.577 -1.548 1.00 0.00 C ATOM 1021 CD2 TYR A 73 2.428 -5.474 -2.612 1.00 0.00 C ATOM 1022 CE1 TYR A 73 1.430 -7.842 -1.610 1.00 0.00 C ATOM 1023 CE2 TYR A 73 1.071 -5.730 -2.677 1.00 0.00 C ATOM 1024 CZ TYR A 73 0.578 -6.917 -2.175 1.00 0.00 C ATOM 1025 OH TYR A 73 -0.772 -7.177 -2.236 1.00 0.00 O ATOM 0 H TYR A 73 4.916 -5.884 -5.043 1.00 0.00 H new ATOM 0 HA TYR A 73 6.610 -6.771 -2.907 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.197 -6.558 -1.077 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.939 -5.028 -1.892 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.448 -8.304 -1.103 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.812 -4.545 -3.006 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.040 -8.770 -1.218 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.402 -5.006 -3.118 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.210 -6.502 -2.795 1.00 0.00 H new ATOM 1035 N THR A 74 5.061 -8.954 -2.775 1.00 0.00 N ATOM 1036 CA THR A 74 4.547 -10.281 -3.089 1.00 0.00 C ATOM 1037 C THR A 74 4.101 -11.010 -1.827 1.00 0.00 C ATOM 1038 O THR A 74 4.896 -11.299 -0.933 1.00 0.00 O ATOM 1039 CB THR A 74 5.605 -11.136 -3.815 1.00 0.00 C ATOM 1040 OG1 THR A 74 6.030 -10.475 -5.012 1.00 0.00 O ATOM 1041 CG2 THR A 74 5.048 -12.509 -4.157 1.00 0.00 C ATOM 0 H THR A 74 5.466 -8.868 -1.843 1.00 0.00 H new ATOM 0 HA THR A 74 3.689 -10.141 -3.747 1.00 0.00 H new ATOM 0 HB THR A 74 6.458 -11.264 -3.149 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.703 -11.023 -5.467 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.812 -13.094 -4.669 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.752 -13.020 -3.241 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.180 -12.398 -4.807 1.00 0.00 H new ATOM 1049 N PRO A 75 2.797 -11.316 -1.751 1.00 0.00 N ATOM 1050 CA PRO A 75 2.214 -12.017 -0.602 1.00 0.00 C ATOM 1051 C PRO A 75 2.661 -13.472 -0.524 1.00 0.00 C ATOM 1052 O PRO A 75 2.049 -14.354 -1.128 1.00 0.00 O ATOM 1053 CB PRO A 75 0.709 -11.934 -0.862 1.00 0.00 C ATOM 1054 CG PRO A 75 0.586 -11.788 -2.339 1.00 0.00 C ATOM 1055 CD PRO A 75 1.791 -11.003 -2.779 1.00 0.00 C ATOM 0 HA PRO A 75 2.522 -11.574 0.345 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.197 -12.829 -0.509 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.264 -11.086 -0.342 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.556 -12.763 -2.826 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.336 -11.270 -2.605 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.125 -11.303 -3.772 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.580 -9.934 -2.823 1.00 0.00 H new ATOM 1063 N SER A 76 3.731 -13.719 0.225 1.00 0.00 N ATOM 1064 CA SER A 76 4.262 -15.068 0.379 1.00 0.00 C ATOM 1065 C SER A 76 3.137 -16.098 0.376 1.00 0.00 C ATOM 1066 O SER A 76 3.149 -17.043 -0.412 1.00 0.00 O ATOM 1067 CB SER A 76 5.065 -15.178 1.678 1.00 0.00 C ATOM 1068 OG SER A 76 5.526 -16.503 1.882 1.00 0.00 O ATOM 0 H SER A 76 4.247 -13.002 0.735 1.00 0.00 H new ATOM 0 HA SER A 76 4.920 -15.271 -0.466 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.914 -14.495 1.643 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.444 -14.872 2.520 1.00 0.00 H new ATOM 0 HG SER A 76 6.037 -16.547 2.717 1.00 0.00 H new ATOM 1074 N GLN A 77 2.166 -15.908 1.264 1.00 0.00 N ATOM 1075 CA GLN A 77 1.033 -16.820 1.364 1.00 0.00 C ATOM 1076 C GLN A 77 -0.287 -16.065 1.250 1.00 0.00 C ATOM 1077 O GLN A 77 -0.309 -14.834 1.249 1.00 0.00 O ATOM 1078 CB GLN A 77 1.084 -17.586 2.687 1.00 0.00 C ATOM 1079 CG GLN A 77 1.060 -16.687 3.912 1.00 0.00 C ATOM 1080 CD GLN A 77 1.791 -17.292 5.094 1.00 0.00 C ATOM 1081 OE1 GLN A 77 2.927 -17.749 4.969 1.00 0.00 O ATOM 1082 NE2 GLN A 77 1.142 -17.297 6.253 1.00 0.00 N ATOM 0 H GLN A 77 2.142 -15.131 1.924 1.00 0.00 H new ATOM 0 HA GLN A 77 1.096 -17.529 0.539 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.238 -18.271 2.733 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.988 -18.194 2.711 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.512 -15.727 3.662 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.025 -16.489 4.192 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.201 -16.908 6.312 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.585 -17.690 7.084 1.00 0.00 H new ATOM 1091 N GLU A 78 -1.384 -16.809 1.156 1.00 0.00 N ATOM 1092 CA GLU A 78 -2.707 -16.208 1.041 1.00 0.00 C ATOM 1093 C GLU A 78 -3.270 -15.865 2.417 1.00 0.00 C ATOM 1094 O GLU A 78 -2.688 -16.215 3.442 1.00 0.00 O ATOM 1095 CB GLU A 78 -3.660 -17.156 0.310 1.00 0.00 C ATOM 1096 CG GLU A 78 -3.808 -18.510 0.982 1.00 0.00 C ATOM 1097 CD GLU A 78 -5.152 -19.155 0.708 1.00 0.00 C ATOM 1098 OE1 GLU A 78 -6.150 -18.414 0.579 1.00 0.00 O ATOM 1099 OE2 GLU A 78 -5.208 -20.400 0.621 1.00 0.00 O ATOM 0 H GLU A 78 -1.383 -17.829 1.157 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.611 -15.287 0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.641 -16.687 0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.302 -17.303 -0.709 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.014 -19.172 0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.678 -18.393 2.058 1.00 0.00 H new ATOM 1106 N GLY A 79 -4.407 -15.177 2.429 1.00 0.00 N ATOM 1107 CA GLY A 79 -5.031 -14.796 3.684 1.00 0.00 C ATOM 1108 C GLY A 79 -5.292 -13.306 3.773 1.00 0.00 C ATOM 1109 O GLY A 79 -4.832 -12.523 2.942 1.00 0.00 O ATOM 0 H GLY A 79 -4.908 -14.876 1.593 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.972 -15.334 3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.390 -15.099 4.512 1.00 0.00 H new ATOM 1113 N PRO A 80 -6.048 -12.894 4.801 1.00 0.00 N ATOM 1114 CA PRO A 80 -6.388 -11.485 5.020 1.00 0.00 C ATOM 1115 C PRO A 80 -5.181 -10.658 5.449 1.00 0.00 C ATOM 1116 O PRO A 80 -4.908 -10.513 6.642 1.00 0.00 O ATOM 1117 CB PRO A 80 -7.425 -11.541 6.143 1.00 0.00 C ATOM 1118 CG PRO A 80 -7.132 -12.809 6.869 1.00 0.00 C ATOM 1119 CD PRO A 80 -6.630 -13.773 5.830 1.00 0.00 C ATOM 0 HA PRO A 80 -6.751 -11.007 4.110 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.340 -10.678 6.804 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.440 -11.539 5.745 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.385 -12.650 7.647 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.026 -13.194 7.359 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.887 -14.456 6.242 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.437 -14.385 5.426 1.00 0.00 H new ATOM 1127 N TYR A 81 -4.462 -10.118 4.472 1.00 0.00 N ATOM 1128 CA TYR A 81 -3.283 -9.306 4.750 1.00 0.00 C ATOM 1129 C TYR A 81 -3.674 -7.866 5.067 1.00 0.00 C ATOM 1130 O TYR A 81 -4.820 -7.464 4.865 1.00 0.00 O ATOM 1131 CB TYR A 81 -2.326 -9.336 3.557 1.00 0.00 C ATOM 1132 CG TYR A 81 -1.303 -10.447 3.628 1.00 0.00 C ATOM 1133 CD1 TYR A 81 -1.696 -11.769 3.796 1.00 0.00 C ATOM 1134 CD2 TYR A 81 0.056 -10.175 3.529 1.00 0.00 C ATOM 1135 CE1 TYR A 81 -0.766 -12.788 3.863 1.00 0.00 C ATOM 1136 CE2 TYR A 81 0.993 -11.188 3.594 1.00 0.00 C ATOM 1137 CZ TYR A 81 0.578 -12.493 3.760 1.00 0.00 C ATOM 1138 OH TYR A 81 1.509 -13.504 3.825 1.00 0.00 O ATOM 0 H TYR A 81 -4.675 -10.228 3.480 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.781 -9.726 5.622 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.905 -9.445 2.640 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.807 -8.379 3.494 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.747 -12.004 3.876 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.385 -9.155 3.399 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.089 -13.810 3.995 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.046 -10.959 3.515 1.00 0.00 H new ATOM 0 HH TYR A 81 2.409 -13.126 3.735 1.00 0.00 H new ATOM 1148 N MET A 82 -2.714 -7.094 5.563 1.00 0.00 N ATOM 1149 CA MET A 82 -2.957 -5.698 5.908 1.00 0.00 C ATOM 1150 C MET A 82 -1.776 -4.824 5.497 1.00 0.00 C ATOM 1151 O MET A 82 -0.661 -5.001 5.988 1.00 0.00 O ATOM 1152 CB MET A 82 -3.215 -5.557 7.409 1.00 0.00 C ATOM 1153 CG MET A 82 -3.612 -4.151 7.828 1.00 0.00 C ATOM 1154 SD MET A 82 -4.653 -4.133 9.300 1.00 0.00 S ATOM 1155 CE MET A 82 -3.453 -3.697 10.557 1.00 0.00 C ATOM 0 H MET A 82 -1.760 -7.411 5.735 1.00 0.00 H new ATOM 0 HA MET A 82 -3.840 -5.364 5.364 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.004 -6.250 7.700 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.317 -5.849 7.953 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.713 -3.565 8.017 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.142 -3.667 7.007 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.945 -3.646 11.528 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.668 -4.452 10.588 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.015 -2.727 10.321 1.00 0.00 H new ATOM 1165 N VAL A 83 -2.028 -3.881 4.595 1.00 0.00 N ATOM 1166 CA VAL A 83 -0.985 -2.979 4.120 1.00 0.00 C ATOM 1167 C VAL A 83 -1.172 -1.575 4.687 1.00 0.00 C ATOM 1168 O VAL A 83 -1.960 -0.785 4.166 1.00 0.00 O ATOM 1169 CB VAL A 83 -0.967 -2.901 2.583 1.00 0.00 C ATOM 1170 CG1 VAL A 83 0.106 -1.934 2.108 1.00 0.00 C ATOM 1171 CG2 VAL A 83 -0.754 -4.284 1.982 1.00 0.00 C ATOM 0 H VAL A 83 -2.945 -3.722 4.178 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.035 -3.385 4.467 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.933 -2.527 2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.103 -1.893 1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.096 -0.941 2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.082 -2.274 2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.744 -4.211 0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.198 -4.688 2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.563 -4.945 2.294 1.00 0.00 H new ATOM 1181 N SER A 84 -0.445 -1.273 5.757 1.00 0.00 N ATOM 1182 CA SER A 84 -0.533 0.035 6.397 1.00 0.00 C ATOM 1183 C SER A 84 0.322 1.059 5.658 1.00 0.00 C ATOM 1184 O SER A 84 1.367 0.726 5.100 1.00 0.00 O ATOM 1185 CB SER A 84 -0.090 -0.058 7.858 1.00 0.00 C ATOM 1186 OG SER A 84 -0.561 -1.253 8.459 1.00 0.00 O ATOM 0 H SER A 84 0.212 -1.916 6.200 1.00 0.00 H new ATOM 0 HA SER A 84 -1.572 0.361 6.361 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.998 -0.023 7.914 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.465 0.803 8.411 1.00 0.00 H new ATOM 0 HG SER A 84 -0.263 -1.289 9.392 1.00 0.00 H new ATOM 1192 N VAL A 85 -0.131 2.309 5.659 1.00 0.00 N ATOM 1193 CA VAL A 85 0.592 3.384 4.990 1.00 0.00 C ATOM 1194 C VAL A 85 0.540 4.671 5.806 1.00 0.00 C ATOM 1195 O VAL A 85 -0.501 5.028 6.358 1.00 0.00 O ATOM 1196 CB VAL A 85 0.021 3.657 3.587 1.00 0.00 C ATOM 1197 CG1 VAL A 85 0.785 4.783 2.908 1.00 0.00 C ATOM 1198 CG2 VAL A 85 0.058 2.392 2.742 1.00 0.00 C ATOM 0 H VAL A 85 -0.995 2.602 6.115 1.00 0.00 H new ATOM 0 HA VAL A 85 1.628 3.057 4.895 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.019 3.968 3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.366 4.961 1.917 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.702 5.691 3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.835 4.505 2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.349 2.603 1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.088 2.050 2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.538 1.616 3.222 1.00 0.00 H new ATOM 1208 N LYS A 86 1.671 5.366 5.879 1.00 0.00 N ATOM 1209 CA LYS A 86 1.756 6.615 6.625 1.00 0.00 C ATOM 1210 C LYS A 86 2.279 7.742 5.742 1.00 0.00 C ATOM 1211 O LYS A 86 2.673 7.516 4.597 1.00 0.00 O ATOM 1212 CB LYS A 86 2.667 6.444 7.843 1.00 0.00 C ATOM 1213 CG LYS A 86 2.282 7.326 9.019 1.00 0.00 C ATOM 1214 CD LYS A 86 2.902 6.829 10.315 1.00 0.00 C ATOM 1215 CE LYS A 86 2.261 7.488 11.527 1.00 0.00 C ATOM 1216 NZ LYS A 86 3.029 7.217 12.775 1.00 0.00 N ATOM 0 H LYS A 86 2.542 5.084 5.430 1.00 0.00 H new ATOM 0 HA LYS A 86 0.753 6.877 6.962 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.645 5.401 8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.694 6.667 7.553 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.605 8.349 8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.197 7.348 9.119 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.786 5.747 10.384 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.972 7.036 10.310 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.199 8.564 11.365 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.240 7.123 11.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.561 7.683 13.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.067 6.191 12.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.996 7.588 12.675 1.00 0.00 H new ATOM 1230 N TYR A 87 2.281 8.957 6.279 1.00 0.00 N ATOM 1231 CA TYR A 87 2.754 10.120 5.539 1.00 0.00 C ATOM 1232 C TYR A 87 3.106 11.264 6.486 1.00 0.00 C ATOM 1233 O TYR A 87 2.229 11.864 7.105 1.00 0.00 O ATOM 1234 CB TYR A 87 1.691 10.581 4.538 1.00 0.00 C ATOM 1235 CG TYR A 87 2.260 11.331 3.355 1.00 0.00 C ATOM 1236 CD1 TYR A 87 2.931 10.660 2.339 1.00 0.00 C ATOM 1237 CD2 TYR A 87 2.127 12.710 3.251 1.00 0.00 C ATOM 1238 CE1 TYR A 87 3.451 11.341 1.256 1.00 0.00 C ATOM 1239 CE2 TYR A 87 2.644 13.399 2.172 1.00 0.00 C ATOM 1240 CZ TYR A 87 3.305 12.711 1.176 1.00 0.00 C ATOM 1241 OH TYR A 87 3.823 13.393 0.099 1.00 0.00 O ATOM 0 H TYR A 87 1.960 9.162 7.225 1.00 0.00 H new ATOM 0 HA TYR A 87 3.655 9.831 4.997 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.142 9.711 4.177 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.973 11.220 5.052 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.048 9.588 2.398 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.610 13.253 4.028 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.969 10.804 0.475 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.531 14.471 2.108 1.00 0.00 H new ATOM 0 HH TYR A 87 4.801 13.402 0.157 1.00 0.00 H new ATOM 1251 N ALA A 88 4.397 11.558 6.592 1.00 0.00 N ATOM 1252 CA ALA A 88 4.867 12.629 7.461 1.00 0.00 C ATOM 1253 C ALA A 88 4.495 12.361 8.915 1.00 0.00 C ATOM 1254 O ALA A 88 4.139 13.278 9.655 1.00 0.00 O ATOM 1255 CB ALA A 88 4.299 13.966 7.007 1.00 0.00 C ATOM 0 H ALA A 88 5.136 11.069 6.087 1.00 0.00 H new ATOM 0 HA ALA A 88 5.954 12.666 7.393 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.659 14.757 7.666 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.621 14.170 5.986 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.210 13.930 7.044 1.00 0.00 H new ATOM 1261 N ASP A 89 4.579 11.097 9.318 1.00 0.00 N ATOM 1262 CA ASP A 89 4.251 10.709 10.685 1.00 0.00 C ATOM 1263 C ASP A 89 2.759 10.875 10.953 1.00 0.00 C ATOM 1264 O ASP A 89 2.353 11.213 12.065 1.00 0.00 O ATOM 1265 CB ASP A 89 5.057 11.541 11.683 1.00 0.00 C ATOM 1266 CG ASP A 89 6.542 11.531 11.379 1.00 0.00 C ATOM 1267 OD1 ASP A 89 7.213 10.538 11.728 1.00 0.00 O ATOM 1268 OD2 ASP A 89 7.034 12.519 10.792 1.00 0.00 O ATOM 0 H ASP A 89 4.871 10.325 8.718 1.00 0.00 H new ATOM 0 HA ASP A 89 4.510 9.658 10.810 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.694 12.569 11.672 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.892 11.156 12.689 1.00 0.00 H new ATOM 1273 N GLU A 90 1.947 10.635 9.928 1.00 0.00 N ATOM 1274 CA GLU A 90 0.500 10.760 10.054 1.00 0.00 C ATOM 1275 C GLU A 90 -0.212 9.700 9.219 1.00 0.00 C ATOM 1276 O GLU A 90 -0.278 9.802 7.995 1.00 0.00 O ATOM 1277 CB GLU A 90 0.047 12.155 9.622 1.00 0.00 C ATOM 1278 CG GLU A 90 0.487 13.260 10.569 1.00 0.00 C ATOM 1279 CD GLU A 90 -0.386 14.495 10.471 1.00 0.00 C ATOM 1280 OE1 GLU A 90 -0.223 15.260 9.497 1.00 0.00 O ATOM 1281 OE2 GLU A 90 -1.232 14.696 11.368 1.00 0.00 O ATOM 0 H GLU A 90 2.267 10.353 9.001 1.00 0.00 H new ATOM 0 HA GLU A 90 0.238 10.609 11.101 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.440 12.363 8.627 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.040 12.167 9.544 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.466 12.886 11.592 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.520 13.531 10.350 1.00 0.00 H new ATOM 1288 N GLU A 91 -0.743 8.683 9.891 1.00 0.00 N ATOM 1289 CA GLU A 91 -1.449 7.604 9.210 1.00 0.00 C ATOM 1290 C GLU A 91 -2.565 8.156 8.327 1.00 0.00 C ATOM 1291 O GLU A 91 -3.588 8.628 8.824 1.00 0.00 O ATOM 1292 CB GLU A 91 -2.030 6.622 10.231 1.00 0.00 C ATOM 1293 CG GLU A 91 -1.120 5.441 10.525 1.00 0.00 C ATOM 1294 CD GLU A 91 -1.505 4.711 11.797 1.00 0.00 C ATOM 1295 OE1 GLU A 91 -1.746 5.387 12.819 1.00 0.00 O ATOM 1296 OE2 GLU A 91 -1.564 3.464 11.770 1.00 0.00 O ATOM 0 H GLU A 91 -0.698 8.584 10.905 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.734 7.079 8.576 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.232 7.154 11.160 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.986 6.250 9.862 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.152 4.745 9.687 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.091 5.792 10.609 1.00 0.00 H new ATOM 1303 N ILE A 92 -2.359 8.092 7.016 1.00 0.00 N ATOM 1304 CA ILE A 92 -3.346 8.585 6.064 1.00 0.00 C ATOM 1305 C ILE A 92 -4.745 8.090 6.416 1.00 0.00 C ATOM 1306 O ILE A 92 -4.921 7.039 7.034 1.00 0.00 O ATOM 1307 CB ILE A 92 -3.008 8.149 4.626 1.00 0.00 C ATOM 1308 CG1 ILE A 92 -2.988 6.622 4.524 1.00 0.00 C ATOM 1309 CG2 ILE A 92 -1.669 8.731 4.197 1.00 0.00 C ATOM 1310 CD1 ILE A 92 -2.909 6.112 3.102 1.00 0.00 C ATOM 0 H ILE A 92 -1.518 7.704 6.589 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.322 9.673 6.121 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.779 8.529 3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.136 6.240 5.086 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.886 6.223 4.995 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.444 8.414 3.179 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.716 9.819 4.236 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.887 8.377 4.868 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.899 5.022 3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.774 6.464 2.540 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.997 6.482 2.633 1.00 0.00 H new ATOM 1322 N PRO A 93 -5.765 8.864 6.016 1.00 0.00 N ATOM 1323 CA PRO A 93 -7.167 8.523 6.277 1.00 0.00 C ATOM 1324 C PRO A 93 -7.632 7.320 5.464 1.00 0.00 C ATOM 1325 O PRO A 93 -8.806 6.952 5.500 1.00 0.00 O ATOM 1326 CB PRO A 93 -7.923 9.783 5.847 1.00 0.00 C ATOM 1327 CG PRO A 93 -7.036 10.435 4.844 1.00 0.00 C ATOM 1328 CD PRO A 93 -5.628 10.130 5.276 1.00 0.00 C ATOM 0 HA PRO A 93 -7.332 8.244 7.318 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.893 9.535 5.415 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.111 10.441 6.696 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.229 10.049 3.843 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.210 11.511 4.810 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.959 10.026 4.422 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.220 10.921 5.905 1.00 0.00 H new ATOM 1336 N ARG A 94 -6.704 6.711 4.734 1.00 0.00 N ATOM 1337 CA ARG A 94 -7.020 5.549 3.912 1.00 0.00 C ATOM 1338 C ARG A 94 -6.301 4.306 4.429 1.00 0.00 C ATOM 1339 O ARG A 94 -6.491 3.206 3.909 1.00 0.00 O ATOM 1340 CB ARG A 94 -6.631 5.807 2.455 1.00 0.00 C ATOM 1341 CG ARG A 94 -7.417 6.935 1.805 1.00 0.00 C ATOM 1342 CD ARG A 94 -8.832 6.500 1.458 1.00 0.00 C ATOM 1343 NE ARG A 94 -9.600 7.579 0.842 1.00 0.00 N ATOM 1344 CZ ARG A 94 -10.164 8.565 1.529 1.00 0.00 C ATOM 1345 NH1 ARG A 94 -10.044 8.611 2.848 1.00 0.00 N ATOM 1346 NH2 ARG A 94 -10.846 9.511 0.896 1.00 0.00 N ATOM 0 H ARG A 94 -5.727 7.003 4.695 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.095 5.377 3.969 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.568 6.042 2.408 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.781 4.893 1.880 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.453 7.790 2.480 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.904 7.263 0.901 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.793 5.649 0.778 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.340 6.164 2.362 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.709 7.575 -0.172 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.517 7.888 3.338 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.478 9.370 3.373 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.937 9.481 -0.119 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.279 10.268 1.425 1.00 0.00 H new ATOM 1360 N SER A 95 -5.475 4.490 5.453 1.00 0.00 N ATOM 1361 CA SER A 95 -4.724 3.384 6.037 1.00 0.00 C ATOM 1362 C SER A 95 -5.212 3.083 7.451 1.00 0.00 C ATOM 1363 O SER A 95 -5.752 3.945 8.145 1.00 0.00 O ATOM 1364 CB SER A 95 -3.230 3.711 6.060 1.00 0.00 C ATOM 1365 OG SER A 95 -2.599 3.135 7.190 1.00 0.00 O ATOM 0 H SER A 95 -5.308 5.394 5.896 1.00 0.00 H new ATOM 0 HA SER A 95 -4.886 2.501 5.419 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.760 3.341 5.149 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.091 4.792 6.074 1.00 0.00 H new ATOM 0 HG SER A 95 -2.079 3.821 7.659 1.00 0.00 H new ATOM 1371 N PRO A 96 -5.017 1.830 7.890 1.00 0.00 N ATOM 1372 CA PRO A 96 -4.376 0.797 7.072 1.00 0.00 C ATOM 1373 C PRO A 96 -5.250 0.357 5.903 1.00 0.00 C ATOM 1374 O PRO A 96 -6.350 0.874 5.709 1.00 0.00 O ATOM 1375 CB PRO A 96 -4.175 -0.359 8.054 1.00 0.00 C ATOM 1376 CG PRO A 96 -5.225 -0.161 9.092 1.00 0.00 C ATOM 1377 CD PRO A 96 -5.409 1.328 9.217 1.00 0.00 C ATOM 0 HA PRO A 96 -3.452 1.153 6.617 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.285 -1.323 7.558 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.177 -0.338 8.491 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.157 -0.646 8.802 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.921 -0.598 10.043 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.440 1.587 9.457 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.784 1.746 10.006 1.00 0.00 H new ATOM 1385 N PHE A 97 -4.754 -0.602 5.126 1.00 0.00 N ATOM 1386 CA PHE A 97 -5.490 -1.111 3.976 1.00 0.00 C ATOM 1387 C PHE A 97 -5.733 -2.612 4.107 1.00 0.00 C ATOM 1388 O PHE A 97 -4.821 -3.375 4.425 1.00 0.00 O ATOM 1389 CB PHE A 97 -4.726 -0.817 2.684 1.00 0.00 C ATOM 1390 CG PHE A 97 -4.695 0.640 2.324 1.00 0.00 C ATOM 1391 CD1 PHE A 97 -5.794 1.246 1.734 1.00 0.00 C ATOM 1392 CD2 PHE A 97 -3.568 1.406 2.575 1.00 0.00 C ATOM 1393 CE1 PHE A 97 -5.769 2.587 1.402 1.00 0.00 C ATOM 1394 CE2 PHE A 97 -3.537 2.747 2.246 1.00 0.00 C ATOM 1395 CZ PHE A 97 -4.638 3.338 1.657 1.00 0.00 C ATOM 0 H PHE A 97 -3.845 -1.041 5.273 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.455 -0.606 3.941 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.703 -1.180 2.786 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.182 -1.375 1.867 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.680 0.663 1.532 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.703 0.949 3.033 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.632 3.047 0.944 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.653 3.333 2.449 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.615 4.386 1.396 1.00 0.00 H new ATOM 1405 N LYS A 98 -6.970 -3.029 3.860 1.00 0.00 N ATOM 1406 CA LYS A 98 -7.335 -4.438 3.948 1.00 0.00 C ATOM 1407 C LYS A 98 -7.213 -5.118 2.588 1.00 0.00 C ATOM 1408 O LYS A 98 -8.020 -4.879 1.689 1.00 0.00 O ATOM 1409 CB LYS A 98 -8.763 -4.583 4.477 1.00 0.00 C ATOM 1410 CG LYS A 98 -9.808 -3.914 3.601 1.00 0.00 C ATOM 1411 CD LYS A 98 -11.016 -3.475 4.410 1.00 0.00 C ATOM 1412 CE LYS A 98 -12.014 -4.611 4.584 1.00 0.00 C ATOM 1413 NZ LYS A 98 -12.887 -4.406 5.774 1.00 0.00 N ATOM 0 H LYS A 98 -7.737 -2.411 3.597 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.647 -4.924 4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.002 -5.643 4.568 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.815 -4.158 5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.368 -3.049 3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.124 -4.604 2.819 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.691 -3.122 5.389 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -11.502 -2.635 3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.632 -4.691 3.690 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.477 -5.554 4.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.552 -5.201 5.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.300 -4.355 6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.419 -3.519 5.665 1.00 0.00 H new ATOM 1427 N VAL A 99 -6.202 -5.968 2.444 1.00 0.00 N ATOM 1428 CA VAL A 99 -5.976 -6.684 1.195 1.00 0.00 C ATOM 1429 C VAL A 99 -6.074 -8.192 1.401 1.00 0.00 C ATOM 1430 O VAL A 99 -5.156 -8.818 1.932 1.00 0.00 O ATOM 1431 CB VAL A 99 -4.598 -6.348 0.595 1.00 0.00 C ATOM 1432 CG1 VAL A 99 -4.344 -7.173 -0.656 1.00 0.00 C ATOM 1433 CG2 VAL A 99 -4.498 -4.861 0.292 1.00 0.00 C ATOM 0 H VAL A 99 -5.526 -6.178 3.178 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.753 -6.363 0.502 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.831 -6.599 1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.366 -6.921 -1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.370 -8.233 -0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.114 -6.957 -1.397 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.518 -4.641 -0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.273 -4.582 -0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.632 -4.292 1.212 1.00 0.00 H new ATOM 1443 N LYS A 100 -7.192 -8.770 0.977 1.00 0.00 N ATOM 1444 CA LYS A 100 -7.412 -10.205 1.112 1.00 0.00 C ATOM 1445 C LYS A 100 -6.720 -10.970 -0.012 1.00 0.00 C ATOM 1446 O LYS A 100 -7.167 -10.947 -1.159 1.00 0.00 O ATOM 1447 CB LYS A 100 -8.910 -10.516 1.107 1.00 0.00 C ATOM 1448 CG LYS A 100 -9.223 -12.001 1.032 1.00 0.00 C ATOM 1449 CD LYS A 100 -10.541 -12.256 0.319 1.00 0.00 C ATOM 1450 CE LYS A 100 -11.707 -12.270 1.296 1.00 0.00 C ATOM 1451 NZ LYS A 100 -12.283 -10.911 1.491 1.00 0.00 N ATOM 0 H LYS A 100 -7.961 -8.266 0.536 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.984 -10.524 2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.361 -10.103 2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.374 -10.012 0.259 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.419 -12.518 0.508 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -9.266 -12.416 2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.704 -11.485 -0.434 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.493 -13.210 -0.207 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -12.481 -12.943 0.928 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -11.372 -12.664 2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -13.075 -10.963 2.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.551 -10.274 1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.626 -10.545 0.580 1.00 0.00 H new ATOM 1465 N VAL A 101 -5.627 -11.647 0.324 1.00 0.00 N ATOM 1466 CA VAL A 101 -4.875 -12.421 -0.656 1.00 0.00 C ATOM 1467 C VAL A 101 -5.577 -13.737 -0.974 1.00 0.00 C ATOM 1468 O VAL A 101 -6.087 -14.412 -0.080 1.00 0.00 O ATOM 1469 CB VAL A 101 -3.447 -12.720 -0.161 1.00 0.00 C ATOM 1470 CG1 VAL A 101 -2.645 -13.431 -1.240 1.00 0.00 C ATOM 1471 CG2 VAL A 101 -2.754 -11.437 0.272 1.00 0.00 C ATOM 0 H VAL A 101 -5.242 -11.675 1.268 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.818 -11.815 -1.560 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.512 -13.381 0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.639 -13.634 -0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.134 -14.371 -1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.586 -12.799 -2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.746 -11.667 0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.699 -10.750 -0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.319 -10.973 1.081 1.00 0.00 H new ATOM 1481 N LEU A 102 -5.599 -14.095 -2.252 1.00 0.00 N ATOM 1482 CA LEU A 102 -6.238 -15.332 -2.690 1.00 0.00 C ATOM 1483 C LEU A 102 -5.198 -16.360 -3.119 1.00 0.00 C ATOM 1484 O LEU A 102 -4.079 -16.024 -3.509 1.00 0.00 O ATOM 1485 CB LEU A 102 -7.201 -15.050 -3.845 1.00 0.00 C ATOM 1486 CG LEU A 102 -8.522 -14.378 -3.469 1.00 0.00 C ATOM 1487 CD1 LEU A 102 -9.264 -13.924 -4.717 1.00 0.00 C ATOM 1488 CD2 LEU A 102 -9.386 -15.325 -2.648 1.00 0.00 C ATOM 0 H LEU A 102 -5.182 -13.547 -3.004 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.799 -15.740 -1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.690 -14.419 -4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.425 -15.993 -4.343 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.302 -13.500 -2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.202 -13.448 -4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.649 -13.212 -5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.474 -14.787 -5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.322 -14.831 -2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.598 -16.222 -3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.857 -15.602 -1.736 1.00 0.00 H new ATOM 1500 N PRO A 103 -5.571 -17.646 -3.048 1.00 0.00 N ATOM 1501 CA PRO A 103 -4.686 -18.751 -3.427 1.00 0.00 C ATOM 1502 C PRO A 103 -4.438 -18.804 -4.931 1.00 0.00 C ATOM 1503 O PRO A 103 -5.376 -18.908 -5.722 1.00 0.00 O ATOM 1504 CB PRO A 103 -5.452 -19.994 -2.967 1.00 0.00 C ATOM 1505 CG PRO A 103 -6.882 -19.578 -2.964 1.00 0.00 C ATOM 1506 CD PRO A 103 -6.889 -18.121 -2.591 1.00 0.00 C ATOM 0 HA PRO A 103 -3.697 -18.654 -2.979 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.285 -20.834 -3.642 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.130 -20.313 -1.976 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.335 -19.732 -3.943 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.458 -20.166 -2.250 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.702 -17.585 -3.081 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -7.017 -17.981 -1.518 1.00 0.00 H new ATOM 1514 N THR A 104 -3.169 -18.735 -5.320 1.00 0.00 N ATOM 1515 CA THR A 104 -2.797 -18.774 -6.729 1.00 0.00 C ATOM 1516 C THR A 104 -3.728 -19.689 -7.517 1.00 0.00 C ATOM 1517 O THR A 104 -4.046 -19.419 -8.675 1.00 0.00 O ATOM 1518 CB THR A 104 -1.346 -19.255 -6.914 1.00 0.00 C ATOM 1519 OG1 THR A 104 -0.443 -18.343 -6.278 1.00 0.00 O ATOM 1520 CG2 THR A 104 -0.999 -19.372 -8.391 1.00 0.00 C ATOM 0 H THR A 104 -2.381 -18.652 -4.678 1.00 0.00 H new ATOM 0 HA THR A 104 -2.885 -17.756 -7.108 1.00 0.00 H new ATOM 0 HB THR A 104 -1.251 -20.239 -6.455 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.901 -17.493 -6.110 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.031 -19.713 -8.497 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.669 -20.088 -8.867 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.110 -18.399 -8.869 1.00 0.00 H new ATOM 1528 N TYR A 105 -4.163 -20.771 -6.882 1.00 0.00 N ATOM 1529 CA TYR A 105 -5.057 -21.728 -7.525 1.00 0.00 C ATOM 1530 C TYR A 105 -6.515 -21.407 -7.210 1.00 0.00 C ATOM 1531 O TYR A 105 -6.834 -20.913 -6.129 1.00 0.00 O ATOM 1532 CB TYR A 105 -4.727 -23.150 -7.071 1.00 0.00 C ATOM 1533 CG TYR A 105 -3.644 -23.813 -7.893 1.00 0.00 C ATOM 1534 CD1 TYR A 105 -2.360 -23.284 -7.941 1.00 0.00 C ATOM 1535 CD2 TYR A 105 -3.906 -24.966 -8.623 1.00 0.00 C ATOM 1536 CE1 TYR A 105 -1.367 -23.884 -8.692 1.00 0.00 C ATOM 1537 CE2 TYR A 105 -2.919 -25.574 -9.375 1.00 0.00 C ATOM 1538 CZ TYR A 105 -1.651 -25.029 -9.406 1.00 0.00 C ATOM 1539 OH TYR A 105 -0.666 -25.632 -10.155 1.00 0.00 O ATOM 0 H TYR A 105 -3.911 -21.008 -5.922 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.912 -21.655 -8.603 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.415 -23.126 -6.027 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -5.631 -23.757 -7.120 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.134 -22.388 -7.382 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -4.897 -25.394 -8.602 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -0.375 -23.459 -8.719 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -3.138 -26.471 -9.935 1.00 0.00 H new ATOM 0 HH TYR A 105 -1.031 -26.428 -10.595 1.00 0.00 H new ATOM 1549 N ASP A 106 -7.394 -21.693 -8.164 1.00 0.00 N ATOM 1550 CA ASP A 106 -8.820 -21.437 -7.990 1.00 0.00 C ATOM 1551 C ASP A 106 -9.593 -22.744 -7.847 1.00 0.00 C ATOM 1552 O ASP A 106 -10.703 -22.879 -8.361 1.00 0.00 O ATOM 1553 CB ASP A 106 -9.364 -20.634 -9.173 1.00 0.00 C ATOM 1554 CG ASP A 106 -9.171 -19.141 -8.997 1.00 0.00 C ATOM 1555 OD1 ASP A 106 -8.007 -18.690 -8.996 1.00 0.00 O ATOM 1556 OD2 ASP A 106 -10.185 -18.424 -8.860 1.00 0.00 O ATOM 0 H ASP A 106 -7.145 -22.102 -9.065 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.951 -20.857 -7.077 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.866 -20.957 -10.087 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -10.426 -20.848 -9.296 1.00 0.00 H new ATOM 1561 N ALA A 107 -8.998 -23.704 -7.147 1.00 0.00 N ATOM 1562 CA ALA A 107 -9.630 -25.001 -6.936 1.00 0.00 C ATOM 1563 C ALA A 107 -10.795 -24.889 -5.959 1.00 0.00 C ATOM 1564 O ALA A 107 -10.610 -24.973 -4.745 1.00 0.00 O ATOM 1565 CB ALA A 107 -8.611 -26.010 -6.432 1.00 0.00 C ATOM 0 H ALA A 107 -8.079 -23.608 -6.716 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.022 -25.347 -7.892 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -9.098 -26.973 -6.279 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -7.813 -26.119 -7.166 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -8.191 -25.662 -5.488 1.00 0.00 H new ATOM 1571 N SER A 108 -11.997 -24.699 -6.496 1.00 0.00 N ATOM 1572 CA SER A 108 -13.192 -24.573 -5.670 1.00 0.00 C ATOM 1573 C SER A 108 -13.480 -25.874 -4.928 1.00 0.00 C ATOM 1574 O SER A 108 -14.046 -25.865 -3.836 1.00 0.00 O ATOM 1575 CB SER A 108 -14.396 -24.189 -6.533 1.00 0.00 C ATOM 1576 OG SER A 108 -15.533 -23.922 -5.732 1.00 0.00 O ATOM 0 H SER A 108 -12.168 -24.629 -7.499 1.00 0.00 H new ATOM 0 HA SER A 108 -13.014 -23.788 -4.935 1.00 0.00 H new ATOM 0 HB2 SER A 108 -14.154 -23.310 -7.130 1.00 0.00 H new ATOM 0 HB3 SER A 108 -14.620 -24.996 -7.230 1.00 0.00 H new ATOM 0 HG SER A 108 -16.288 -23.678 -6.307 1.00 0.00 H new TER 1582 SER A 108