USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=29 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 84 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 95 SER OG : rot -149:sc= -0.594 USER MOD Set 2.1: A 60 ASN :FLIP amide:sc= 0.558 F(o=-0.62,f=0.35) USER MOD Set 2.2: A 72 THR OG1 : rot -85:sc= -0.209 USER MOD Set 3.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 69 HIS :FLIP no HD1:sc= -1.59 F(o=-2.4!,f=-0.54) USER MOD Set 3.3: A 87 TYR OH : rot -90:sc= 1.05 USER MOD Set 4.1: A 64 ASN :FLIP amide:sc= -0.565 F(o=-3.9,f=-1.1) USER MOD Set 4.2: A 68 THR OG1 : rot 180:sc= -0.548 USER MOD Set 4.3: A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -99:sc= 0.0591 (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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 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+ 135:sc= -0.413 (180deg=-2.21!) USER MOD Single : A 23 SER OG : rot -30:sc= 0.0622 USER MOD Single : A 31 GLN : amide:sc= -5.02! C(o=-5!,f=-6.5!) USER MOD Single : A 32 SER OG : rot 41:sc= -0.0398 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -160:sc= -0.126 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 172:sc= 0.778 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 47:sc= 0.762 USER MOD Single : A 77 GLN : amide:sc= -2.02 X(o=-2,f=-1.7!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.273 USER MOD Single : A 82 MET CE :methyl 137:sc= -0.146 (180deg=-0.707) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -38:sc= -0.475 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 -2.278 35.377 -6.310 1.00 0.00 N ATOM 2 CA GLY A 1 -1.729 34.638 -5.188 1.00 0.00 C ATOM 3 C GLY A 1 -0.292 35.018 -4.891 1.00 0.00 C ATOM 4 O GLY A 1 0.386 35.615 -5.728 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.850 36.170 -5.957 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.502 35.744 -6.897 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.876 34.747 -6.882 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.340 34.819 -4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.783 33.570 -5.399 1.00 0.00 H new ATOM 8 N SER A 2 0.175 34.672 -3.695 1.00 0.00 N ATOM 9 CA SER A 2 1.539 34.986 -3.287 1.00 0.00 C ATOM 10 C SER A 2 2.332 33.711 -3.018 1.00 0.00 C ATOM 11 O SER A 2 1.764 32.623 -2.913 1.00 0.00 O ATOM 12 CB SER A 2 1.529 35.868 -2.037 1.00 0.00 C ATOM 13 OG SER A 2 1.045 37.167 -2.334 1.00 0.00 O ATOM 0 H SER A 2 -0.371 34.174 -2.992 1.00 0.00 H new ATOM 0 HA SER A 2 2.021 35.528 -4.101 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.904 35.410 -1.270 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.537 35.937 -1.628 1.00 0.00 H new ATOM 0 HG SER A 2 1.047 37.711 -1.519 1.00 0.00 H new ATOM 19 N SER A 3 3.648 33.853 -2.905 1.00 0.00 N ATOM 20 CA SER A 3 4.523 32.713 -2.652 1.00 0.00 C ATOM 21 C SER A 3 5.457 32.995 -1.479 1.00 0.00 C ATOM 22 O SER A 3 5.806 34.144 -1.212 1.00 0.00 O ATOM 23 CB SER A 3 5.339 32.382 -3.901 1.00 0.00 C ATOM 24 OG SER A 3 4.521 31.821 -4.913 1.00 0.00 O ATOM 0 H SER A 3 4.133 34.747 -2.985 1.00 0.00 H new ATOM 0 HA SER A 3 3.898 31.856 -2.398 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.818 33.287 -4.276 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.135 31.683 -3.644 1.00 0.00 H new ATOM 0 HG SER A 3 5.067 31.620 -5.701 1.00 0.00 H new ATOM 30 N GLY A 4 5.857 31.936 -0.782 1.00 0.00 N ATOM 31 CA GLY A 4 6.747 32.089 0.354 1.00 0.00 C ATOM 32 C GLY A 4 6.129 31.593 1.646 1.00 0.00 C ATOM 33 O GLY A 4 4.947 31.821 1.905 1.00 0.00 O ATOM 0 H GLY A 4 5.581 30.975 -0.984 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.671 31.543 0.164 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.015 33.140 0.463 1.00 0.00 H new ATOM 37 N SER A 5 6.928 30.909 2.459 1.00 0.00 N ATOM 38 CA SER A 5 6.450 30.374 3.729 1.00 0.00 C ATOM 39 C SER A 5 5.049 29.790 3.579 1.00 0.00 C ATOM 40 O SER A 5 4.189 29.985 4.438 1.00 0.00 O ATOM 41 CB SER A 5 6.449 31.466 4.799 1.00 0.00 C ATOM 42 OG SER A 5 6.541 30.907 6.098 1.00 0.00 O ATOM 0 H SER A 5 7.909 30.712 2.261 1.00 0.00 H new ATOM 0 HA SER A 5 7.126 29.576 4.037 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.286 32.144 4.632 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.537 32.058 4.718 1.00 0.00 H new ATOM 0 HG SER A 5 6.540 31.626 6.764 1.00 0.00 H new ATOM 48 N SER A 6 4.827 29.073 2.482 1.00 0.00 N ATOM 49 CA SER A 6 3.529 28.464 2.217 1.00 0.00 C ATOM 50 C SER A 6 3.694 27.071 1.615 1.00 0.00 C ATOM 51 O SER A 6 4.192 26.921 0.501 1.00 0.00 O ATOM 52 CB SER A 6 2.711 29.346 1.272 1.00 0.00 C ATOM 53 OG SER A 6 1.323 29.102 1.421 1.00 0.00 O ATOM 0 H SER A 6 5.529 28.900 1.763 1.00 0.00 H new ATOM 0 HA SER A 6 3.000 28.371 3.165 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.923 30.396 1.475 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.009 29.154 0.241 1.00 0.00 H new ATOM 0 HG SER A 6 0.822 29.679 0.808 1.00 0.00 H new ATOM 59 N GLY A 7 3.274 26.056 2.363 1.00 0.00 N ATOM 60 CA GLY A 7 3.384 24.689 1.889 1.00 0.00 C ATOM 61 C GLY A 7 3.186 23.673 2.995 1.00 0.00 C ATOM 62 O GLY A 7 4.100 22.916 3.324 1.00 0.00 O ATOM 0 H GLY A 7 2.859 26.156 3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.644 24.519 1.107 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.365 24.543 1.437 1.00 0.00 H new ATOM 66 N VAL A 8 1.990 23.655 3.574 1.00 0.00 N ATOM 67 CA VAL A 8 1.674 22.725 4.652 1.00 0.00 C ATOM 68 C VAL A 8 1.551 21.298 4.127 1.00 0.00 C ATOM 69 O VAL A 8 1.284 21.081 2.945 1.00 0.00 O ATOM 70 CB VAL A 8 0.365 23.114 5.365 1.00 0.00 C ATOM 71 CG1 VAL A 8 -0.809 23.040 4.401 1.00 0.00 C ATOM 72 CG2 VAL A 8 0.133 22.221 6.573 1.00 0.00 C ATOM 0 H VAL A 8 1.223 24.275 3.314 1.00 0.00 H new ATOM 0 HA VAL A 8 2.496 22.777 5.366 1.00 0.00 H new ATOM 0 HB VAL A 8 0.452 24.143 5.715 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.725 23.318 4.922 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.641 23.725 3.570 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.903 22.023 4.019 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.796 22.509 7.065 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.065 21.182 6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.963 22.331 7.271 1.00 0.00 H new ATOM 82 N VAL A 9 1.746 20.329 5.015 1.00 0.00 N ATOM 83 CA VAL A 9 1.654 18.922 4.643 1.00 0.00 C ATOM 84 C VAL A 9 0.283 18.351 4.986 1.00 0.00 C ATOM 85 O VAL A 9 -0.161 18.423 6.132 1.00 0.00 O ATOM 86 CB VAL A 9 2.738 18.084 5.345 1.00 0.00 C ATOM 87 CG1 VAL A 9 2.479 16.599 5.146 1.00 0.00 C ATOM 88 CG2 VAL A 9 4.120 18.465 4.835 1.00 0.00 C ATOM 0 H VAL A 9 1.969 20.492 5.997 1.00 0.00 H new ATOM 0 HA VAL A 9 1.806 18.869 3.565 1.00 0.00 H new ATOM 0 HB VAL A 9 2.699 18.295 6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.256 16.024 5.649 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.507 16.340 5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.489 16.367 4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.874 17.863 5.342 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.174 18.285 3.761 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.304 19.520 5.036 1.00 0.00 H new ATOM 98 N ASP A 10 -0.382 17.784 3.986 1.00 0.00 N ATOM 99 CA ASP A 10 -1.704 17.197 4.183 1.00 0.00 C ATOM 100 C ASP A 10 -1.703 15.719 3.809 1.00 0.00 C ATOM 101 O ASP A 10 -1.811 15.349 2.640 1.00 0.00 O ATOM 102 CB ASP A 10 -2.745 17.946 3.351 1.00 0.00 C ATOM 103 CG ASP A 10 -2.991 19.353 3.860 1.00 0.00 C ATOM 104 OD1 ASP A 10 -2.046 20.170 3.823 1.00 0.00 O ATOM 105 OD2 ASP A 10 -4.126 19.638 4.295 1.00 0.00 O ATOM 0 H ASP A 10 -0.029 17.718 3.031 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.961 17.285 5.239 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.413 17.991 2.314 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.682 17.390 3.361 1.00 0.00 H new ATOM 110 N PRO A 11 -1.577 14.851 4.824 1.00 0.00 N ATOM 111 CA PRO A 11 -1.559 13.399 4.626 1.00 0.00 C ATOM 112 C PRO A 11 -2.918 12.854 4.200 1.00 0.00 C ATOM 113 O PRO A 11 -3.090 11.647 4.034 1.00 0.00 O ATOM 114 CB PRO A 11 -1.175 12.858 6.006 1.00 0.00 C ATOM 115 CG PRO A 11 -1.616 13.912 6.963 1.00 0.00 C ATOM 116 CD PRO A 11 -1.445 15.221 6.243 1.00 0.00 C ATOM 0 HA PRO A 11 -0.874 13.105 3.831 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.668 11.907 6.210 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.102 12.682 6.078 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.654 13.762 7.258 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.019 13.887 7.874 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.203 15.945 6.541 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.474 15.671 6.452 1.00 0.00 H new ATOM 124 N SER A 12 -3.882 13.752 4.025 1.00 0.00 N ATOM 125 CA SER A 12 -5.227 13.361 3.621 1.00 0.00 C ATOM 126 C SER A 12 -5.411 13.524 2.115 1.00 0.00 C ATOM 127 O SER A 12 -6.437 13.134 1.557 1.00 0.00 O ATOM 128 CB SER A 12 -6.270 14.197 4.367 1.00 0.00 C ATOM 129 OG SER A 12 -6.137 14.044 5.770 1.00 0.00 O ATOM 0 H SER A 12 -3.756 14.756 4.157 1.00 0.00 H new ATOM 0 HA SER A 12 -5.365 12.310 3.875 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.157 15.248 4.100 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.271 13.896 4.058 1.00 0.00 H new ATOM 0 HG SER A 12 -6.813 14.589 6.224 1.00 0.00 H new ATOM 135 N LYS A 13 -4.411 14.106 1.463 1.00 0.00 N ATOM 136 CA LYS A 13 -4.459 14.321 0.022 1.00 0.00 C ATOM 137 C LYS A 13 -3.731 13.204 -0.720 1.00 0.00 C ATOM 138 O LYS A 13 -3.773 13.131 -1.948 1.00 0.00 O ATOM 139 CB LYS A 13 -3.837 15.673 -0.334 1.00 0.00 C ATOM 140 CG LYS A 13 -4.386 16.829 0.483 1.00 0.00 C ATOM 141 CD LYS A 13 -5.904 16.802 0.537 1.00 0.00 C ATOM 142 CE LYS A 13 -6.515 17.002 -0.841 1.00 0.00 C ATOM 143 NZ LYS A 13 -6.735 18.444 -1.146 1.00 0.00 N ATOM 0 H LYS A 13 -3.556 14.438 1.910 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.505 14.316 -0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.758 15.617 -0.189 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.006 15.874 -1.392 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.984 16.784 1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.053 17.772 0.050 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.237 15.850 0.949 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.259 17.582 1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.860 16.567 -1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.464 16.470 -0.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.153 18.539 -2.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.380 18.853 -0.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.826 18.948 -1.117 1.00 0.00 H new ATOM 157 N VAL A 14 -3.068 12.333 0.035 1.00 0.00 N ATOM 158 CA VAL A 14 -2.334 11.218 -0.551 1.00 0.00 C ATOM 159 C VAL A 14 -3.226 9.991 -0.700 1.00 0.00 C ATOM 160 O VAL A 14 -3.816 9.517 0.271 1.00 0.00 O ATOM 161 CB VAL A 14 -1.106 10.846 0.300 1.00 0.00 C ATOM 162 CG1 VAL A 14 -1.485 10.739 1.768 1.00 0.00 C ATOM 163 CG2 VAL A 14 -0.488 9.547 -0.196 1.00 0.00 C ATOM 0 H VAL A 14 -3.024 12.378 1.053 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.999 11.542 -1.536 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.363 11.637 0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.604 10.475 2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.877 11.696 2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.247 9.969 1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.379 9.299 0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.223 8.745 -0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.177 9.665 -1.234 1.00 0.00 H new ATOM 173 N LYS A 15 -3.320 9.480 -1.923 1.00 0.00 N ATOM 174 CA LYS A 15 -4.139 8.306 -2.202 1.00 0.00 C ATOM 175 C LYS A 15 -3.327 7.236 -2.926 1.00 0.00 C ATOM 176 O LYS A 15 -2.210 7.490 -3.376 1.00 0.00 O ATOM 177 CB LYS A 15 -5.356 8.695 -3.044 1.00 0.00 C ATOM 178 CG LYS A 15 -6.408 9.470 -2.270 1.00 0.00 C ATOM 179 CD LYS A 15 -7.777 9.354 -2.919 1.00 0.00 C ATOM 180 CE LYS A 15 -7.845 10.140 -4.219 1.00 0.00 C ATOM 181 NZ LYS A 15 -7.222 9.398 -5.350 1.00 0.00 N ATOM 0 H LYS A 15 -2.839 9.861 -2.738 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.480 7.897 -1.251 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.024 9.295 -3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.809 7.791 -3.452 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.457 9.097 -1.247 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.119 10.520 -2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.001 8.305 -3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.539 9.720 -2.231 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.886 10.358 -4.457 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.340 11.098 -4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.838 9.458 -6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.296 9.817 -5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.096 8.401 -5.083 1.00 0.00 H new ATOM 195 N ILE A 16 -3.898 6.041 -3.034 1.00 0.00 N ATOM 196 CA ILE A 16 -3.227 4.934 -3.706 1.00 0.00 C ATOM 197 C ILE A 16 -4.216 4.103 -4.516 1.00 0.00 C ATOM 198 O ILE A 16 -5.290 3.747 -4.029 1.00 0.00 O ATOM 199 CB ILE A 16 -2.507 4.017 -2.699 1.00 0.00 C ATOM 200 CG1 ILE A 16 -3.517 3.385 -1.739 1.00 0.00 C ATOM 201 CG2 ILE A 16 -1.454 4.800 -1.930 1.00 0.00 C ATOM 202 CD1 ILE A 16 -2.884 2.468 -0.716 1.00 0.00 C ATOM 0 H ILE A 16 -4.822 5.814 -2.666 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.489 5.373 -4.377 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.008 3.218 -3.248 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.058 4.177 -1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.251 2.822 -2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.954 4.139 -1.222 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.721 5.206 -2.627 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.931 5.617 -1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.658 2.055 -0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.367 1.656 -1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.171 3.031 -0.114 1.00 0.00 H new ATOM 214 N ALA A 17 -3.847 3.795 -5.755 1.00 0.00 N ATOM 215 CA ALA A 17 -4.700 3.002 -6.632 1.00 0.00 C ATOM 216 C ALA A 17 -3.876 2.020 -7.458 1.00 0.00 C ATOM 217 O ALA A 17 -2.897 2.402 -8.098 1.00 0.00 O ATOM 218 CB ALA A 17 -5.511 3.911 -7.543 1.00 0.00 C ATOM 0 H ALA A 17 -2.963 4.083 -6.174 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.385 2.427 -6.009 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.143 3.305 -8.192 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.136 4.568 -6.938 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.836 4.512 -8.152 1.00 0.00 H new ATOM 224 N GLY A 18 -4.278 0.754 -7.439 1.00 0.00 N ATOM 225 CA GLY A 18 -3.565 -0.264 -8.190 1.00 0.00 C ATOM 226 C GLY A 18 -4.099 -1.657 -7.931 1.00 0.00 C ATOM 227 O GLY A 18 -4.984 -1.862 -7.099 1.00 0.00 O ATOM 0 H GLY A 18 -5.085 0.414 -6.917 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.638 -0.043 -9.255 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.507 -0.230 -7.929 1.00 0.00 H new ATOM 231 N PRO A 19 -3.558 -2.648 -8.656 1.00 0.00 N ATOM 232 CA PRO A 19 -3.973 -4.047 -8.519 1.00 0.00 C ATOM 233 C PRO A 19 -3.537 -4.652 -7.188 1.00 0.00 C ATOM 234 O PRO A 19 -4.240 -5.484 -6.614 1.00 0.00 O ATOM 235 CB PRO A 19 -3.259 -4.744 -9.681 1.00 0.00 C ATOM 236 CG PRO A 19 -2.075 -3.887 -9.966 1.00 0.00 C ATOM 237 CD PRO A 19 -2.500 -2.477 -9.666 1.00 0.00 C ATOM 0 HA PRO A 19 -5.057 -4.155 -8.540 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.959 -5.757 -9.411 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.908 -4.825 -10.553 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.225 -4.178 -9.348 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.762 -3.987 -11.005 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.672 -1.880 -9.284 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.873 -1.971 -10.557 1.00 0.00 H new ATOM 245 N GLY A 20 -2.375 -4.229 -6.702 1.00 0.00 N ATOM 246 CA GLY A 20 -1.867 -4.739 -5.442 1.00 0.00 C ATOM 247 C GLY A 20 -2.823 -4.496 -4.291 1.00 0.00 C ATOM 248 O GLY A 20 -2.895 -5.293 -3.355 1.00 0.00 O ATOM 0 H GLY A 20 -1.776 -3.542 -7.159 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.680 -5.809 -5.535 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.910 -4.266 -5.221 1.00 0.00 H new ATOM 252 N LEU A 21 -3.556 -3.391 -4.356 1.00 0.00 N ATOM 253 CA LEU A 21 -4.512 -3.042 -3.310 1.00 0.00 C ATOM 254 C LEU A 21 -5.896 -3.594 -3.632 1.00 0.00 C ATOM 255 O LEU A 21 -6.771 -3.645 -2.768 1.00 0.00 O ATOM 256 CB LEU A 21 -4.582 -1.524 -3.142 1.00 0.00 C ATOM 257 CG LEU A 21 -3.240 -0.792 -3.081 1.00 0.00 C ATOM 258 CD1 LEU A 21 -3.389 0.639 -3.578 1.00 0.00 C ATOM 259 CD2 LEU A 21 -2.685 -0.812 -1.665 1.00 0.00 C ATOM 0 H LEU A 21 -3.507 -2.720 -5.123 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.171 -3.489 -2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.160 -1.113 -3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.134 -1.305 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.536 -1.310 -3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.424 1.144 -3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.741 0.631 -4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.109 1.168 -2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.730 -0.287 -1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.387 -0.320 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.539 -1.844 -1.346 1.00 0.00 H new ATOM 271 N GLY A 22 -6.087 -4.009 -4.881 1.00 0.00 N ATOM 272 CA GLY A 22 -7.368 -4.554 -5.293 1.00 0.00 C ATOM 273 C GLY A 22 -7.705 -5.847 -4.578 1.00 0.00 C ATOM 274 O GLY A 22 -6.977 -6.279 -3.684 1.00 0.00 O ATOM 0 H GLY A 22 -5.378 -3.978 -5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.151 -3.821 -5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.355 -4.730 -6.369 1.00 0.00 H new ATOM 278 N SER A 23 -8.814 -6.466 -4.969 1.00 0.00 N ATOM 279 CA SER A 23 -9.250 -7.715 -4.356 1.00 0.00 C ATOM 280 C SER A 23 -8.777 -8.916 -5.171 1.00 0.00 C ATOM 281 O SER A 23 -8.788 -10.048 -4.691 1.00 0.00 O ATOM 282 CB SER A 23 -10.775 -7.740 -4.227 1.00 0.00 C ATOM 283 OG SER A 23 -11.199 -8.816 -3.410 1.00 0.00 O ATOM 0 H SER A 23 -9.427 -6.123 -5.708 1.00 0.00 H new ATOM 0 HA SER A 23 -8.807 -7.776 -3.362 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.123 -6.798 -3.803 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.225 -7.830 -5.215 1.00 0.00 H new ATOM 0 HG SER A 23 -10.565 -9.559 -3.492 1.00 0.00 H new ATOM 289 N GLY A 24 -8.362 -8.657 -6.408 1.00 0.00 N ATOM 290 CA GLY A 24 -7.891 -9.724 -7.270 1.00 0.00 C ATOM 291 C GLY A 24 -6.413 -10.010 -7.086 1.00 0.00 C ATOM 292 O GLY A 24 -5.670 -10.124 -8.060 1.00 0.00 O ATOM 0 H GLY A 24 -8.344 -7.727 -6.827 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.461 -10.630 -7.066 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.079 -9.457 -8.310 1.00 0.00 H new ATOM 296 N VAL A 25 -5.987 -10.124 -5.832 1.00 0.00 N ATOM 297 CA VAL A 25 -4.589 -10.398 -5.522 1.00 0.00 C ATOM 298 C VAL A 25 -4.361 -11.884 -5.272 1.00 0.00 C ATOM 299 O VAL A 25 -5.203 -12.560 -4.677 1.00 0.00 O ATOM 300 CB VAL A 25 -4.121 -9.602 -4.288 1.00 0.00 C ATOM 301 CG1 VAL A 25 -2.648 -9.864 -4.012 1.00 0.00 C ATOM 302 CG2 VAL A 25 -4.381 -8.117 -4.484 1.00 0.00 C ATOM 0 H VAL A 25 -6.590 -10.031 -5.015 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.006 -10.086 -6.389 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.692 -9.936 -3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.335 -9.294 -3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.496 -10.927 -3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.056 -9.559 -4.875 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.045 -7.569 -3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.837 -7.765 -5.360 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.448 -7.951 -4.629 1.00 0.00 H new ATOM 312 N ARG A 26 -3.219 -12.388 -5.728 1.00 0.00 N ATOM 313 CA ARG A 26 -2.882 -13.795 -5.554 1.00 0.00 C ATOM 314 C ARG A 26 -1.600 -13.951 -4.740 1.00 0.00 C ATOM 315 O ARG A 26 -0.727 -13.085 -4.769 1.00 0.00 O ATOM 316 CB ARG A 26 -2.721 -14.476 -6.914 1.00 0.00 C ATOM 317 CG ARG A 26 -3.981 -14.444 -7.764 1.00 0.00 C ATOM 318 CD ARG A 26 -3.793 -15.207 -9.066 1.00 0.00 C ATOM 319 NE ARG A 26 -4.724 -14.762 -10.100 1.00 0.00 N ATOM 320 CZ ARG A 26 -4.501 -14.906 -11.401 1.00 0.00 C ATOM 321 NH1 ARG A 26 -3.385 -15.480 -11.826 1.00 0.00 N ATOM 322 NH2 ARG A 26 -5.397 -14.476 -12.281 1.00 0.00 N ATOM 0 H ARG A 26 -2.512 -11.843 -6.221 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.697 -14.273 -5.011 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.912 -13.991 -7.460 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.424 -15.513 -6.759 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.810 -14.876 -7.204 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.248 -13.410 -7.982 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.770 -15.076 -9.419 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.934 -16.273 -8.885 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.593 -14.316 -9.806 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.694 -15.813 -11.153 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.217 -15.589 -12.826 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.258 -14.034 -11.958 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.225 -14.587 -13.280 1.00 0.00 H new ATOM 336 N ALA A 27 -1.495 -15.059 -4.016 1.00 0.00 N ATOM 337 CA ALA A 27 -0.320 -15.328 -3.196 1.00 0.00 C ATOM 338 C ALA A 27 0.889 -15.662 -4.063 1.00 0.00 C ATOM 339 O ALA A 27 0.746 -16.164 -5.178 1.00 0.00 O ATOM 340 CB ALA A 27 -0.604 -16.464 -2.224 1.00 0.00 C ATOM 0 H ALA A 27 -2.210 -15.786 -3.980 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.090 -14.427 -2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.282 -16.654 -1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.435 -16.188 -1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.862 -17.364 -2.782 1.00 0.00 H new ATOM 346 N ARG A 28 2.079 -15.378 -3.544 1.00 0.00 N ATOM 347 CA ARG A 28 3.313 -15.645 -4.273 1.00 0.00 C ATOM 348 C ARG A 28 3.270 -15.021 -5.664 1.00 0.00 C ATOM 349 O ARG A 28 3.697 -15.632 -6.644 1.00 0.00 O ATOM 350 CB ARG A 28 3.548 -17.153 -4.386 1.00 0.00 C ATOM 351 CG ARG A 28 3.620 -17.860 -3.042 1.00 0.00 C ATOM 352 CD ARG A 28 4.460 -19.125 -3.123 1.00 0.00 C ATOM 353 NE ARG A 28 5.880 -18.829 -3.291 1.00 0.00 N ATOM 354 CZ ARG A 28 6.842 -19.734 -3.149 1.00 0.00 C ATOM 355 NH1 ARG A 28 6.537 -20.987 -2.840 1.00 0.00 N ATOM 356 NH2 ARG A 28 8.112 -19.388 -3.318 1.00 0.00 N ATOM 0 H ARG A 28 2.215 -14.963 -2.622 1.00 0.00 H new ATOM 0 HA ARG A 28 4.137 -15.196 -3.718 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.745 -17.594 -4.977 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.477 -17.328 -4.929 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.045 -17.187 -2.298 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.614 -18.111 -2.707 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.317 -19.714 -2.217 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.116 -19.736 -3.958 1.00 0.00 H new ATOM 0 HE ARG A 28 6.148 -17.874 -3.531 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.562 -21.258 -2.711 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.277 -21.680 -2.731 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.351 -18.426 -3.557 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.849 -20.084 -3.208 1.00 0.00 H new ATOM 370 N VAL A 29 2.752 -13.800 -5.743 1.00 0.00 N ATOM 371 CA VAL A 29 2.652 -13.091 -7.014 1.00 0.00 C ATOM 372 C VAL A 29 3.105 -11.642 -6.872 1.00 0.00 C ATOM 373 O VAL A 29 2.955 -11.034 -5.811 1.00 0.00 O ATOM 374 CB VAL A 29 1.213 -13.117 -7.561 1.00 0.00 C ATOM 375 CG1 VAL A 29 1.024 -12.041 -8.619 1.00 0.00 C ATOM 376 CG2 VAL A 29 0.881 -14.492 -8.121 1.00 0.00 C ATOM 0 H VAL A 29 2.395 -13.280 -4.941 1.00 0.00 H new ATOM 0 HA VAL A 29 3.308 -13.606 -7.716 1.00 0.00 H new ATOM 0 HB VAL A 29 0.527 -12.909 -6.740 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.001 -12.075 -8.994 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.218 -11.062 -8.181 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.718 -12.214 -9.442 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.140 -14.492 -8.503 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.571 -14.732 -8.930 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.973 -15.238 -7.332 1.00 0.00 H new ATOM 386 N LEU A 30 3.657 -11.093 -7.948 1.00 0.00 N ATOM 387 CA LEU A 30 4.131 -9.713 -7.945 1.00 0.00 C ATOM 388 C LEU A 30 2.962 -8.736 -7.872 1.00 0.00 C ATOM 389 O LEU A 30 2.169 -8.632 -8.809 1.00 0.00 O ATOM 390 CB LEU A 30 4.965 -9.437 -9.197 1.00 0.00 C ATOM 391 CG LEU A 30 5.681 -8.087 -9.241 1.00 0.00 C ATOM 392 CD1 LEU A 30 6.922 -8.111 -8.362 1.00 0.00 C ATOM 393 CD2 LEU A 30 6.048 -7.724 -10.674 1.00 0.00 C ATOM 0 H LEU A 30 3.788 -11.582 -8.834 1.00 0.00 H new ATOM 0 HA LEU A 30 4.755 -9.571 -7.062 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.712 -10.225 -9.293 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.312 -9.508 -10.067 1.00 0.00 H new ATOM 0 HG LEU A 30 5.003 -7.326 -8.856 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.418 -7.141 -8.406 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.635 -8.325 -7.333 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.604 -8.884 -8.716 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.557 -6.760 -10.686 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.708 -8.488 -11.085 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.142 -7.664 -11.277 1.00 0.00 H new ATOM 405 N GLN A 31 2.863 -8.021 -6.757 1.00 0.00 N ATOM 406 CA GLN A 31 1.791 -7.050 -6.564 1.00 0.00 C ATOM 407 C GLN A 31 2.356 -5.647 -6.376 1.00 0.00 C ATOM 408 O GLN A 31 3.212 -5.420 -5.522 1.00 0.00 O ATOM 409 CB GLN A 31 0.938 -7.436 -5.355 1.00 0.00 C ATOM 410 CG GLN A 31 0.494 -8.890 -5.362 1.00 0.00 C ATOM 411 CD GLN A 31 -0.425 -9.214 -6.522 1.00 0.00 C ATOM 412 OE1 GLN A 31 -0.702 -8.361 -7.366 1.00 0.00 O ATOM 413 NE2 GLN A 31 -0.903 -10.452 -6.571 1.00 0.00 N ATOM 0 H GLN A 31 3.511 -8.095 -5.973 1.00 0.00 H new ATOM 0 HA GLN A 31 1.166 -7.053 -7.457 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.505 -7.242 -4.444 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.056 -6.796 -5.324 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.372 -9.534 -5.409 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.016 -9.114 -4.425 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.647 -11.126 -5.850 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.526 -10.728 -7.330 1.00 0.00 H new ATOM 422 N SER A 32 1.870 -4.707 -7.181 1.00 0.00 N ATOM 423 CA SER A 32 2.329 -3.324 -7.107 1.00 0.00 C ATOM 424 C SER A 32 1.173 -2.355 -7.331 1.00 0.00 C ATOM 425 O SER A 32 0.125 -2.731 -7.856 1.00 0.00 O ATOM 426 CB SER A 32 3.427 -3.073 -8.142 1.00 0.00 C ATOM 427 OG SER A 32 3.931 -1.753 -8.042 1.00 0.00 O ATOM 0 H SER A 32 1.159 -4.878 -7.892 1.00 0.00 H new ATOM 0 HA SER A 32 2.734 -3.155 -6.109 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.238 -3.787 -7.997 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.031 -3.239 -9.144 1.00 0.00 H new ATOM 0 HG SER A 32 4.018 -1.507 -7.097 1.00 0.00 H new ATOM 433 N PHE A 33 1.371 -1.105 -6.927 1.00 0.00 N ATOM 434 CA PHE A 33 0.345 -0.079 -7.081 1.00 0.00 C ATOM 435 C PHE A 33 0.974 1.304 -7.218 1.00 0.00 C ATOM 436 O PHE A 33 2.198 1.441 -7.260 1.00 0.00 O ATOM 437 CB PHE A 33 -0.612 -0.102 -5.888 1.00 0.00 C ATOM 438 CG PHE A 33 0.086 -0.061 -4.559 1.00 0.00 C ATOM 439 CD1 PHE A 33 0.787 -1.162 -4.095 1.00 0.00 C ATOM 440 CD2 PHE A 33 0.041 1.080 -3.773 1.00 0.00 C ATOM 441 CE1 PHE A 33 1.431 -1.127 -2.872 1.00 0.00 C ATOM 442 CE2 PHE A 33 0.684 1.121 -2.550 1.00 0.00 C ATOM 443 CZ PHE A 33 1.378 0.017 -2.098 1.00 0.00 C ATOM 0 H PHE A 33 2.233 -0.777 -6.490 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.215 -0.294 -7.991 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.290 0.749 -5.960 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.224 -1.003 -5.940 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.831 -2.058 -4.696 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.502 1.946 -4.120 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.975 -1.992 -2.522 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.643 2.017 -1.948 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.879 0.047 -1.142 1.00 0.00 H new ATOM 453 N THR A 34 0.129 2.328 -7.285 1.00 0.00 N ATOM 454 CA THR A 34 0.600 3.701 -7.417 1.00 0.00 C ATOM 455 C THR A 34 0.174 4.546 -6.223 1.00 0.00 C ATOM 456 O THR A 34 -0.976 4.488 -5.788 1.00 0.00 O ATOM 457 CB THR A 34 0.073 4.353 -8.709 1.00 0.00 C ATOM 458 OG1 THR A 34 0.472 3.581 -9.847 1.00 0.00 O ATOM 459 CG2 THR A 34 0.594 5.776 -8.848 1.00 0.00 C ATOM 0 H THR A 34 -0.886 2.232 -7.250 1.00 0.00 H new ATOM 0 HA THR A 34 1.688 3.660 -7.458 1.00 0.00 H new ATOM 0 HB THR A 34 -1.015 4.384 -8.656 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.131 4.002 -10.664 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.209 6.216 -9.768 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.264 6.369 -7.995 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.683 5.763 -8.881 1.00 0.00 H new ATOM 467 N VAL A 35 1.108 5.332 -5.697 1.00 0.00 N ATOM 468 CA VAL A 35 0.828 6.192 -4.553 1.00 0.00 C ATOM 469 C VAL A 35 0.913 7.664 -4.939 1.00 0.00 C ATOM 470 O VAL A 35 2.002 8.205 -5.132 1.00 0.00 O ATOM 471 CB VAL A 35 1.805 5.920 -3.394 1.00 0.00 C ATOM 472 CG1 VAL A 35 1.425 6.740 -2.170 1.00 0.00 C ATOM 473 CG2 VAL A 35 1.836 4.435 -3.061 1.00 0.00 C ATOM 0 H VAL A 35 2.065 5.391 -6.045 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.186 5.963 -4.225 1.00 0.00 H new ATOM 0 HB VAL A 35 2.805 6.221 -3.707 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.127 6.534 -1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.458 7.801 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.417 6.473 -1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.531 4.261 -2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.839 4.107 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.160 3.872 -3.937 1.00 0.00 H new ATOM 483 N ASP A 36 -0.244 8.309 -5.049 1.00 0.00 N ATOM 484 CA ASP A 36 -0.302 9.720 -5.410 1.00 0.00 C ATOM 485 C ASP A 36 -0.272 10.601 -4.166 1.00 0.00 C ATOM 486 O ASP A 36 -1.234 10.643 -3.398 1.00 0.00 O ATOM 487 CB ASP A 36 -1.564 10.009 -6.225 1.00 0.00 C ATOM 488 CG ASP A 36 -1.563 11.404 -6.819 1.00 0.00 C ATOM 489 OD1 ASP A 36 -1.005 11.579 -7.922 1.00 0.00 O ATOM 490 OD2 ASP A 36 -2.121 12.320 -6.181 1.00 0.00 O ATOM 0 H ASP A 36 -1.154 7.876 -4.893 1.00 0.00 H new ATOM 0 HA ASP A 36 0.573 9.950 -6.017 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.651 9.276 -7.027 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.440 9.889 -5.587 1.00 0.00 H new ATOM 495 N SER A 37 0.840 11.304 -3.971 1.00 0.00 N ATOM 496 CA SER A 37 0.997 12.181 -2.816 1.00 0.00 C ATOM 497 C SER A 37 1.386 13.590 -3.253 1.00 0.00 C ATOM 498 O SER A 37 2.041 14.323 -2.512 1.00 0.00 O ATOM 499 CB SER A 37 2.054 11.620 -1.863 1.00 0.00 C ATOM 500 OG SER A 37 3.338 11.630 -2.463 1.00 0.00 O ATOM 0 H SER A 37 1.645 11.283 -4.597 1.00 0.00 H new ATOM 0 HA SER A 37 0.040 12.232 -2.296 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.073 12.211 -0.947 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.789 10.601 -1.580 1.00 0.00 H new ATOM 0 HG SER A 37 3.996 11.268 -1.833 1.00 0.00 H new ATOM 506 N SER A 38 0.979 13.961 -4.462 1.00 0.00 N ATOM 507 CA SER A 38 1.288 15.281 -5.001 1.00 0.00 C ATOM 508 C SER A 38 0.507 16.365 -4.265 1.00 0.00 C ATOM 509 O SER A 38 1.010 17.465 -4.039 1.00 0.00 O ATOM 510 CB SER A 38 0.967 15.332 -6.496 1.00 0.00 C ATOM 511 OG SER A 38 2.090 14.950 -7.272 1.00 0.00 O ATOM 0 H SER A 38 0.435 13.367 -5.087 1.00 0.00 H new ATOM 0 HA SER A 38 2.353 15.464 -4.858 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.128 14.671 -6.714 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.657 16.340 -6.771 1.00 0.00 H new ATOM 0 HG SER A 38 1.983 15.283 -8.188 1.00 0.00 H new ATOM 517 N LYS A 39 -0.728 16.045 -3.891 1.00 0.00 N ATOM 518 CA LYS A 39 -1.581 16.989 -3.178 1.00 0.00 C ATOM 519 C LYS A 39 -1.299 16.953 -1.679 1.00 0.00 C ATOM 520 O LYS A 39 -1.813 17.775 -0.922 1.00 0.00 O ATOM 521 CB LYS A 39 -3.055 16.673 -3.438 1.00 0.00 C ATOM 522 CG LYS A 39 -3.484 16.912 -4.875 1.00 0.00 C ATOM 523 CD LYS A 39 -4.979 17.165 -4.977 1.00 0.00 C ATOM 524 CE LYS A 39 -5.770 15.868 -4.912 1.00 0.00 C ATOM 525 NZ LYS A 39 -7.233 16.116 -4.791 1.00 0.00 N ATOM 0 H LYS A 39 -1.160 15.139 -4.070 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.360 17.990 -3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.246 15.631 -3.179 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.671 17.283 -2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.941 17.766 -5.280 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.218 16.048 -5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.293 17.825 -4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.199 17.680 -5.912 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.575 15.278 -5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.430 15.278 -4.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.737 15.207 -4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.423 16.657 -3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.563 16.657 -5.616 1.00 0.00 H new ATOM 539 N ALA A 40 -0.478 15.996 -1.260 1.00 0.00 N ATOM 540 CA ALA A 40 -0.125 15.855 0.148 1.00 0.00 C ATOM 541 C ALA A 40 0.992 16.821 0.533 1.00 0.00 C ATOM 542 O ALA A 40 1.025 17.332 1.650 1.00 0.00 O ATOM 543 CB ALA A 40 0.287 14.422 0.448 1.00 0.00 C ATOM 0 H ALA A 40 -0.045 15.307 -1.875 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.004 16.101 0.744 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.548 14.332 1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.540 13.750 0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.149 14.156 -0.163 1.00 0.00 H new ATOM 549 N GLY A 41 1.906 17.063 -0.401 1.00 0.00 N ATOM 550 CA GLY A 41 3.013 17.966 -0.140 1.00 0.00 C ATOM 551 C GLY A 41 4.356 17.346 -0.468 1.00 0.00 C ATOM 552 O GLY A 41 4.499 16.652 -1.476 1.00 0.00 O ATOM 0 H GLY A 41 1.900 16.650 -1.334 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.883 18.875 -0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.999 18.260 0.910 1.00 0.00 H new ATOM 556 N LEU A 42 5.345 17.596 0.382 1.00 0.00 N ATOM 557 CA LEU A 42 6.687 17.059 0.176 1.00 0.00 C ATOM 558 C LEU A 42 7.062 16.091 1.293 1.00 0.00 C ATOM 559 O LEU A 42 8.240 15.810 1.515 1.00 0.00 O ATOM 560 CB LEU A 42 7.708 18.195 0.106 1.00 0.00 C ATOM 561 CG LEU A 42 7.331 19.483 0.840 1.00 0.00 C ATOM 562 CD1 LEU A 42 6.228 20.219 0.095 1.00 0.00 C ATOM 563 CD2 LEU A 42 6.900 19.177 2.267 1.00 0.00 C ATOM 0 H LEU A 42 5.244 18.167 1.221 1.00 0.00 H new ATOM 0 HA LEU A 42 6.693 16.516 -0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.653 17.833 0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.882 18.436 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 42 8.209 20.128 0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.973 21.133 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.572 20.472 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.347 19.581 0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.635 20.105 2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.036 18.513 2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.720 18.694 2.799 1.00 0.00 H new ATOM 575 N ALA A 43 6.053 15.582 1.992 1.00 0.00 N ATOM 576 CA ALA A 43 6.277 14.642 3.084 1.00 0.00 C ATOM 577 C ALA A 43 6.574 13.244 2.551 1.00 0.00 C ATOM 578 O ALA A 43 6.110 12.849 1.482 1.00 0.00 O ATOM 579 CB ALA A 43 5.071 14.610 4.010 1.00 0.00 C ATOM 0 H ALA A 43 5.072 15.805 1.822 1.00 0.00 H new ATOM 0 HA ALA A 43 7.145 14.980 3.649 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.253 13.904 4.820 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.905 15.604 4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.190 14.299 3.449 1.00 0.00 H new ATOM 585 N PRO A 44 7.367 12.476 3.313 1.00 0.00 N ATOM 586 CA PRO A 44 7.743 11.110 2.938 1.00 0.00 C ATOM 587 C PRO A 44 6.567 10.142 3.015 1.00 0.00 C ATOM 588 O PRO A 44 5.511 10.474 3.555 1.00 0.00 O ATOM 589 CB PRO A 44 8.809 10.739 3.972 1.00 0.00 C ATOM 590 CG PRO A 44 8.506 11.595 5.153 1.00 0.00 C ATOM 591 CD PRO A 44 7.956 12.882 4.601 1.00 0.00 C ATOM 0 HA PRO A 44 8.091 11.052 1.907 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.761 9.680 4.228 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.813 10.930 3.592 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.783 11.112 5.810 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.403 11.776 5.745 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.209 13.318 5.265 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.738 13.629 4.468 1.00 0.00 H new ATOM 599 N LEU A 45 6.757 8.944 2.471 1.00 0.00 N ATOM 600 CA LEU A 45 5.710 7.928 2.479 1.00 0.00 C ATOM 601 C LEU A 45 6.232 6.614 3.052 1.00 0.00 C ATOM 602 O LEU A 45 7.267 6.107 2.622 1.00 0.00 O ATOM 603 CB LEU A 45 5.179 7.704 1.062 1.00 0.00 C ATOM 604 CG LEU A 45 4.149 6.587 0.901 1.00 0.00 C ATOM 605 CD1 LEU A 45 2.745 7.112 1.163 1.00 0.00 C ATOM 606 CD2 LEU A 45 4.239 5.976 -0.491 1.00 0.00 C ATOM 0 H LEU A 45 7.624 8.653 2.020 1.00 0.00 H new ATOM 0 HA LEU A 45 4.898 8.283 3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.734 8.635 0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.024 7.489 0.408 1.00 0.00 H new ATOM 0 HG LEU A 45 4.367 5.810 1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.025 6.302 1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.686 7.503 2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.516 7.908 0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.498 5.182 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.047 6.745 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.236 5.563 -0.643 1.00 0.00 H new ATOM 618 N GLU A 46 5.506 6.068 4.023 1.00 0.00 N ATOM 619 CA GLU A 46 5.896 4.812 4.652 1.00 0.00 C ATOM 620 C GLU A 46 4.958 3.681 4.240 1.00 0.00 C ATOM 621 O GLU A 46 3.806 3.918 3.874 1.00 0.00 O ATOM 622 CB GLU A 46 5.897 4.958 6.175 1.00 0.00 C ATOM 623 CG GLU A 46 7.243 5.373 6.746 1.00 0.00 C ATOM 624 CD GLU A 46 8.115 4.185 7.106 1.00 0.00 C ATOM 625 OE1 GLU A 46 7.559 3.138 7.498 1.00 0.00 O ATOM 626 OE2 GLU A 46 9.353 4.304 6.996 1.00 0.00 O ATOM 0 H GLU A 46 4.646 6.475 4.390 1.00 0.00 H new ATOM 0 HA GLU A 46 6.903 4.565 4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.147 5.696 6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.599 4.010 6.623 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.765 5.996 6.020 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.084 5.985 7.634 1.00 0.00 H new ATOM 633 N VAL A 47 5.459 2.452 4.301 1.00 0.00 N ATOM 634 CA VAL A 47 4.666 1.284 3.935 1.00 0.00 C ATOM 635 C VAL A 47 4.954 0.111 4.864 1.00 0.00 C ATOM 636 O VAL A 47 6.107 -0.172 5.185 1.00 0.00 O ATOM 637 CB VAL A 47 4.941 0.853 2.482 1.00 0.00 C ATOM 638 CG1 VAL A 47 4.110 -0.370 2.121 1.00 0.00 C ATOM 639 CG2 VAL A 47 4.660 1.999 1.523 1.00 0.00 C ATOM 0 H VAL A 47 6.410 2.239 4.600 1.00 0.00 H new ATOM 0 HA VAL A 47 3.618 1.570 4.030 1.00 0.00 H new ATOM 0 HB VAL A 47 5.994 0.587 2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.318 -0.660 1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.365 -1.193 2.788 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.051 -0.134 2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.860 1.676 0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.616 2.299 1.611 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.303 2.845 1.768 1.00 0.00 H new ATOM 649 N ARG A 48 3.896 -0.569 5.295 1.00 0.00 N ATOM 650 CA ARG A 48 4.034 -1.712 6.188 1.00 0.00 C ATOM 651 C ARG A 48 3.026 -2.802 5.839 1.00 0.00 C ATOM 652 O ARG A 48 1.883 -2.513 5.480 1.00 0.00 O ATOM 653 CB ARG A 48 3.844 -1.275 7.642 1.00 0.00 C ATOM 654 CG ARG A 48 3.682 -2.435 8.611 1.00 0.00 C ATOM 655 CD ARG A 48 4.175 -2.073 10.002 1.00 0.00 C ATOM 656 NE ARG A 48 3.662 -2.984 11.021 1.00 0.00 N ATOM 657 CZ ARG A 48 4.156 -3.067 12.251 1.00 0.00 C ATOM 658 NH1 ARG A 48 5.172 -2.296 12.614 1.00 0.00 N ATOM 659 NH2 ARG A 48 3.635 -3.921 13.122 1.00 0.00 N ATOM 0 H ARG A 48 2.934 -0.347 5.040 1.00 0.00 H new ATOM 0 HA ARG A 48 5.038 -2.118 6.064 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.701 -0.675 7.947 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.966 -0.633 7.708 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.633 -2.725 8.660 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.235 -3.299 8.242 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.265 -2.091 10.016 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.870 -1.054 10.241 1.00 0.00 H new ATOM 0 HE ARG A 48 2.880 -3.591 10.774 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.576 -1.637 11.948 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.550 -2.362 13.559 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.853 -4.516 12.848 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.016 -3.983 14.066 1.00 0.00 H new ATOM 673 N VAL A 49 3.456 -4.055 5.944 1.00 0.00 N ATOM 674 CA VAL A 49 2.590 -5.188 5.640 1.00 0.00 C ATOM 675 C VAL A 49 2.506 -6.149 6.821 1.00 0.00 C ATOM 676 O VAL A 49 3.525 -6.539 7.391 1.00 0.00 O ATOM 677 CB VAL A 49 3.087 -5.957 4.401 1.00 0.00 C ATOM 678 CG1 VAL A 49 2.155 -7.116 4.081 1.00 0.00 C ATOM 679 CG2 VAL A 49 3.216 -5.021 3.209 1.00 0.00 C ATOM 0 H VAL A 49 4.399 -4.311 6.237 1.00 0.00 H new ATOM 0 HA VAL A 49 1.599 -4.783 5.434 1.00 0.00 H new ATOM 0 HB VAL A 49 4.073 -6.366 4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.523 -7.647 3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.119 -7.799 4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.154 -6.733 3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.568 -5.581 2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.244 -4.580 2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.928 -4.230 3.443 1.00 0.00 H new ATOM 689 N LEU A 50 1.285 -6.528 7.182 1.00 0.00 N ATOM 690 CA LEU A 50 1.066 -7.444 8.296 1.00 0.00 C ATOM 691 C LEU A 50 0.757 -8.850 7.792 1.00 0.00 C ATOM 692 O LEU A 50 0.702 -9.090 6.586 1.00 0.00 O ATOM 693 CB LEU A 50 -0.079 -6.942 9.177 1.00 0.00 C ATOM 694 CG LEU A 50 0.259 -5.793 10.126 1.00 0.00 C ATOM 695 CD1 LEU A 50 1.287 -6.234 11.155 1.00 0.00 C ATOM 696 CD2 LEU A 50 0.764 -4.588 9.346 1.00 0.00 C ATOM 0 H LEU A 50 0.431 -6.215 6.719 1.00 0.00 H new ATOM 0 HA LEU A 50 1.981 -7.483 8.888 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.896 -6.624 8.530 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.449 -7.779 9.769 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.650 -5.504 10.653 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.515 -5.402 11.822 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.887 -7.065 11.736 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.198 -6.551 10.647 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.000 -3.779 10.038 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.661 -4.864 8.791 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.006 -4.257 8.650 1.00 0.00 H new ATOM 708 N GLY A 51 0.554 -9.777 8.723 1.00 0.00 N ATOM 709 CA GLY A 51 0.250 -11.147 8.354 1.00 0.00 C ATOM 710 C GLY A 51 -0.994 -11.671 9.044 1.00 0.00 C ATOM 711 O GLY A 51 -1.365 -11.220 10.127 1.00 0.00 O ATOM 0 H GLY A 51 0.595 -9.603 9.727 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.116 -11.208 7.274 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.097 -11.785 8.606 1.00 0.00 H new ATOM 715 N PRO A 52 -1.660 -12.647 8.409 1.00 0.00 N ATOM 716 CA PRO A 52 -2.880 -13.254 8.949 1.00 0.00 C ATOM 717 C PRO A 52 -2.604 -14.110 10.181 1.00 0.00 C ATOM 718 O PRO A 52 -3.480 -14.299 11.026 1.00 0.00 O ATOM 719 CB PRO A 52 -3.385 -14.123 7.796 1.00 0.00 C ATOM 720 CG PRO A 52 -2.168 -14.436 6.996 1.00 0.00 C ATOM 721 CD PRO A 52 -1.274 -13.232 7.113 1.00 0.00 C ATOM 0 HA PRO A 52 -3.597 -12.503 9.279 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.861 -15.032 8.164 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.127 -13.594 7.198 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.671 -15.329 7.375 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.425 -14.631 5.955 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.220 -13.510 7.095 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.433 -12.532 6.293 1.00 0.00 H new ATOM 729 N ARG A 53 -1.383 -14.624 10.277 1.00 0.00 N ATOM 730 CA ARG A 53 -0.993 -15.461 11.405 1.00 0.00 C ATOM 731 C ARG A 53 0.200 -14.859 12.142 1.00 0.00 C ATOM 732 O ARG A 53 0.825 -15.515 12.974 1.00 0.00 O ATOM 733 CB ARG A 53 -0.650 -16.872 10.926 1.00 0.00 C ATOM 734 CG ARG A 53 -0.203 -16.931 9.475 1.00 0.00 C ATOM 735 CD ARG A 53 1.156 -16.277 9.283 1.00 0.00 C ATOM 736 NE ARG A 53 2.156 -16.813 10.202 1.00 0.00 N ATOM 737 CZ ARG A 53 2.815 -17.948 9.991 1.00 0.00 C ATOM 738 NH1 ARG A 53 2.580 -18.660 8.897 1.00 0.00 N ATOM 739 NH2 ARG A 53 3.711 -18.370 10.873 1.00 0.00 N ATOM 0 H ARG A 53 -0.646 -14.476 9.587 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.836 -15.513 12.094 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.140 -17.279 11.557 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.523 -17.512 11.055 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.157 -17.970 9.149 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.940 -16.432 8.846 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.489 -16.428 8.256 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.065 -15.201 9.433 1.00 0.00 H new ATOM 0 HE ARG A 53 2.360 -16.288 11.052 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.893 -18.337 8.216 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.087 -19.531 8.737 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.895 -17.824 11.714 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.216 -19.241 10.710 1.00 0.00 H new ATOM 753 N GLY A 54 0.511 -13.604 11.830 1.00 0.00 N ATOM 754 CA GLY A 54 1.627 -12.935 12.470 1.00 0.00 C ATOM 755 C GLY A 54 2.878 -12.945 11.613 1.00 0.00 C ATOM 756 O GLY A 54 3.995 -12.911 12.132 1.00 0.00 O ATOM 0 H GLY A 54 0.009 -13.039 11.145 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.350 -11.904 12.691 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.839 -13.420 13.423 1.00 0.00 H new ATOM 760 N LEU A 55 2.692 -12.995 10.299 1.00 0.00 N ATOM 761 CA LEU A 55 3.816 -13.011 9.368 1.00 0.00 C ATOM 762 C LEU A 55 4.144 -11.602 8.887 1.00 0.00 C ATOM 763 O LEU A 55 3.254 -10.769 8.714 1.00 0.00 O ATOM 764 CB LEU A 55 3.498 -13.910 8.172 1.00 0.00 C ATOM 765 CG LEU A 55 4.493 -13.859 7.011 1.00 0.00 C ATOM 766 CD1 LEU A 55 5.737 -14.669 7.338 1.00 0.00 C ATOM 767 CD2 LEU A 55 3.845 -14.367 5.731 1.00 0.00 C ATOM 0 H LEU A 55 1.775 -13.025 9.854 1.00 0.00 H new ATOM 0 HA LEU A 55 4.686 -13.407 9.892 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.433 -14.940 8.524 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.513 -13.640 7.792 1.00 0.00 H new ATOM 0 HG LEU A 55 4.790 -12.822 6.858 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.433 -14.621 6.501 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.213 -14.261 8.229 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.458 -15.707 7.519 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.567 -14.324 4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.519 -15.397 5.872 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.984 -13.744 5.487 1.00 0.00 H new ATOM 779 N VAL A 56 5.430 -11.342 8.669 1.00 0.00 N ATOM 780 CA VAL A 56 5.877 -10.035 8.204 1.00 0.00 C ATOM 781 C VAL A 56 6.498 -10.128 6.814 1.00 0.00 C ATOM 782 O VAL A 56 7.216 -11.080 6.509 1.00 0.00 O ATOM 783 CB VAL A 56 6.902 -9.414 9.172 1.00 0.00 C ATOM 784 CG1 VAL A 56 7.345 -8.047 8.677 1.00 0.00 C ATOM 785 CG2 VAL A 56 6.322 -9.321 10.574 1.00 0.00 C ATOM 0 H VAL A 56 6.180 -12.020 8.807 1.00 0.00 H new ATOM 0 HA VAL A 56 4.995 -9.396 8.162 1.00 0.00 H new ATOM 0 HB VAL A 56 7.779 -10.061 9.209 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.069 -7.625 9.374 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.804 -8.147 7.694 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.480 -7.387 8.608 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.060 -8.880 11.244 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.428 -8.697 10.557 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.062 -10.319 10.927 1.00 0.00 H new ATOM 795 N GLU A 57 6.218 -9.134 5.978 1.00 0.00 N ATOM 796 CA GLU A 57 6.750 -9.104 4.621 1.00 0.00 C ATOM 797 C GLU A 57 7.364 -7.744 4.306 1.00 0.00 C ATOM 798 O GLU A 57 6.895 -6.702 4.766 1.00 0.00 O ATOM 799 CB GLU A 57 5.647 -9.425 3.610 1.00 0.00 C ATOM 800 CG GLU A 57 5.172 -10.868 3.665 1.00 0.00 C ATOM 801 CD GLU A 57 6.091 -11.813 2.915 1.00 0.00 C ATOM 802 OE1 GLU A 57 5.892 -11.993 1.696 1.00 0.00 O ATOM 803 OE2 GLU A 57 7.011 -12.372 3.549 1.00 0.00 O ATOM 0 H GLU A 57 5.626 -8.339 6.216 1.00 0.00 H new ATOM 0 HA GLU A 57 7.531 -9.861 4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.798 -8.765 3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.012 -9.210 2.606 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.102 -11.184 4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.169 -10.933 3.244 1.00 0.00 H new ATOM 810 N PRO A 58 8.438 -7.751 3.503 1.00 0.00 N ATOM 811 CA PRO A 58 9.140 -6.526 3.108 1.00 0.00 C ATOM 812 C PRO A 58 8.313 -5.666 2.157 1.00 0.00 C ATOM 813 O PRO A 58 7.250 -6.080 1.695 1.00 0.00 O ATOM 814 CB PRO A 58 10.394 -7.048 2.403 1.00 0.00 C ATOM 815 CG PRO A 58 10.016 -8.401 1.908 1.00 0.00 C ATOM 816 CD PRO A 58 9.050 -8.956 2.918 1.00 0.00 C ATOM 0 HA PRO A 58 9.351 -5.883 3.962 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.687 -6.394 1.582 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.240 -7.099 3.088 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.557 -8.341 0.921 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.893 -9.041 1.814 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.304 -9.599 2.450 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.558 -9.555 3.673 1.00 0.00 H new ATOM 824 N VAL A 59 8.810 -4.467 1.869 1.00 0.00 N ATOM 825 CA VAL A 59 8.118 -3.549 0.972 1.00 0.00 C ATOM 826 C VAL A 59 9.108 -2.753 0.129 1.00 0.00 C ATOM 827 O VAL A 59 10.281 -2.632 0.481 1.00 0.00 O ATOM 828 CB VAL A 59 7.223 -2.570 1.753 1.00 0.00 C ATOM 829 CG1 VAL A 59 5.948 -3.261 2.213 1.00 0.00 C ATOM 830 CG2 VAL A 59 7.979 -1.985 2.937 1.00 0.00 C ATOM 0 H VAL A 59 9.689 -4.109 2.244 1.00 0.00 H new ATOM 0 HA VAL A 59 7.494 -4.157 0.317 1.00 0.00 H new ATOM 0 HB VAL A 59 6.945 -1.752 1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.329 -2.553 2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.399 -3.626 1.345 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.202 -4.100 2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.331 -1.295 3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.289 -2.789 3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.859 -1.451 2.579 1.00 0.00 H new ATOM 840 N ASN A 60 8.628 -2.212 -0.985 1.00 0.00 N ATOM 841 CA ASN A 60 9.471 -1.427 -1.878 1.00 0.00 C ATOM 842 C ASN A 60 8.896 -0.027 -2.081 1.00 0.00 C ATOM 843 O ASN A 60 7.683 0.147 -2.190 1.00 0.00 O ATOM 844 CB ASN A 60 9.614 -2.132 -3.229 1.00 0.00 C ATOM 845 CG ASN A 60 10.517 -1.375 -4.184 1.00 0.00 C ATOM 846 OD1 ASN A 60 10.034 -1.143 -5.399 1.00 0.00 O flip ATOM 847 ND2 ASN A 60 11.637 -1.003 -3.832 1.00 0.00 N flip ATOM 0 H ASN A 60 7.659 -2.303 -1.291 1.00 0.00 H new ATOM 0 HA ASN A 60 10.455 -1.333 -1.418 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.014 -3.134 -3.072 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.629 -2.249 -3.681 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.968 -1.203 -2.888 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.234 -0.495 -4.484 1.00 0.00 H new ATOM 854 N VAL A 61 9.777 0.967 -2.130 1.00 0.00 N ATOM 855 CA VAL A 61 9.358 2.350 -2.321 1.00 0.00 C ATOM 856 C VAL A 61 10.209 3.041 -3.380 1.00 0.00 C ATOM 857 O VAL A 61 11.419 3.199 -3.214 1.00 0.00 O ATOM 858 CB VAL A 61 9.444 3.149 -1.007 1.00 0.00 C ATOM 859 CG1 VAL A 61 10.807 2.964 -0.357 1.00 0.00 C ATOM 860 CG2 VAL A 61 9.160 4.622 -1.259 1.00 0.00 C ATOM 0 H VAL A 61 10.785 0.840 -2.040 1.00 0.00 H new ATOM 0 HA VAL A 61 8.320 2.323 -2.654 1.00 0.00 H new ATOM 0 HB VAL A 61 8.687 2.769 -0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 61 10.849 3.536 0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.966 1.908 -0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.584 3.315 -1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.225 5.171 -0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 61 9.892 5.019 -1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.159 4.733 -1.676 1.00 0.00 H new ATOM 870 N VAL A 62 9.569 3.453 -4.471 1.00 0.00 N ATOM 871 CA VAL A 62 10.267 4.128 -5.557 1.00 0.00 C ATOM 872 C VAL A 62 9.438 5.283 -6.108 1.00 0.00 C ATOM 873 O VAL A 62 8.249 5.130 -6.386 1.00 0.00 O ATOM 874 CB VAL A 62 10.597 3.155 -6.704 1.00 0.00 C ATOM 875 CG1 VAL A 62 11.294 3.886 -7.841 1.00 0.00 C ATOM 876 CG2 VAL A 62 11.452 2.005 -6.195 1.00 0.00 C ATOM 0 H VAL A 62 8.568 3.330 -4.625 1.00 0.00 H new ATOM 0 HA VAL A 62 11.197 4.516 -5.142 1.00 0.00 H new ATOM 0 HB VAL A 62 9.664 2.743 -7.088 1.00 0.00 H new ATOM 0 HG11 VAL A 62 11.519 3.182 -8.642 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.642 4.672 -8.222 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.221 4.328 -7.475 1.00 0.00 H new ATOM 0 HG21 VAL A 62 11.676 1.326 -7.018 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.382 2.397 -5.784 1.00 0.00 H new ATOM 0 HG23 VAL A 62 10.911 1.466 -5.417 1.00 0.00 H new ATOM 886 N ASP A 63 10.073 6.439 -6.263 1.00 0.00 N ATOM 887 CA ASP A 63 9.396 7.622 -6.783 1.00 0.00 C ATOM 888 C ASP A 63 9.294 7.565 -8.304 1.00 0.00 C ATOM 889 O ASP A 63 10.253 7.210 -8.987 1.00 0.00 O ATOM 890 CB ASP A 63 10.136 8.889 -6.356 1.00 0.00 C ATOM 891 CG ASP A 63 9.660 10.118 -7.106 1.00 0.00 C ATOM 892 OD1 ASP A 63 8.431 10.285 -7.254 1.00 0.00 O ATOM 893 OD2 ASP A 63 10.517 10.914 -7.544 1.00 0.00 O ATOM 0 H ASP A 63 11.057 6.583 -6.036 1.00 0.00 H new ATOM 0 HA ASP A 63 8.388 7.644 -6.370 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.998 9.044 -5.286 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.205 8.756 -6.523 1.00 0.00 H new ATOM 898 N ASN A 64 8.123 7.915 -8.827 1.00 0.00 N ATOM 899 CA ASN A 64 7.896 7.904 -10.268 1.00 0.00 C ATOM 900 C ASN A 64 8.581 9.091 -10.937 1.00 0.00 C ATOM 901 O ASN A 64 9.188 8.954 -11.998 1.00 0.00 O ATOM 902 CB ASN A 64 6.396 7.930 -10.568 1.00 0.00 C ATOM 903 CG ASN A 64 5.711 6.627 -10.205 1.00 0.00 C ATOM 904 OD1 ASN A 64 5.610 6.352 -8.909 1.00 0.00 O flip ATOM 905 ND2 ASN A 64 5.278 5.876 -11.080 1.00 0.00 N flip ATOM 0 H ASN A 64 7.317 8.209 -8.275 1.00 0.00 H new ATOM 0 HA ASN A 64 8.325 6.987 -10.671 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.932 8.747 -10.016 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.244 8.134 -11.628 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.378 6.128 -12.063 1.00 0.00 H new ATOM 0 HD22 ASN A 64 4.820 5.002 -10.821 1.00 0.00 H new ATOM 912 N GLY A 65 8.479 10.258 -10.308 1.00 0.00 N ATOM 913 CA GLY A 65 9.093 11.453 -10.856 1.00 0.00 C ATOM 914 C GLY A 65 8.070 12.477 -11.307 1.00 0.00 C ATOM 915 O GLY A 65 8.371 13.667 -11.395 1.00 0.00 O ATOM 0 H GLY A 65 7.982 10.397 -9.428 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.743 11.901 -10.105 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.724 11.178 -11.701 1.00 0.00 H new ATOM 919 N ASP A 66 6.859 12.013 -11.594 1.00 0.00 N ATOM 920 CA ASP A 66 5.787 12.897 -12.039 1.00 0.00 C ATOM 921 C ASP A 66 4.984 13.417 -10.851 1.00 0.00 C ATOM 922 O ASP A 66 4.649 14.599 -10.786 1.00 0.00 O ATOM 923 CB ASP A 66 4.863 12.163 -13.013 1.00 0.00 C ATOM 924 CG ASP A 66 5.497 11.968 -14.376 1.00 0.00 C ATOM 925 OD1 ASP A 66 5.586 12.955 -15.135 1.00 0.00 O ATOM 926 OD2 ASP A 66 5.903 10.827 -14.683 1.00 0.00 O ATOM 0 H ASP A 66 6.595 11.030 -11.527 1.00 0.00 H new ATOM 0 HA ASP A 66 6.239 13.747 -12.550 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.598 11.191 -12.596 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.936 12.725 -13.124 1.00 0.00 H new ATOM 931 N GLY A 67 4.679 12.527 -9.912 1.00 0.00 N ATOM 932 CA GLY A 67 3.917 12.915 -8.741 1.00 0.00 C ATOM 933 C GLY A 67 3.306 11.726 -8.026 1.00 0.00 C ATOM 934 O GLY A 67 2.214 11.822 -7.464 1.00 0.00 O ATOM 0 H GLY A 67 4.947 11.543 -9.942 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.566 13.455 -8.052 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.125 13.602 -9.038 1.00 0.00 H new ATOM 938 N THR A 68 4.011 10.598 -8.047 1.00 0.00 N ATOM 939 CA THR A 68 3.530 9.385 -7.399 1.00 0.00 C ATOM 940 C THR A 68 4.691 8.505 -6.950 1.00 0.00 C ATOM 941 O THR A 68 5.855 8.828 -7.186 1.00 0.00 O ATOM 942 CB THR A 68 2.616 8.572 -8.335 1.00 0.00 C ATOM 943 OG1 THR A 68 3.360 8.116 -9.471 1.00 0.00 O ATOM 944 CG2 THR A 68 1.435 9.410 -8.799 1.00 0.00 C ATOM 0 H THR A 68 4.917 10.500 -8.506 1.00 0.00 H new ATOM 0 HA THR A 68 2.956 9.699 -6.527 1.00 0.00 H new ATOM 0 HB THR A 68 2.237 7.713 -7.781 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.773 7.598 -10.060 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.804 8.815 -9.459 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.855 9.731 -7.934 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.799 10.285 -9.337 1.00 0.00 H new ATOM 952 N HIS A 69 4.367 7.390 -6.303 1.00 0.00 N ATOM 953 CA HIS A 69 5.383 6.461 -5.822 1.00 0.00 C ATOM 954 C HIS A 69 4.927 5.016 -5.997 1.00 0.00 C ATOM 955 O HIS A 69 3.840 4.639 -5.557 1.00 0.00 O ATOM 956 CB HIS A 69 5.698 6.734 -4.351 1.00 0.00 C ATOM 957 CG HIS A 69 6.021 8.168 -4.062 1.00 0.00 C ATOM 958 ND1 HIS A 69 5.282 9.290 -4.224 1.00 0.00 N flip ATOM 959 CD2 HIS A 69 7.232 8.577 -3.546 1.00 0.00 C flip ATOM 960 CE1 HIS A 69 6.052 10.348 -3.804 1.00 0.00 C flip ATOM 961 NE2 HIS A 69 7.224 9.891 -3.400 1.00 0.00 N flip ATOM 0 H HIS A 69 3.408 7.108 -6.100 1.00 0.00 H new ATOM 0 HA HIS A 69 6.286 6.612 -6.414 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.844 6.433 -3.744 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.540 6.112 -4.047 1.00 0.00 H new ATOM 0 HD2 HIS A 69 8.058 7.926 -3.300 1.00 0.00 H new ATOM 0 HE1 HIS A 69 5.748 11.384 -3.804 1.00 0.00 H new ATOM 0 HE2 HIS A 69 7.992 10.456 -3.037 1.00 0.00 H new ATOM 970 N THR A 70 5.763 4.211 -6.646 1.00 0.00 N ATOM 971 CA THR A 70 5.445 2.809 -6.882 1.00 0.00 C ATOM 972 C THR A 70 5.875 1.941 -5.704 1.00 0.00 C ATOM 973 O THR A 70 6.942 2.148 -5.124 1.00 0.00 O ATOM 974 CB THR A 70 6.120 2.287 -8.163 1.00 0.00 C ATOM 975 OG1 THR A 70 5.602 2.975 -9.306 1.00 0.00 O ATOM 976 CG2 THR A 70 5.898 0.790 -8.321 1.00 0.00 C ATOM 0 H THR A 70 6.666 4.507 -7.017 1.00 0.00 H new ATOM 0 HA THR A 70 4.363 2.747 -7.000 1.00 0.00 H new ATOM 0 HB THR A 70 7.191 2.473 -8.083 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.038 2.638 -10.116 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.384 0.444 -9.233 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.321 0.267 -7.464 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.829 0.585 -8.380 1.00 0.00 H new ATOM 984 N VAL A 71 5.040 0.968 -5.355 1.00 0.00 N ATOM 985 CA VAL A 71 5.336 0.068 -4.247 1.00 0.00 C ATOM 986 C VAL A 71 5.129 -1.388 -4.651 1.00 0.00 C ATOM 987 O VAL A 71 3.998 -1.844 -4.815 1.00 0.00 O ATOM 988 CB VAL A 71 4.456 0.377 -3.021 1.00 0.00 C ATOM 989 CG1 VAL A 71 4.824 -0.528 -1.856 1.00 0.00 C ATOM 990 CG2 VAL A 71 4.585 1.842 -2.630 1.00 0.00 C ATOM 0 H VAL A 71 4.153 0.783 -5.824 1.00 0.00 H new ATOM 0 HA VAL A 71 6.382 0.225 -3.984 1.00 0.00 H new ATOM 0 HB VAL A 71 3.416 0.184 -3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.191 -0.294 -1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.676 -1.569 -2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.869 -0.370 -1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.957 2.044 -1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.624 2.063 -2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.267 2.470 -3.462 1.00 0.00 H new ATOM 1000 N THR A 72 6.231 -2.114 -4.812 1.00 0.00 N ATOM 1001 CA THR A 72 6.172 -3.518 -5.197 1.00 0.00 C ATOM 1002 C THR A 72 6.238 -4.427 -3.976 1.00 0.00 C ATOM 1003 O THR A 72 6.973 -4.155 -3.026 1.00 0.00 O ATOM 1004 CB THR A 72 7.318 -3.885 -6.159 1.00 0.00 C ATOM 1005 OG1 THR A 72 8.579 -3.554 -5.568 1.00 0.00 O ATOM 1006 CG2 THR A 72 7.166 -3.155 -7.486 1.00 0.00 C ATOM 0 H THR A 72 7.176 -1.752 -4.681 1.00 0.00 H new ATOM 0 HA THR A 72 5.219 -3.666 -5.705 1.00 0.00 H new ATOM 0 HB THR A 72 7.276 -4.958 -6.346 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.782 -2.610 -5.737 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.987 -3.430 -8.149 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.218 -3.433 -7.947 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.184 -2.079 -7.313 1.00 0.00 H new ATOM 1014 N TYR A 73 5.467 -5.508 -4.007 1.00 0.00 N ATOM 1015 CA TYR A 73 5.437 -6.458 -2.900 1.00 0.00 C ATOM 1016 C TYR A 73 4.905 -7.812 -3.359 1.00 0.00 C ATOM 1017 O TYR A 73 4.355 -7.939 -4.453 1.00 0.00 O ATOM 1018 CB TYR A 73 4.572 -5.917 -1.760 1.00 0.00 C ATOM 1019 CG TYR A 73 3.101 -6.231 -1.915 1.00 0.00 C ATOM 1020 CD1 TYR A 73 2.562 -7.401 -1.395 1.00 0.00 C ATOM 1021 CD2 TYR A 73 2.250 -5.356 -2.579 1.00 0.00 C ATOM 1022 CE1 TYR A 73 1.218 -7.693 -1.536 1.00 0.00 C ATOM 1023 CE2 TYR A 73 0.905 -5.638 -2.722 1.00 0.00 C ATOM 1024 CZ TYR A 73 0.394 -6.807 -2.198 1.00 0.00 C ATOM 1025 OH TYR A 73 -0.945 -7.093 -2.338 1.00 0.00 O ATOM 0 H TYR A 73 4.854 -5.749 -4.786 1.00 0.00 H new ATOM 0 HA TYR A 73 6.457 -6.592 -2.541 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.926 -6.333 -0.817 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.700 -4.836 -1.699 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.204 -8.094 -0.872 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.647 -4.440 -2.990 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.816 -8.609 -1.130 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.257 -4.947 -3.241 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.409 -6.313 -2.708 1.00 0.00 H new ATOM 1035 N THR A 74 5.072 -8.824 -2.512 1.00 0.00 N ATOM 1036 CA THR A 74 4.609 -10.169 -2.829 1.00 0.00 C ATOM 1037 C THR A 74 4.119 -10.890 -1.578 1.00 0.00 C ATOM 1038 O THR A 74 4.888 -11.196 -0.668 1.00 0.00 O ATOM 1039 CB THR A 74 5.724 -11.006 -3.486 1.00 0.00 C ATOM 1040 OG1 THR A 74 6.155 -10.379 -4.699 1.00 0.00 O ATOM 1041 CG2 THR A 74 5.237 -12.416 -3.782 1.00 0.00 C ATOM 0 H THR A 74 5.524 -8.737 -1.602 1.00 0.00 H new ATOM 0 HA THR A 74 3.782 -10.062 -3.531 1.00 0.00 H new ATOM 0 HB THR A 74 6.562 -11.067 -2.792 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.865 -10.915 -5.110 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.040 -12.989 -4.245 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.936 -12.900 -2.853 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.385 -12.372 -4.460 1.00 0.00 H new ATOM 1049 N PRO A 75 2.808 -11.169 -1.531 1.00 0.00 N ATOM 1050 CA PRO A 75 2.186 -11.860 -0.398 1.00 0.00 C ATOM 1051 C PRO A 75 2.601 -13.324 -0.312 1.00 0.00 C ATOM 1052 O PRO A 75 2.004 -14.187 -0.956 1.00 0.00 O ATOM 1053 CB PRO A 75 0.688 -11.744 -0.691 1.00 0.00 C ATOM 1054 CG PRO A 75 0.602 -11.595 -2.171 1.00 0.00 C ATOM 1055 CD PRO A 75 1.832 -10.834 -2.582 1.00 0.00 C ATOM 0 HA PRO A 75 2.482 -11.425 0.557 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.148 -12.628 -0.350 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.250 -10.886 -0.181 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.564 -12.569 -2.660 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.303 -11.059 -2.457 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.183 -11.139 -3.568 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.644 -9.761 -2.629 1.00 0.00 H new ATOM 1063 N SER A 76 3.626 -13.598 0.488 1.00 0.00 N ATOM 1064 CA SER A 76 4.123 -14.959 0.655 1.00 0.00 C ATOM 1065 C SER A 76 2.981 -15.968 0.577 1.00 0.00 C ATOM 1066 O SER A 76 3.014 -16.896 -0.229 1.00 0.00 O ATOM 1067 CB SER A 76 4.851 -15.098 1.994 1.00 0.00 C ATOM 1068 OG SER A 76 6.170 -14.586 1.913 1.00 0.00 O ATOM 0 H SER A 76 4.129 -12.896 1.031 1.00 0.00 H new ATOM 0 HA SER A 76 4.823 -15.166 -0.154 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.298 -14.567 2.769 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.882 -16.147 2.287 1.00 0.00 H new ATOM 0 HG SER A 76 6.155 -13.710 1.474 1.00 0.00 H new ATOM 1074 N GLN A 77 1.973 -15.777 1.422 1.00 0.00 N ATOM 1075 CA GLN A 77 0.820 -16.670 1.449 1.00 0.00 C ATOM 1076 C GLN A 77 -0.482 -15.879 1.400 1.00 0.00 C ATOM 1077 O GLN A 77 -0.512 -14.694 1.728 1.00 0.00 O ATOM 1078 CB GLN A 77 0.855 -17.542 2.706 1.00 0.00 C ATOM 1079 CG GLN A 77 0.609 -16.768 3.992 1.00 0.00 C ATOM 1080 CD GLN A 77 0.998 -17.552 5.228 1.00 0.00 C ATOM 1081 OE1 GLN A 77 1.883 -18.408 5.182 1.00 0.00 O ATOM 1082 NE2 GLN A 77 0.339 -17.263 6.345 1.00 0.00 N ATOM 0 H GLN A 77 1.931 -15.013 2.096 1.00 0.00 H new ATOM 0 HA GLN A 77 0.867 -17.311 0.569 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.104 -18.326 2.615 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.825 -18.035 2.769 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.174 -15.836 3.965 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.446 -16.499 4.054 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.387 -16.546 6.338 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.559 -17.758 7.209 1.00 0.00 H new ATOM 1091 N GLU A 78 -1.557 -16.544 0.989 1.00 0.00 N ATOM 1092 CA GLU A 78 -2.863 -15.902 0.897 1.00 0.00 C ATOM 1093 C GLU A 78 -3.446 -15.652 2.284 1.00 0.00 C ATOM 1094 O GLU A 78 -2.893 -16.093 3.290 1.00 0.00 O ATOM 1095 CB GLU A 78 -3.824 -16.765 0.075 1.00 0.00 C ATOM 1096 CG GLU A 78 -4.306 -18.006 0.808 1.00 0.00 C ATOM 1097 CD GLU A 78 -3.269 -19.113 0.825 1.00 0.00 C ATOM 1098 OE1 GLU A 78 -2.670 -19.379 -0.237 1.00 0.00 O ATOM 1099 OE2 GLU A 78 -3.058 -19.712 1.900 1.00 0.00 O ATOM 0 H GLU A 78 -1.549 -17.526 0.715 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.732 -14.941 0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.687 -16.163 -0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.329 -17.068 -0.848 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.565 -17.740 1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.216 -18.373 0.334 1.00 0.00 H new ATOM 1106 N GLY A 79 -4.569 -14.940 2.329 1.00 0.00 N ATOM 1107 CA GLY A 79 -5.209 -14.642 3.597 1.00 0.00 C ATOM 1108 C GLY A 79 -5.490 -13.164 3.772 1.00 0.00 C ATOM 1109 O GLY A 79 -5.129 -12.338 2.933 1.00 0.00 O ATOM 0 H GLY A 79 -5.046 -14.565 1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.144 -15.197 3.667 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.572 -14.986 4.412 1.00 0.00 H new ATOM 1113 N PRO A 80 -6.152 -12.810 4.883 1.00 0.00 N ATOM 1114 CA PRO A 80 -6.498 -11.419 5.190 1.00 0.00 C ATOM 1115 C PRO A 80 -5.272 -10.580 5.535 1.00 0.00 C ATOM 1116 O PRO A 80 -4.943 -10.397 6.707 1.00 0.00 O ATOM 1117 CB PRO A 80 -7.421 -11.542 6.405 1.00 0.00 C ATOM 1118 CG PRO A 80 -7.032 -12.830 7.047 1.00 0.00 C ATOM 1119 CD PRO A 80 -6.613 -13.742 5.926 1.00 0.00 C ATOM 0 HA PRO A 80 -6.957 -10.916 4.339 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.290 -10.703 7.089 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.469 -11.549 6.107 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.217 -12.682 7.755 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.866 -13.255 7.605 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.820 -14.422 6.236 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.442 -14.357 5.577 1.00 0.00 H new ATOM 1127 N TYR A 81 -4.601 -10.072 4.509 1.00 0.00 N ATOM 1128 CA TYR A 81 -3.409 -9.254 4.704 1.00 0.00 C ATOM 1129 C TYR A 81 -3.786 -7.807 5.005 1.00 0.00 C ATOM 1130 O TYR A 81 -4.958 -7.434 4.950 1.00 0.00 O ATOM 1131 CB TYR A 81 -2.516 -9.312 3.463 1.00 0.00 C ATOM 1132 CG TYR A 81 -1.494 -10.425 3.503 1.00 0.00 C ATOM 1133 CD1 TYR A 81 -1.882 -11.743 3.712 1.00 0.00 C ATOM 1134 CD2 TYR A 81 -0.141 -10.159 3.335 1.00 0.00 C ATOM 1135 CE1 TYR A 81 -0.952 -12.763 3.750 1.00 0.00 C ATOM 1136 CE2 TYR A 81 0.796 -11.173 3.371 1.00 0.00 C ATOM 1137 CZ TYR A 81 0.386 -12.473 3.579 1.00 0.00 C ATOM 1138 OH TYR A 81 1.316 -13.487 3.617 1.00 0.00 O ATOM 0 H TYR A 81 -4.861 -10.212 3.533 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.860 -9.653 5.557 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.143 -9.438 2.580 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.999 -8.359 3.353 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.928 -11.973 3.847 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.184 -9.142 3.173 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.270 -13.782 3.913 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.844 -10.949 3.237 1.00 0.00 H new ATOM 0 HH TYR A 81 2.212 -13.115 3.478 1.00 0.00 H new ATOM 1148 N MET A 82 -2.784 -6.995 5.326 1.00 0.00 N ATOM 1149 CA MET A 82 -3.009 -5.589 5.635 1.00 0.00 C ATOM 1150 C MET A 82 -1.789 -4.749 5.269 1.00 0.00 C ATOM 1151 O MET A 82 -0.663 -5.074 5.645 1.00 0.00 O ATOM 1152 CB MET A 82 -3.333 -5.416 7.120 1.00 0.00 C ATOM 1153 CG MET A 82 -3.471 -3.964 7.548 1.00 0.00 C ATOM 1154 SD MET A 82 -4.042 -3.792 9.250 1.00 0.00 S ATOM 1155 CE MET A 82 -2.639 -2.965 9.996 1.00 0.00 C ATOM 0 H MET A 82 -1.808 -7.287 5.379 1.00 0.00 H new ATOM 0 HA MET A 82 -3.857 -5.245 5.042 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.261 -5.942 7.344 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.548 -5.887 7.712 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.508 -3.464 7.440 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.170 -3.458 6.882 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.992 -2.169 10.652 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.060 -3.683 10.576 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.010 -2.539 9.214 1.00 0.00 H new ATOM 1165 N VAL A 83 -2.020 -3.667 4.531 1.00 0.00 N ATOM 1166 CA VAL A 83 -0.940 -2.781 4.114 1.00 0.00 C ATOM 1167 C VAL A 83 -1.100 -1.394 4.726 1.00 0.00 C ATOM 1168 O VAL A 83 -1.854 -0.563 4.218 1.00 0.00 O ATOM 1169 CB VAL A 83 -0.881 -2.651 2.580 1.00 0.00 C ATOM 1170 CG1 VAL A 83 0.208 -1.672 2.169 1.00 0.00 C ATOM 1171 CG2 VAL A 83 -0.657 -4.012 1.938 1.00 0.00 C ATOM 0 H VAL A 83 -2.946 -3.383 4.210 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.010 -3.226 4.469 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.837 -2.263 2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.235 -1.593 1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.002 -0.693 2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.173 -2.028 2.531 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.618 -3.901 0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.284 -4.432 2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.476 -4.680 2.205 1.00 0.00 H new ATOM 1181 N SER A 84 -0.385 -1.149 5.819 1.00 0.00 N ATOM 1182 CA SER A 84 -0.451 0.137 6.504 1.00 0.00 C ATOM 1183 C SER A 84 0.429 1.169 5.804 1.00 0.00 C ATOM 1184 O SER A 84 1.585 0.897 5.477 1.00 0.00 O ATOM 1185 CB SER A 84 -0.017 -0.015 7.963 1.00 0.00 C ATOM 1186 OG SER A 84 0.085 1.247 8.599 1.00 0.00 O ATOM 0 H SER A 84 0.247 -1.824 6.250 1.00 0.00 H new ATOM 0 HA SER A 84 -1.484 0.485 6.475 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.735 -0.637 8.496 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.944 -0.527 8.008 1.00 0.00 H new ATOM 0 HG SER A 84 0.362 1.122 9.531 1.00 0.00 H new ATOM 1192 N VAL A 85 -0.127 2.354 5.578 1.00 0.00 N ATOM 1193 CA VAL A 85 0.606 3.430 4.919 1.00 0.00 C ATOM 1194 C VAL A 85 0.541 4.718 5.732 1.00 0.00 C ATOM 1195 O VAL A 85 -0.522 5.109 6.213 1.00 0.00 O ATOM 1196 CB VAL A 85 0.055 3.699 3.506 1.00 0.00 C ATOM 1197 CG1 VAL A 85 0.806 4.848 2.851 1.00 0.00 C ATOM 1198 CG2 VAL A 85 0.139 2.442 2.654 1.00 0.00 C ATOM 0 H VAL A 85 -1.083 2.594 5.841 1.00 0.00 H new ATOM 0 HA VAL A 85 1.644 3.106 4.841 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.994 3.983 3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.403 5.024 1.853 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.690 5.749 3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.864 4.596 2.776 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.254 2.650 1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.179 2.125 2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.447 1.648 3.117 1.00 0.00 H new ATOM 1208 N LYS A 86 1.687 5.373 5.881 1.00 0.00 N ATOM 1209 CA LYS A 86 1.762 6.620 6.635 1.00 0.00 C ATOM 1210 C LYS A 86 2.354 7.737 5.781 1.00 0.00 C ATOM 1211 O LYS A 86 2.909 7.486 4.710 1.00 0.00 O ATOM 1212 CB LYS A 86 2.606 6.426 7.896 1.00 0.00 C ATOM 1213 CG LYS A 86 2.162 7.291 9.063 1.00 0.00 C ATOM 1214 CD LYS A 86 2.711 6.771 10.382 1.00 0.00 C ATOM 1215 CE LYS A 86 2.023 7.428 11.570 1.00 0.00 C ATOM 1216 NZ LYS A 86 2.755 7.179 12.842 1.00 0.00 N ATOM 0 H LYS A 86 2.576 5.062 5.490 1.00 0.00 H new ATOM 0 HA LYS A 86 0.750 6.904 6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.564 5.378 8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.647 6.650 7.664 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.498 8.316 8.906 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.073 7.316 9.105 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.575 5.691 10.433 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.783 6.960 10.431 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.948 8.502 11.398 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.005 7.048 11.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.255 7.643 13.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.804 6.155 13.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.718 7.565 12.769 1.00 0.00 H new ATOM 1230 N TYR A 87 2.233 8.970 6.260 1.00 0.00 N ATOM 1231 CA TYR A 87 2.755 10.125 5.540 1.00 0.00 C ATOM 1232 C TYR A 87 3.077 11.265 6.501 1.00 0.00 C ATOM 1233 O TYR A 87 2.180 11.938 7.007 1.00 0.00 O ATOM 1234 CB TYR A 87 1.746 10.597 4.491 1.00 0.00 C ATOM 1235 CG TYR A 87 2.371 11.388 3.364 1.00 0.00 C ATOM 1236 CD1 TYR A 87 3.112 10.757 2.374 1.00 0.00 C ATOM 1237 CD2 TYR A 87 2.219 12.768 3.290 1.00 0.00 C ATOM 1238 CE1 TYR A 87 3.685 11.476 1.342 1.00 0.00 C ATOM 1239 CE2 TYR A 87 2.787 13.495 2.263 1.00 0.00 C ATOM 1240 CZ TYR A 87 3.518 12.845 1.291 1.00 0.00 C ATOM 1241 OH TYR A 87 4.087 13.566 0.266 1.00 0.00 O ATOM 0 H TYR A 87 1.778 9.195 7.144 1.00 0.00 H new ATOM 0 HA TYR A 87 3.675 9.824 5.040 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.234 9.729 4.075 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.988 11.211 4.978 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.243 9.686 2.411 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.647 13.280 4.049 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.260 10.970 0.580 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.660 14.567 2.221 1.00 0.00 H new ATOM 0 HH TYR A 87 4.987 13.853 0.528 1.00 0.00 H new ATOM 1251 N ALA A 88 4.366 11.477 6.746 1.00 0.00 N ATOM 1252 CA ALA A 88 4.809 12.537 7.643 1.00 0.00 C ATOM 1253 C ALA A 88 4.381 12.256 9.080 1.00 0.00 C ATOM 1254 O ALA A 88 3.926 13.153 9.789 1.00 0.00 O ATOM 1255 CB ALA A 88 4.266 13.881 7.181 1.00 0.00 C ATOM 0 H ALA A 88 5.122 10.928 6.336 1.00 0.00 H new ATOM 0 HA ALA A 88 5.898 12.569 7.616 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.605 14.663 7.860 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.627 14.093 6.175 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.176 13.851 7.177 1.00 0.00 H new ATOM 1261 N ASP A 89 4.527 11.004 9.502 1.00 0.00 N ATOM 1262 CA ASP A 89 4.155 10.605 10.853 1.00 0.00 C ATOM 1263 C ASP A 89 2.658 10.790 11.082 1.00 0.00 C ATOM 1264 O ASP A 89 2.225 11.112 12.188 1.00 0.00 O ATOM 1265 CB ASP A 89 4.944 11.416 11.883 1.00 0.00 C ATOM 1266 CG ASP A 89 6.360 10.905 12.059 1.00 0.00 C ATOM 1267 OD1 ASP A 89 7.118 10.898 11.066 1.00 0.00 O ATOM 1268 OD2 ASP A 89 6.712 10.512 13.192 1.00 0.00 O ATOM 0 H ASP A 89 4.900 10.249 8.927 1.00 0.00 H new ATOM 0 HA ASP A 89 4.395 9.548 10.972 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.974 12.461 11.573 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.427 11.382 12.842 1.00 0.00 H new ATOM 1273 N GLU A 90 1.873 10.584 10.028 1.00 0.00 N ATOM 1274 CA GLU A 90 0.425 10.730 10.115 1.00 0.00 C ATOM 1275 C GLU A 90 -0.279 9.683 9.258 1.00 0.00 C ATOM 1276 O GLU A 90 -0.299 9.780 8.032 1.00 0.00 O ATOM 1277 CB GLU A 90 0.005 12.133 9.674 1.00 0.00 C ATOM 1278 CG GLU A 90 0.552 13.240 10.559 1.00 0.00 C ATOM 1279 CD GLU A 90 -0.374 13.577 11.711 1.00 0.00 C ATOM 1280 OE1 GLU A 90 -1.017 12.651 12.247 1.00 0.00 O ATOM 1281 OE2 GLU A 90 -0.455 14.769 12.076 1.00 0.00 O ATOM 0 H GLU A 90 2.216 10.316 9.105 1.00 0.00 H new ATOM 0 HA GLU A 90 0.132 10.581 11.154 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.341 12.299 8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.083 12.191 9.665 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.522 12.938 10.954 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.717 14.134 9.957 1.00 0.00 H new ATOM 1288 N GLU A 91 -0.855 8.680 9.914 1.00 0.00 N ATOM 1289 CA GLU A 91 -1.559 7.613 9.211 1.00 0.00 C ATOM 1290 C GLU A 91 -2.641 8.184 8.300 1.00 0.00 C ATOM 1291 O GLU A 91 -3.634 8.741 8.770 1.00 0.00 O ATOM 1292 CB GLU A 91 -2.183 6.639 10.213 1.00 0.00 C ATOM 1293 CG GLU A 91 -1.290 5.455 10.548 1.00 0.00 C ATOM 1294 CD GLU A 91 -1.560 4.893 11.930 1.00 0.00 C ATOM 1295 OE1 GLU A 91 -1.487 5.664 12.909 1.00 0.00 O ATOM 1296 OE2 GLU A 91 -1.845 3.682 12.031 1.00 0.00 O ATOM 0 H GLU A 91 -0.848 8.584 10.929 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.835 7.078 8.596 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.419 7.177 11.131 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.126 6.270 9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.439 4.671 9.806 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.246 5.762 10.482 1.00 0.00 H new ATOM 1303 N ILE A 92 -2.441 8.042 6.993 1.00 0.00 N ATOM 1304 CA ILE A 92 -3.399 8.543 6.016 1.00 0.00 C ATOM 1305 C ILE A 92 -4.814 8.076 6.343 1.00 0.00 C ATOM 1306 O ILE A 92 -5.022 7.033 6.964 1.00 0.00 O ATOM 1307 CB ILE A 92 -3.038 8.088 4.589 1.00 0.00 C ATOM 1308 CG1 ILE A 92 -3.021 6.560 4.507 1.00 0.00 C ATOM 1309 CG2 ILE A 92 -1.690 8.660 4.176 1.00 0.00 C ATOM 1310 CD1 ILE A 92 -2.920 6.033 3.093 1.00 0.00 C ATOM 0 H ILE A 92 -1.625 7.584 6.587 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.358 9.631 6.064 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.796 8.462 3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.180 6.182 5.088 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.928 6.169 4.968 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.449 8.330 3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.734 9.749 4.201 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.920 8.312 4.865 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.913 4.943 3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.775 6.381 2.513 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.999 6.394 2.635 1.00 0.00 H new ATOM 1322 N PRO A 93 -5.811 8.864 5.915 1.00 0.00 N ATOM 1323 CA PRO A 93 -7.224 8.551 6.148 1.00 0.00 C ATOM 1324 C PRO A 93 -7.694 7.349 5.335 1.00 0.00 C ATOM 1325 O PRO A 93 -8.885 7.042 5.295 1.00 0.00 O ATOM 1326 CB PRO A 93 -7.948 9.820 5.694 1.00 0.00 C ATOM 1327 CG PRO A 93 -7.028 10.447 4.704 1.00 0.00 C ATOM 1328 CD PRO A 93 -5.636 10.122 5.169 1.00 0.00 C ATOM 0 HA PRO A 93 -7.416 8.283 7.187 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.913 9.586 5.245 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.141 10.488 6.534 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.206 10.055 3.703 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.182 11.525 4.656 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.950 10.000 4.330 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.229 10.911 5.801 1.00 0.00 H new ATOM 1336 N ARG A 94 -6.749 6.672 4.690 1.00 0.00 N ATOM 1337 CA ARG A 94 -7.067 5.504 3.877 1.00 0.00 C ATOM 1338 C ARG A 94 -6.330 4.270 4.388 1.00 0.00 C ATOM 1339 O ARG A 94 -6.500 3.170 3.860 1.00 0.00 O ATOM 1340 CB ARG A 94 -6.704 5.761 2.413 1.00 0.00 C ATOM 1341 CG ARG A 94 -7.528 6.860 1.765 1.00 0.00 C ATOM 1342 CD ARG A 94 -6.804 8.197 1.804 1.00 0.00 C ATOM 1343 NE ARG A 94 -7.614 9.275 1.245 1.00 0.00 N ATOM 1344 CZ ARG A 94 -8.729 9.726 1.811 1.00 0.00 C ATOM 1345 NH1 ARG A 94 -9.162 9.195 2.946 1.00 0.00 N ATOM 1346 NH2 ARG A 94 -9.411 10.711 1.241 1.00 0.00 N ATOM 0 H ARG A 94 -5.758 6.912 4.715 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.139 5.321 3.950 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.648 6.025 2.350 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.836 4.838 1.848 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.744 6.592 0.731 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.486 6.949 2.278 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -6.542 8.437 2.834 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -5.870 8.120 1.248 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.308 9.706 0.373 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.639 8.438 3.387 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.018 9.543 3.378 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.080 11.122 0.368 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.267 11.057 1.675 1.00 0.00 H new ATOM 1360 N SER A 95 -5.510 4.460 5.416 1.00 0.00 N ATOM 1361 CA SER A 95 -4.743 3.363 5.994 1.00 0.00 C ATOM 1362 C SER A 95 -5.242 3.032 7.398 1.00 0.00 C ATOM 1363 O SER A 95 -5.781 3.881 8.110 1.00 0.00 O ATOM 1364 CB SER A 95 -3.256 3.721 6.042 1.00 0.00 C ATOM 1365 OG SER A 95 -2.613 3.089 7.135 1.00 0.00 O ATOM 0 H SER A 95 -5.360 5.363 5.866 1.00 0.00 H new ATOM 0 HA SER A 95 -4.878 2.486 5.361 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.776 3.420 5.111 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.142 4.802 6.125 1.00 0.00 H new ATOM 0 HG SER A 95 -1.877 3.653 7.452 1.00 0.00 H new ATOM 1371 N PRO A 96 -5.061 1.768 7.807 1.00 0.00 N ATOM 1372 CA PRO A 96 -4.422 0.748 6.968 1.00 0.00 C ATOM 1373 C PRO A 96 -5.293 0.344 5.783 1.00 0.00 C ATOM 1374 O PRO A 96 -6.434 0.789 5.658 1.00 0.00 O ATOM 1375 CB PRO A 96 -4.239 -0.433 7.924 1.00 0.00 C ATOM 1376 CG PRO A 96 -5.294 -0.251 8.959 1.00 0.00 C ATOM 1377 CD PRO A 96 -5.466 1.235 9.118 1.00 0.00 C ATOM 0 HA PRO A 96 -3.491 1.106 6.528 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.354 -1.384 7.404 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.244 -0.431 8.369 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.228 -0.721 8.651 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -5.000 -0.713 9.901 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.497 1.497 9.357 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.843 1.628 9.921 1.00 0.00 H new ATOM 1385 N PHE A 97 -4.748 -0.503 4.916 1.00 0.00 N ATOM 1386 CA PHE A 97 -5.475 -0.967 3.741 1.00 0.00 C ATOM 1387 C PHE A 97 -5.726 -2.470 3.815 1.00 0.00 C ATOM 1388 O PHE A 97 -4.789 -3.268 3.839 1.00 0.00 O ATOM 1389 CB PHE A 97 -4.696 -0.630 2.467 1.00 0.00 C ATOM 1390 CG PHE A 97 -4.672 0.836 2.149 1.00 0.00 C ATOM 1391 CD1 PHE A 97 -5.743 1.437 1.506 1.00 0.00 C ATOM 1392 CD2 PHE A 97 -3.580 1.616 2.491 1.00 0.00 C ATOM 1393 CE1 PHE A 97 -5.725 2.787 1.211 1.00 0.00 C ATOM 1394 CE2 PHE A 97 -3.556 2.966 2.199 1.00 0.00 C ATOM 1395 CZ PHE A 97 -4.629 3.552 1.558 1.00 0.00 C ATOM 0 H PHE A 97 -3.805 -0.882 5.005 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.438 -0.457 3.715 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.672 -0.987 2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.137 -1.168 1.628 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.602 0.843 1.232 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.737 1.163 2.992 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.566 3.243 0.710 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.698 3.563 2.472 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.611 4.607 1.328 1.00 0.00 H new ATOM 1405 N LYS A 98 -6.999 -2.850 3.851 1.00 0.00 N ATOM 1406 CA LYS A 98 -7.377 -4.257 3.922 1.00 0.00 C ATOM 1407 C LYS A 98 -7.251 -4.923 2.556 1.00 0.00 C ATOM 1408 O LYS A 98 -7.963 -4.572 1.615 1.00 0.00 O ATOM 1409 CB LYS A 98 -8.810 -4.396 4.440 1.00 0.00 C ATOM 1410 CG LYS A 98 -8.955 -4.086 5.920 1.00 0.00 C ATOM 1411 CD LYS A 98 -10.372 -3.659 6.264 1.00 0.00 C ATOM 1412 CE LYS A 98 -11.291 -4.860 6.431 1.00 0.00 C ATOM 1413 NZ LYS A 98 -12.715 -4.509 6.171 1.00 0.00 N ATOM 0 H LYS A 98 -7.787 -2.203 3.832 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.698 -4.756 4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.459 -3.729 3.872 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.157 -5.412 4.255 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.687 -4.966 6.505 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.258 -3.295 6.197 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.364 -3.075 7.184 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.759 -3.010 5.478 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.982 -5.652 5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.193 -5.255 7.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.309 -5.354 6.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.018 -3.771 6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.813 -4.156 5.198 1.00 0.00 H new ATOM 1427 N VAL A 99 -6.342 -5.888 2.454 1.00 0.00 N ATOM 1428 CA VAL A 99 -6.125 -6.605 1.204 1.00 0.00 C ATOM 1429 C VAL A 99 -6.190 -8.113 1.417 1.00 0.00 C ATOM 1430 O VAL A 99 -5.253 -8.719 1.937 1.00 0.00 O ATOM 1431 CB VAL A 99 -4.765 -6.244 0.577 1.00 0.00 C ATOM 1432 CG1 VAL A 99 -4.521 -7.066 -0.679 1.00 0.00 C ATOM 1433 CG2 VAL A 99 -4.698 -4.755 0.272 1.00 0.00 C ATOM 0 H VAL A 99 -5.744 -6.191 3.223 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.921 -6.302 0.524 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.979 -6.480 1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.556 -6.797 -1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.523 -8.126 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.309 -6.865 -1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.731 -4.517 -0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.491 -4.491 -0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.824 -4.189 1.195 1.00 0.00 H new ATOM 1443 N LYS A 100 -7.303 -8.715 1.011 1.00 0.00 N ATOM 1444 CA LYS A 100 -7.491 -10.154 1.155 1.00 0.00 C ATOM 1445 C LYS A 100 -6.836 -10.907 0.002 1.00 0.00 C ATOM 1446 O LYS A 100 -7.402 -11.010 -1.087 1.00 0.00 O ATOM 1447 CB LYS A 100 -8.983 -10.491 1.217 1.00 0.00 C ATOM 1448 CG LYS A 100 -9.265 -11.977 1.348 1.00 0.00 C ATOM 1449 CD LYS A 100 -10.633 -12.336 0.792 1.00 0.00 C ATOM 1450 CE LYS A 100 -10.638 -12.319 -0.728 1.00 0.00 C ATOM 1451 NZ LYS A 100 -11.909 -12.859 -1.285 1.00 0.00 N ATOM 0 H LYS A 100 -8.089 -8.228 0.579 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.016 -10.466 2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.430 -9.969 2.063 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.470 -10.115 0.317 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.497 -12.542 0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -9.210 -12.268 2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.923 -13.325 1.147 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.376 -11.632 1.167 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.492 -11.298 -1.080 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.799 -12.907 -1.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -11.873 -12.830 -2.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -12.036 -13.842 -0.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.707 -12.282 -0.951 1.00 0.00 H new ATOM 1465 N VAL A 101 -5.640 -11.434 0.246 1.00 0.00 N ATOM 1466 CA VAL A 101 -4.910 -12.179 -0.771 1.00 0.00 C ATOM 1467 C VAL A 101 -5.601 -13.502 -1.085 1.00 0.00 C ATOM 1468 O VAL A 101 -6.188 -14.133 -0.204 1.00 0.00 O ATOM 1469 CB VAL A 101 -3.462 -12.461 -0.330 1.00 0.00 C ATOM 1470 CG1 VAL A 101 -2.695 -13.172 -1.435 1.00 0.00 C ATOM 1471 CG2 VAL A 101 -2.765 -11.168 0.067 1.00 0.00 C ATOM 0 H VAL A 101 -5.156 -11.358 1.141 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.894 -11.559 -1.667 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.487 -13.116 0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.674 -13.363 -1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.184 -14.118 -1.667 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.677 -12.545 -2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.743 -11.386 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.750 -10.487 -0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.303 -10.704 0.894 1.00 0.00 H new ATOM 1481 N LEU A 102 -5.526 -13.918 -2.344 1.00 0.00 N ATOM 1482 CA LEU A 102 -6.144 -15.167 -2.776 1.00 0.00 C ATOM 1483 C LEU A 102 -5.083 -16.196 -3.155 1.00 0.00 C ATOM 1484 O LEU A 102 -3.957 -15.858 -3.519 1.00 0.00 O ATOM 1485 CB LEU A 102 -7.075 -14.916 -3.962 1.00 0.00 C ATOM 1486 CG LEU A 102 -8.399 -14.222 -3.642 1.00 0.00 C ATOM 1487 CD1 LEU A 102 -9.065 -13.728 -4.916 1.00 0.00 C ATOM 1488 CD2 LEU A 102 -9.324 -15.163 -2.884 1.00 0.00 C ATOM 0 H LEU A 102 -5.043 -13.409 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.727 -15.562 -1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.540 -14.313 -4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.295 -15.873 -4.434 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.191 -13.360 -3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.006 -13.237 -4.668 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.407 -13.019 -5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.260 -14.573 -5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.262 -14.653 -2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.525 -16.045 -3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.849 -15.467 -1.951 1.00 0.00 H new ATOM 1500 N PRO A 103 -5.451 -17.484 -3.071 1.00 0.00 N ATOM 1501 CA PRO A 103 -4.547 -18.588 -3.403 1.00 0.00 C ATOM 1502 C PRO A 103 -4.255 -18.668 -4.898 1.00 0.00 C ATOM 1503 O PRO A 103 -5.168 -18.806 -5.713 1.00 0.00 O ATOM 1504 CB PRO A 103 -5.317 -19.828 -2.942 1.00 0.00 C ATOM 1505 CG PRO A 103 -6.749 -19.423 -2.987 1.00 0.00 C ATOM 1506 CD PRO A 103 -6.777 -17.960 -2.644 1.00 0.00 C ATOM 0 HA PRO A 103 -3.572 -18.474 -2.928 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.125 -20.679 -3.596 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.021 -20.126 -1.936 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.174 -19.600 -3.975 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.341 -20.001 -2.277 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.579 -17.440 -3.168 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.937 -17.800 -1.578 1.00 0.00 H new ATOM 1514 N THR A 104 -2.976 -18.580 -5.252 1.00 0.00 N ATOM 1515 CA THR A 104 -2.564 -18.642 -6.649 1.00 0.00 C ATOM 1516 C THR A 104 -3.466 -19.575 -7.448 1.00 0.00 C ATOM 1517 O THR A 104 -3.765 -19.319 -8.614 1.00 0.00 O ATOM 1518 CB THR A 104 -1.106 -19.117 -6.783 1.00 0.00 C ATOM 1519 OG1 THR A 104 -0.230 -18.212 -6.101 1.00 0.00 O ATOM 1520 CG2 THR A 104 -0.701 -19.214 -8.247 1.00 0.00 C ATOM 0 H THR A 104 -2.208 -18.466 -4.590 1.00 0.00 H new ATOM 0 HA THR A 104 -2.648 -17.631 -7.048 1.00 0.00 H new ATOM 0 HB THR A 104 -1.028 -20.107 -6.333 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.545 -17.293 -6.229 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.333 -19.551 -8.317 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.350 -19.925 -8.758 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.796 -18.235 -8.716 1.00 0.00 H new ATOM 1528 N TYR A 105 -3.900 -20.658 -6.813 1.00 0.00 N ATOM 1529 CA TYR A 105 -4.768 -21.631 -7.465 1.00 0.00 C ATOM 1530 C TYR A 105 -6.234 -21.234 -7.327 1.00 0.00 C ATOM 1531 O TYR A 105 -6.813 -21.324 -6.245 1.00 0.00 O ATOM 1532 CB TYR A 105 -4.546 -23.023 -6.870 1.00 0.00 C ATOM 1533 CG TYR A 105 -3.182 -23.601 -7.170 1.00 0.00 C ATOM 1534 CD1 TYR A 105 -2.042 -23.095 -6.557 1.00 0.00 C ATOM 1535 CD2 TYR A 105 -3.032 -24.651 -8.067 1.00 0.00 C ATOM 1536 CE1 TYR A 105 -0.793 -23.619 -6.828 1.00 0.00 C ATOM 1537 CE2 TYR A 105 -1.787 -25.182 -8.344 1.00 0.00 C ATOM 1538 CZ TYR A 105 -0.671 -24.662 -7.722 1.00 0.00 C ATOM 1539 OH TYR A 105 0.571 -25.188 -7.995 1.00 0.00 O ATOM 0 H TYR A 105 -3.665 -20.884 -5.847 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.515 -21.652 -8.525 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.680 -22.972 -5.789 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -5.310 -23.699 -7.254 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.134 -22.278 -5.857 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -3.904 -25.059 -8.556 1.00 0.00 H new ATOM 0 HE1 TYR A 105 0.083 -23.214 -6.343 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -1.688 -25.999 -9.043 1.00 0.00 H new ATOM 0 HH TYR A 105 0.482 -25.917 -8.644 1.00 0.00 H new ATOM 1549 N ASP A 106 -6.827 -20.793 -8.431 1.00 0.00 N ATOM 1550 CA ASP A 106 -8.226 -20.383 -8.435 1.00 0.00 C ATOM 1551 C ASP A 106 -9.060 -21.301 -9.322 1.00 0.00 C ATOM 1552 O ASP A 106 -9.253 -21.028 -10.507 1.00 0.00 O ATOM 1553 CB ASP A 106 -8.354 -18.936 -8.914 1.00 0.00 C ATOM 1554 CG ASP A 106 -7.902 -17.937 -7.867 1.00 0.00 C ATOM 1555 OD1 ASP A 106 -8.627 -17.760 -6.864 1.00 0.00 O ATOM 1556 OD2 ASP A 106 -6.825 -17.333 -8.048 1.00 0.00 O ATOM 0 H ASP A 106 -6.361 -20.710 -9.334 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.602 -20.455 -7.415 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.762 -18.802 -9.819 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.392 -18.735 -9.180 1.00 0.00 H new ATOM 1561 N ALA A 107 -9.551 -22.391 -8.742 1.00 0.00 N ATOM 1562 CA ALA A 107 -10.364 -23.349 -9.481 1.00 0.00 C ATOM 1563 C ALA A 107 -11.839 -22.965 -9.438 1.00 0.00 C ATOM 1564 O ALA A 107 -12.709 -23.821 -9.273 1.00 0.00 O ATOM 1565 CB ALA A 107 -10.165 -24.750 -8.922 1.00 0.00 C ATOM 0 H ALA A 107 -9.400 -22.633 -7.763 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.042 -23.335 -10.522 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -10.778 -25.456 -9.483 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -9.116 -25.031 -9.010 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -10.459 -24.768 -7.873 1.00 0.00 H new ATOM 1571 N SER A 108 -12.114 -21.673 -9.586 1.00 0.00 N ATOM 1572 CA SER A 108 -13.485 -21.175 -9.560 1.00 0.00 C ATOM 1573 C SER A 108 -14.288 -21.734 -10.731 1.00 0.00 C ATOM 1574 O SER A 108 -13.758 -22.461 -11.569 1.00 0.00 O ATOM 1575 CB SER A 108 -13.495 -19.646 -9.603 1.00 0.00 C ATOM 1576 OG SER A 108 -12.919 -19.099 -8.430 1.00 0.00 O ATOM 0 H SER A 108 -11.406 -20.952 -9.725 1.00 0.00 H new ATOM 0 HA SER A 108 -13.949 -21.508 -8.632 1.00 0.00 H new ATOM 0 HB2 SER A 108 -12.944 -19.300 -10.478 1.00 0.00 H new ATOM 0 HB3 SER A 108 -14.519 -19.289 -9.710 1.00 0.00 H new ATOM 0 HG SER A 108 -12.936 -18.121 -8.483 1.00 0.00 H new TER 1582 SER A 108