USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 927 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 48 GLN :FLIP amide:sc= 0.00403 F(o=-1,f=-0.032) USER MOD Set 1.2: A 76 ASN :FLIP amide:sc= -0.0356 F(o=-1,f=-0.032) USER MOD Set 2.1: A 18 MET CE :methyl -171:sc= -0.34 (180deg=-0.628) USER MOD Set 2.2: A 56 CYS SG : rot 180:sc= -0.0483 USER MOD Set 2.3: A 60 SER OG : rot 81:sc= 0.694 USER MOD Set 3.1: A 5 HIS : no HD1:sc= 0.163 K(o=0.068,f=-2.2) USER MOD Set 3.2: A 11 MET CE :methyl -106:sc= -0.0946 (180deg=-0.581) USER MOD Single : A 1 MET CE :methyl 167:sc= -0.052 (180deg=-0.299) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0119 (180deg=-0.199) USER MOD Single : A 3 HIS : no HD1:sc= -0.0898 X(o=-0.09,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc=-0.00765 X(o=-0.0077,f=-0.012) USER MOD Single : A 9 SER OG : rot 27:sc= 0.25 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0289 USER MOD Single : A 17 GLN : amide:sc= 0.129 K(o=0.13,f=-2.4) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 73:sc= 0.6 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -51:sc= 0.333 USER MOD Single : A 43 SER OG : rot -21:sc= 0.404 USER MOD Single : A 46 HIS : no HD1:sc= -2.7 K(o=-2.7,f=-4.7!) USER MOD Single : A 47 HIS : no HD1:sc= -0.421 K(o=-0.42,f=-1.3) USER MOD Single : A 58 THR OG1 : rot 80:sc= 0.688 USER MOD Single : A 59 LYS NZ :NH3+ 149:sc= 1.07 (180deg=0.406) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0991 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.257 USER MOD Single : A 69 TYR OH : rot -21:sc= -0.402 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.0354 X(o=-0.035,f=-0.044) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -160:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -73:sc= 0.931 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 101 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00667) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot -58:sc= 0.197 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.288 19.162 0.807 1.00 23.52 N ATOM 2 CA MET A 1 18.299 18.181 1.270 1.00 21.24 C ATOM 3 C MET A 1 18.170 18.010 2.796 1.00 22.43 C ATOM 4 O MET A 1 18.912 18.630 3.575 1.00 14.34 O ATOM 5 CB MET A 1 19.735 18.634 0.862 1.00 52.21 C ATOM 6 CG MET A 1 19.949 18.829 -0.649 1.00 1.30 C ATOM 7 SD MET A 1 21.597 19.472 -1.053 1.00 30.11 S ATOM 8 CE MET A 1 22.681 18.181 -0.430 1.00 31.24 C ATOM 0 H1 MET A 1 17.227 19.135 -0.231 1.00 23.52 H new ATOM 0 H2 MET A 1 16.361 18.924 1.214 1.00 23.52 H new ATOM 0 H3 MET A 1 17.565 20.117 1.112 1.00 23.52 H new ATOM 0 HA MET A 1 18.121 17.217 0.793 1.00 21.24 H new ATOM 0 HB2 MET A 1 19.962 19.571 1.370 1.00 52.21 H new ATOM 0 HB3 MET A 1 20.450 17.894 1.223 1.00 52.21 H new ATOM 0 HG2 MET A 1 19.802 17.876 -1.157 1.00 1.30 H new ATOM 0 HG3 MET A 1 19.193 19.515 -1.032 1.00 1.30 H new ATOM 0 HE1 MET A 1 23.689 18.336 -0.814 1.00 31.24 H new ATOM 0 HE2 MET A 1 22.698 18.215 0.659 1.00 31.24 H new ATOM 0 HE3 MET A 1 22.314 17.208 -0.757 1.00 31.24 H new ATOM 20 N GLY A 2 17.177 17.199 3.207 1.00 42.55 N ATOM 21 CA GLY A 2 16.872 16.964 4.621 1.00 44.33 C ATOM 22 C GLY A 2 15.871 17.981 5.174 1.00 33.43 C ATOM 23 O GLY A 2 16.043 19.192 4.984 1.00 61.21 O ATOM 0 H GLY A 2 16.568 16.692 2.565 1.00 42.55 H new ATOM 0 HA2 GLY A 2 16.469 15.958 4.742 1.00 44.33 H new ATOM 0 HA3 GLY A 2 17.793 17.011 5.202 1.00 44.33 H new ATOM 27 N HIS A 3 14.821 17.486 5.854 1.00 2.43 N ATOM 28 CA HIS A 3 13.764 18.334 6.439 1.00 51.14 C ATOM 29 C HIS A 3 14.166 18.769 7.859 1.00 44.21 C ATOM 30 O HIS A 3 14.549 17.923 8.675 1.00 33.41 O ATOM 31 CB HIS A 3 12.401 17.572 6.526 1.00 1.11 C ATOM 32 CG HIS A 3 11.841 17.023 5.228 1.00 53.34 C ATOM 33 ND1 HIS A 3 10.522 17.190 4.851 1.00 32.20 N ATOM 34 CD2 HIS A 3 12.392 16.223 4.280 1.00 14.13 C ATOM 35 CE1 HIS A 3 10.290 16.517 3.740 1.00 40.33 C ATOM 36 NE2 HIS A 3 11.408 15.917 3.370 1.00 0.13 N ATOM 0 H HIS A 3 14.681 16.488 6.014 1.00 2.43 H new ATOM 0 HA HIS A 3 13.646 19.202 5.790 1.00 51.14 H new ATOM 0 HB2 HIS A 3 12.519 16.742 7.223 1.00 1.11 H new ATOM 0 HB3 HIS A 3 11.661 18.247 6.957 1.00 1.11 H new ATOM 0 HD2 HIS A 3 13.418 15.887 4.247 1.00 14.13 H new ATOM 0 HE1 HIS A 3 9.345 16.465 3.220 1.00 40.33 H new ATOM 0 HE2 HIS A 3 11.522 15.326 2.547 1.00 0.13 H new ATOM 45 N HIS A 4 14.089 20.080 8.151 1.00 35.05 N ATOM 46 CA HIS A 4 14.075 20.567 9.542 1.00 2.11 C ATOM 47 C HIS A 4 12.651 20.354 10.084 1.00 23.40 C ATOM 48 O HIS A 4 11.760 21.180 9.872 1.00 51.01 O ATOM 49 CB HIS A 4 14.537 22.052 9.641 1.00 63.24 C ATOM 50 CG HIS A 4 16.018 22.241 9.389 1.00 15.22 C ATOM 51 ND1 HIS A 4 16.536 22.892 8.285 1.00 32.23 N ATOM 52 CD2 HIS A 4 17.094 21.844 10.116 1.00 50.21 C ATOM 53 CE1 HIS A 4 17.857 22.878 8.345 1.00 53.11 C ATOM 54 NE2 HIS A 4 18.220 22.247 9.443 1.00 1.23 N ATOM 0 H HIS A 4 14.036 20.817 7.447 1.00 35.05 H new ATOM 0 HA HIS A 4 14.788 20.010 10.150 1.00 2.11 H new ATOM 0 HB2 HIS A 4 13.975 22.648 8.922 1.00 63.24 H new ATOM 0 HB3 HIS A 4 14.293 22.435 10.632 1.00 63.24 H new ATOM 0 HD2 HIS A 4 17.068 21.308 11.053 1.00 50.21 H new ATOM 0 HE1 HIS A 4 18.526 23.311 7.616 1.00 53.11 H new ATOM 0 HE2 HIS A 4 19.181 22.085 9.744 1.00 1.23 H new ATOM 63 N HIS A 5 12.437 19.179 10.709 1.00 71.52 N ATOM 64 CA HIS A 5 11.097 18.685 11.079 1.00 63.21 C ATOM 65 C HIS A 5 10.919 18.696 12.614 1.00 12.45 C ATOM 66 O HIS A 5 10.914 17.645 13.272 1.00 54.54 O ATOM 67 CB HIS A 5 10.875 17.266 10.452 1.00 11.42 C ATOM 68 CG HIS A 5 9.466 16.710 10.576 1.00 64.40 C ATOM 69 ND1 HIS A 5 9.161 15.550 11.260 1.00 54.30 N ATOM 70 CD2 HIS A 5 8.290 17.140 10.053 1.00 2.41 C ATOM 71 CE1 HIS A 5 7.870 15.299 11.154 1.00 73.25 C ATOM 72 NE2 HIS A 5 7.319 16.246 10.427 1.00 4.41 N ATOM 0 H HIS A 5 13.191 18.545 10.972 1.00 71.52 H new ATOM 0 HA HIS A 5 10.331 19.348 10.676 1.00 63.21 H new ATOM 0 HB2 HIS A 5 11.138 17.310 9.395 1.00 11.42 H new ATOM 0 HB3 HIS A 5 11.566 16.567 10.924 1.00 11.42 H new ATOM 0 HD2 HIS A 5 8.145 18.025 9.452 1.00 2.41 H new ATOM 0 HE1 HIS A 5 7.353 14.457 11.591 1.00 73.25 H new ATOM 0 HE2 HIS A 5 6.331 16.306 10.181 1.00 4.41 H new ATOM 81 N HIS A 6 10.858 19.921 13.183 1.00 1.35 N ATOM 82 CA HIS A 6 10.302 20.147 14.534 1.00 60.41 C ATOM 83 C HIS A 6 8.765 20.145 14.394 1.00 42.40 C ATOM 84 O HIS A 6 8.248 20.737 13.435 1.00 42.14 O ATOM 85 CB HIS A 6 10.791 21.486 15.157 1.00 11.12 C ATOM 86 CG HIS A 6 12.271 21.549 15.479 1.00 50.44 C ATOM 87 ND1 HIS A 6 12.764 21.464 16.767 1.00 25.31 N ATOM 88 CD2 HIS A 6 13.357 21.724 14.683 1.00 61.32 C ATOM 89 CE1 HIS A 6 14.079 21.589 16.745 1.00 22.00 C ATOM 90 NE2 HIS A 6 14.464 21.748 15.494 1.00 4.44 N ATOM 0 H HIS A 6 11.189 20.770 12.725 1.00 1.35 H new ATOM 0 HA HIS A 6 10.642 19.360 15.207 1.00 60.41 H new ATOM 0 HB2 HIS A 6 10.551 22.297 14.469 1.00 11.12 H new ATOM 0 HB3 HIS A 6 10.229 21.668 16.073 1.00 11.12 H new ATOM 0 HD2 HIS A 6 13.351 21.826 13.608 1.00 61.32 H new ATOM 0 HE1 HIS A 6 14.729 21.565 17.607 1.00 22.00 H new ATOM 0 HE2 HIS A 6 15.427 21.869 15.180 1.00 4.44 H new ATOM 99 N HIS A 7 8.068 19.493 15.352 1.00 70.14 N ATOM 100 CA HIS A 7 6.620 19.131 15.269 1.00 5.34 C ATOM 101 C HIS A 7 6.394 17.967 14.278 1.00 0.51 C ATOM 102 O HIS A 7 7.236 17.688 13.411 1.00 62.12 O ATOM 103 CB HIS A 7 5.674 20.327 14.914 1.00 21.52 C ATOM 104 CG HIS A 7 5.568 21.395 15.974 1.00 25.51 C ATOM 105 ND1 HIS A 7 4.364 21.861 16.458 1.00 0.25 N ATOM 106 CD2 HIS A 7 6.521 22.117 16.614 1.00 61.53 C ATOM 107 CE1 HIS A 7 4.581 22.816 17.338 1.00 41.12 C ATOM 108 NE2 HIS A 7 5.880 22.988 17.453 1.00 22.21 N ATOM 0 H HIS A 7 8.499 19.194 16.227 1.00 70.14 H new ATOM 0 HA HIS A 7 6.349 18.817 16.277 1.00 5.34 H new ATOM 0 HB2 HIS A 7 6.026 20.787 13.991 1.00 21.52 H new ATOM 0 HB3 HIS A 7 4.677 19.935 14.715 1.00 21.52 H new ATOM 0 HD2 HIS A 7 7.589 22.022 16.485 1.00 61.53 H new ATOM 0 HE1 HIS A 7 3.821 23.365 17.874 1.00 41.12 H new ATOM 0 HE2 HIS A 7 6.336 23.662 18.068 1.00 22.21 H new ATOM 117 N HIS A 8 5.235 17.298 14.425 1.00 52.03 N ATOM 118 CA HIS A 8 4.821 16.186 13.550 1.00 70.41 C ATOM 119 C HIS A 8 3.280 16.134 13.443 1.00 43.34 C ATOM 120 O HIS A 8 2.589 16.341 14.449 1.00 5.21 O ATOM 121 CB HIS A 8 5.401 14.824 14.057 1.00 53.54 C ATOM 122 CG HIS A 8 5.012 14.399 15.457 1.00 21.40 C ATOM 123 ND1 HIS A 8 5.917 14.340 16.493 1.00 23.53 N ATOM 124 CD2 HIS A 8 3.832 13.966 15.978 1.00 74.22 C ATOM 125 CE1 HIS A 8 5.318 13.893 17.577 1.00 53.42 C ATOM 126 NE2 HIS A 8 4.053 13.660 17.292 1.00 24.05 N ATOM 0 H HIS A 8 4.558 17.515 15.156 1.00 52.03 H new ATOM 0 HA HIS A 8 5.227 16.362 12.554 1.00 70.41 H new ATOM 0 HB2 HIS A 8 5.088 14.042 13.365 1.00 53.54 H new ATOM 0 HB3 HIS A 8 6.489 14.878 14.007 1.00 53.54 H new ATOM 0 HD2 HIS A 8 2.893 13.880 15.451 1.00 74.22 H new ATOM 0 HE1 HIS A 8 5.785 13.743 18.539 1.00 53.42 H new ATOM 0 HE2 HIS A 8 3.353 13.309 17.945 1.00 24.05 H new ATOM 135 N SER A 9 2.774 15.915 12.206 1.00 2.43 N ATOM 136 CA SER A 9 1.346 15.622 11.887 1.00 32.31 C ATOM 137 C SER A 9 0.333 16.788 12.138 1.00 33.31 C ATOM 138 O SER A 9 -0.739 16.793 11.524 1.00 43.35 O ATOM 139 CB SER A 9 0.883 14.310 12.573 1.00 65.33 C ATOM 140 OG SER A 9 1.652 13.193 12.133 1.00 21.14 O ATOM 0 H SER A 9 3.362 15.937 11.373 1.00 2.43 H new ATOM 0 HA SER A 9 1.331 15.495 10.805 1.00 32.31 H new ATOM 0 HB2 SER A 9 0.973 14.412 13.655 1.00 65.33 H new ATOM 0 HB3 SER A 9 -0.171 14.136 12.356 1.00 65.33 H new ATOM 0 HG SER A 9 2.542 13.497 11.856 1.00 21.14 H new ATOM 146 N HIS A 10 0.637 17.772 13.022 1.00 32.22 N ATOM 147 CA HIS A 10 -0.150 19.029 13.118 1.00 11.24 C ATOM 148 C HIS A 10 0.488 20.016 12.124 1.00 41.21 C ATOM 149 O HIS A 10 1.054 21.057 12.480 1.00 72.05 O ATOM 150 CB HIS A 10 -0.188 19.578 14.575 1.00 13.51 C ATOM 151 CG HIS A 10 -1.167 20.717 14.788 1.00 15.02 C ATOM 152 ND1 HIS A 10 -2.467 20.524 15.211 1.00 35.35 N ATOM 153 CD2 HIS A 10 -1.030 22.059 14.627 1.00 51.52 C ATOM 154 CE1 HIS A 10 -3.080 21.689 15.293 1.00 62.51 C ATOM 155 NE2 HIS A 10 -2.231 22.631 14.947 1.00 3.44 N ATOM 0 H HIS A 10 1.418 17.720 13.676 1.00 32.22 H new ATOM 0 HA HIS A 10 -1.196 18.861 12.862 1.00 11.24 H new ATOM 0 HB2 HIS A 10 -0.445 18.763 15.251 1.00 13.51 H new ATOM 0 HB3 HIS A 10 0.811 19.917 14.849 1.00 13.51 H new ATOM 0 HD2 HIS A 10 -0.139 22.578 14.306 1.00 51.52 H new ATOM 0 HE1 HIS A 10 -4.106 21.843 15.594 1.00 62.51 H new ATOM 0 HE2 HIS A 10 -2.435 23.630 14.921 1.00 3.44 H new ATOM 164 N MET A 11 0.426 19.594 10.859 1.00 22.21 N ATOM 165 CA MET A 11 1.175 20.152 9.727 1.00 72.43 C ATOM 166 C MET A 11 0.228 20.150 8.497 1.00 22.31 C ATOM 167 O MET A 11 -0.769 19.411 8.518 1.00 63.43 O ATOM 168 CB MET A 11 2.464 19.289 9.492 1.00 45.21 C ATOM 169 CG MET A 11 3.478 19.301 10.654 1.00 5.10 C ATOM 170 SD MET A 11 5.011 18.421 10.279 1.00 52.25 S ATOM 171 CE MET A 11 5.674 19.412 8.939 1.00 24.03 C ATOM 0 H MET A 11 -0.175 18.818 10.582 1.00 22.21 H new ATOM 0 HA MET A 11 1.503 21.174 9.914 1.00 72.43 H new ATOM 0 HB2 MET A 11 2.163 18.258 9.303 1.00 45.21 H new ATOM 0 HB3 MET A 11 2.963 19.646 8.591 1.00 45.21 H new ATOM 0 HG2 MET A 11 3.714 20.334 10.910 1.00 5.10 H new ATOM 0 HG3 MET A 11 3.016 18.853 11.534 1.00 5.10 H new ATOM 0 HE1 MET A 11 5.550 18.879 7.996 1.00 24.03 H new ATOM 0 HE2 MET A 11 5.142 20.362 8.891 1.00 24.03 H new ATOM 0 HE3 MET A 11 6.734 19.598 9.114 1.00 24.03 H new ATOM 181 N PRO A 12 0.507 20.949 7.406 1.00 55.22 N ATOM 182 CA PRO A 12 -0.500 21.217 6.340 1.00 34.31 C ATOM 183 C PRO A 12 -0.961 19.954 5.570 1.00 72.21 C ATOM 184 O PRO A 12 -0.156 19.041 5.300 1.00 31.43 O ATOM 185 CB PRO A 12 0.234 22.208 5.395 1.00 72.01 C ATOM 186 CG PRO A 12 1.689 21.937 5.619 1.00 14.00 C ATOM 187 CD PRO A 12 1.804 21.625 7.095 1.00 72.02 C ATOM 0 HA PRO A 12 -1.426 21.606 6.765 1.00 34.31 H new ATOM 0 HB2 PRO A 12 -0.044 22.043 4.354 1.00 72.01 H new ATOM 0 HB3 PRO A 12 -0.018 23.242 5.632 1.00 72.01 H new ATOM 0 HG2 PRO A 12 2.033 21.101 5.010 1.00 14.00 H new ATOM 0 HG3 PRO A 12 2.298 22.800 5.349 1.00 14.00 H new ATOM 0 HD2 PRO A 12 2.655 20.977 7.304 1.00 72.02 H new ATOM 0 HD3 PRO A 12 1.938 22.530 7.688 1.00 72.02 H new ATOM 195 N LYS A 13 -2.282 19.931 5.260 1.00 2.25 N ATOM 196 CA LYS A 13 -2.909 18.992 4.303 1.00 64.00 C ATOM 197 C LYS A 13 -2.866 17.532 4.799 1.00 11.13 C ATOM 198 O LYS A 13 -2.586 17.259 5.974 1.00 13.52 O ATOM 199 CB LYS A 13 -2.222 19.135 2.905 1.00 63.42 C ATOM 200 CG LYS A 13 -2.301 20.558 2.304 1.00 24.42 C ATOM 201 CD LYS A 13 -1.391 20.756 1.072 1.00 75.31 C ATOM 202 CE LYS A 13 -1.754 19.842 -0.112 1.00 62.44 C ATOM 203 NZ LYS A 13 -0.875 20.094 -1.283 1.00 55.44 N ATOM 0 H LYS A 13 -2.951 20.578 5.677 1.00 2.25 H new ATOM 0 HA LYS A 13 -3.964 19.253 4.215 1.00 64.00 H new ATOM 0 HB2 LYS A 13 -1.174 18.849 2.996 1.00 63.42 H new ATOM 0 HB3 LYS A 13 -2.685 18.433 2.211 1.00 63.42 H new ATOM 0 HG2 LYS A 13 -3.333 20.768 2.022 1.00 24.42 H new ATOM 0 HG3 LYS A 13 -2.026 21.283 3.070 1.00 24.42 H new ATOM 0 HD2 LYS A 13 -1.450 21.796 0.750 1.00 75.31 H new ATOM 0 HD3 LYS A 13 -0.356 20.570 1.361 1.00 75.31 H new ATOM 0 HE2 LYS A 13 -1.667 18.799 0.192 1.00 62.44 H new ATOM 0 HE3 LYS A 13 -2.794 20.006 -0.394 1.00 62.44 H new ATOM 0 HZ1 LYS A 13 -1.146 19.462 -2.063 1.00 55.44 H new ATOM 0 HZ2 LYS A 13 -0.977 21.083 -1.587 1.00 55.44 H new ATOM 0 HZ3 LYS A 13 0.115 19.914 -1.019 1.00 55.44 H new ATOM 217 N ALA A 14 -3.210 16.606 3.890 1.00 32.14 N ATOM 218 CA ALA A 14 -2.952 15.174 4.069 1.00 62.44 C ATOM 219 C ALA A 14 -1.449 14.885 3.880 1.00 32.30 C ATOM 220 O ALA A 14 -0.930 13.993 4.513 1.00 72.24 O ATOM 221 CB ALA A 14 -3.795 14.350 3.077 1.00 4.33 C ATOM 0 H ALA A 14 -3.675 16.832 3.011 1.00 32.14 H new ATOM 0 HA ALA A 14 -3.238 14.884 5.080 1.00 62.44 H new ATOM 0 HB1 ALA A 14 -3.593 13.289 3.222 1.00 4.33 H new ATOM 0 HB2 ALA A 14 -4.853 14.545 3.250 1.00 4.33 H new ATOM 0 HB3 ALA A 14 -3.536 14.633 2.057 1.00 4.33 H new ATOM 227 N THR A 15 -0.771 15.723 3.056 1.00 54.53 N ATOM 228 CA THR A 15 0.624 15.521 2.570 1.00 63.50 C ATOM 229 C THR A 15 1.610 15.059 3.679 1.00 72.34 C ATOM 230 O THR A 15 2.169 13.947 3.602 1.00 21.14 O ATOM 231 CB THR A 15 1.130 16.860 1.923 1.00 71.31 C ATOM 232 OG1 THR A 15 0.192 17.282 0.919 1.00 71.51 O ATOM 233 CG2 THR A 15 2.533 16.749 1.286 1.00 31.35 C ATOM 0 H THR A 15 -1.188 16.583 2.699 1.00 54.53 H new ATOM 0 HA THR A 15 0.600 14.715 1.837 1.00 63.50 H new ATOM 0 HB THR A 15 1.207 17.588 2.730 1.00 71.31 H new ATOM 0 HG1 THR A 15 0.502 18.118 0.513 1.00 71.51 H new ATOM 0 HG21 THR A 15 2.816 17.711 0.859 1.00 31.35 H new ATOM 0 HG22 THR A 15 3.257 16.463 2.049 1.00 31.35 H new ATOM 0 HG23 THR A 15 2.517 15.994 0.500 1.00 31.35 H new ATOM 241 N ALA A 16 1.761 15.900 4.724 1.00 31.15 N ATOM 242 CA ALA A 16 2.719 15.667 5.823 1.00 74.12 C ATOM 243 C ALA A 16 2.319 14.441 6.667 1.00 22.12 C ATOM 244 O ALA A 16 3.122 13.518 6.858 1.00 34.30 O ATOM 245 CB ALA A 16 2.828 16.928 6.701 1.00 3.31 C ATOM 0 H ALA A 16 1.222 16.759 4.829 1.00 31.15 H new ATOM 0 HA ALA A 16 3.696 15.456 5.388 1.00 74.12 H new ATOM 0 HB1 ALA A 16 3.537 16.748 7.510 1.00 3.31 H new ATOM 0 HB2 ALA A 16 3.174 17.765 6.094 1.00 3.31 H new ATOM 0 HB3 ALA A 16 1.850 17.164 7.121 1.00 3.31 H new ATOM 251 N GLN A 17 1.046 14.435 7.114 1.00 72.02 N ATOM 252 CA GLN A 17 0.491 13.396 8.016 1.00 11.20 C ATOM 253 C GLN A 17 0.626 12.004 7.378 1.00 22.25 C ATOM 254 O GLN A 17 1.175 11.074 7.976 1.00 54.45 O ATOM 255 CB GLN A 17 -1.009 13.678 8.305 1.00 74.20 C ATOM 256 CG GLN A 17 -1.339 15.123 8.724 1.00 0.03 C ATOM 257 CD GLN A 17 -2.830 15.345 8.983 1.00 23.33 C ATOM 258 OE1 GLN A 17 -3.681 14.664 8.410 1.00 34.43 O ATOM 259 NE2 GLN A 17 -3.158 16.308 9.828 1.00 3.54 N ATOM 0 H GLN A 17 0.368 15.153 6.860 1.00 72.02 H new ATOM 0 HA GLN A 17 1.053 13.422 8.950 1.00 11.20 H new ATOM 0 HB2 GLN A 17 -1.586 13.435 7.412 1.00 74.20 H new ATOM 0 HB3 GLN A 17 -1.343 13.003 9.093 1.00 74.20 H new ATOM 0 HG2 GLN A 17 -0.779 15.371 9.625 1.00 0.03 H new ATOM 0 HG3 GLN A 17 -1.006 15.807 7.943 1.00 0.03 H new ATOM 0 HE21 GLN A 17 -2.429 16.854 10.287 1.00 3.54 H new ATOM 0 HE22 GLN A 17 -4.140 16.504 10.021 1.00 3.54 H new ATOM 268 N MET A 18 0.118 11.921 6.137 1.00 43.52 N ATOM 269 CA MET A 18 0.165 10.729 5.283 1.00 2.14 C ATOM 270 C MET A 18 1.607 10.257 5.103 1.00 3.14 C ATOM 271 O MET A 18 1.869 9.080 5.281 1.00 10.03 O ATOM 272 CB MET A 18 -0.505 11.037 3.908 1.00 44.33 C ATOM 273 CG MET A 18 -0.571 9.872 2.893 1.00 13.23 C ATOM 274 SD MET A 18 1.014 9.475 2.118 1.00 23.51 S ATOM 275 CE MET A 18 1.399 10.995 1.250 1.00 44.11 C ATOM 0 H MET A 18 -0.351 12.708 5.689 1.00 43.52 H new ATOM 0 HA MET A 18 -0.390 9.923 5.763 1.00 2.14 H new ATOM 0 HB2 MET A 18 -1.521 11.384 4.094 1.00 44.33 H new ATOM 0 HB3 MET A 18 0.034 11.863 3.444 1.00 44.33 H new ATOM 0 HG2 MET A 18 -0.948 8.984 3.400 1.00 13.23 H new ATOM 0 HG3 MET A 18 -1.291 10.124 2.114 1.00 13.23 H new ATOM 0 HE1 MET A 18 2.263 10.837 0.604 1.00 44.11 H new ATOM 0 HE2 MET A 18 0.544 11.295 0.645 1.00 44.11 H new ATOM 0 HE3 MET A 18 1.625 11.779 1.972 1.00 44.11 H new ATOM 285 N GLU A 19 2.534 11.196 4.778 1.00 13.54 N ATOM 286 CA GLU A 19 3.974 10.873 4.602 1.00 44.30 C ATOM 287 C GLU A 19 4.552 10.162 5.843 1.00 34.44 C ATOM 288 O GLU A 19 5.219 9.133 5.728 1.00 34.11 O ATOM 289 CB GLU A 19 4.813 12.152 4.321 1.00 12.24 C ATOM 290 CG GLU A 19 6.330 11.889 4.124 1.00 34.31 C ATOM 291 CD GLU A 19 7.181 13.161 4.030 1.00 61.24 C ATOM 292 OE1 GLU A 19 7.113 13.854 2.997 1.00 3.11 O ATOM 293 OE2 GLU A 19 7.930 13.475 4.985 1.00 11.22 O ATOM 0 H GLU A 19 2.310 12.180 4.633 1.00 13.54 H new ATOM 0 HA GLU A 19 4.037 10.204 3.744 1.00 44.30 H new ATOM 0 HB2 GLU A 19 4.422 12.640 3.429 1.00 12.24 H new ATOM 0 HB3 GLU A 19 4.681 12.848 5.149 1.00 12.24 H new ATOM 0 HG2 GLU A 19 6.693 11.283 4.954 1.00 34.31 H new ATOM 0 HG3 GLU A 19 6.471 11.303 3.216 1.00 34.31 H new ATOM 300 N GLU A 20 4.276 10.735 7.018 1.00 53.05 N ATOM 301 CA GLU A 20 4.824 10.259 8.301 1.00 73.45 C ATOM 302 C GLU A 20 4.262 8.870 8.687 1.00 10.31 C ATOM 303 O GLU A 20 5.030 7.949 9.034 1.00 74.13 O ATOM 304 CB GLU A 20 4.534 11.325 9.381 1.00 72.52 C ATOM 305 CG GLU A 20 5.231 12.687 9.103 1.00 53.20 C ATOM 306 CD GLU A 20 4.749 13.840 10.002 1.00 70.22 C ATOM 307 OE1 GLU A 20 4.544 13.606 11.204 1.00 64.34 O ATOM 308 OE2 GLU A 20 4.590 14.988 9.517 1.00 64.42 O ATOM 0 H GLU A 20 3.664 11.546 7.111 1.00 53.05 H new ATOM 0 HA GLU A 20 5.902 10.124 8.210 1.00 73.45 H new ATOM 0 HB2 GLU A 20 3.457 11.482 9.447 1.00 72.52 H new ATOM 0 HB3 GLU A 20 4.861 10.949 10.350 1.00 72.52 H new ATOM 0 HG2 GLU A 20 6.306 12.565 9.234 1.00 53.20 H new ATOM 0 HG3 GLU A 20 5.066 12.961 8.061 1.00 53.20 H new ATOM 315 N LYS A 21 2.926 8.716 8.573 1.00 51.13 N ATOM 316 CA LYS A 21 2.234 7.439 8.868 1.00 3.31 C ATOM 317 C LYS A 21 2.655 6.348 7.866 1.00 43.44 C ATOM 318 O LYS A 21 2.771 5.184 8.237 1.00 33.35 O ATOM 319 CB LYS A 21 0.691 7.612 8.828 1.00 71.25 C ATOM 320 CG LYS A 21 0.123 8.650 9.820 1.00 11.31 C ATOM 321 CD LYS A 21 -1.421 8.791 9.728 1.00 55.33 C ATOM 322 CE LYS A 21 -1.965 9.969 10.565 1.00 75.13 C ATOM 323 NZ LYS A 21 -3.453 10.041 10.530 1.00 1.42 N ATOM 0 H LYS A 21 2.300 9.465 8.277 1.00 51.13 H new ATOM 0 HA LYS A 21 2.525 7.135 9.874 1.00 3.31 H new ATOM 0 HB2 LYS A 21 0.399 7.900 7.818 1.00 71.25 H new ATOM 0 HB3 LYS A 21 0.227 6.647 9.031 1.00 71.25 H new ATOM 0 HG2 LYS A 21 0.397 8.363 10.835 1.00 11.31 H new ATOM 0 HG3 LYS A 21 0.584 9.619 9.628 1.00 11.31 H new ATOM 0 HD2 LYS A 21 -1.707 8.929 8.685 1.00 55.33 H new ATOM 0 HD3 LYS A 21 -1.887 7.865 10.066 1.00 55.33 H new ATOM 0 HE2 LYS A 21 -1.632 9.864 11.597 1.00 75.13 H new ATOM 0 HE3 LYS A 21 -1.548 10.903 10.189 1.00 75.13 H new ATOM 0 HZ1 LYS A 21 -3.775 10.846 11.105 1.00 1.42 H new ATOM 0 HZ2 LYS A 21 -3.771 10.167 9.548 1.00 1.42 H new ATOM 0 HZ3 LYS A 21 -3.852 9.160 10.913 1.00 1.42 H new ATOM 337 N LEU A 22 2.888 6.763 6.603 1.00 14.35 N ATOM 338 CA LEU A 22 3.290 5.866 5.500 1.00 63.32 C ATOM 339 C LEU A 22 4.714 5.348 5.752 1.00 34.11 C ATOM 340 O LEU A 22 4.957 4.143 5.658 1.00 24.41 O ATOM 341 CB LEU A 22 3.188 6.620 4.126 1.00 63.01 C ATOM 342 CG LEU A 22 3.283 5.784 2.795 1.00 43.12 C ATOM 343 CD1 LEU A 22 2.824 6.618 1.571 1.00 33.41 C ATOM 344 CD2 LEU A 22 4.698 5.213 2.546 1.00 51.12 C ATOM 0 H LEU A 22 2.802 7.739 6.318 1.00 14.35 H new ATOM 0 HA LEU A 22 2.617 5.010 5.459 1.00 63.32 H new ATOM 0 HB2 LEU A 22 2.239 7.156 4.113 1.00 63.01 H new ATOM 0 HB3 LEU A 22 3.978 7.371 4.102 1.00 63.01 H new ATOM 0 HG LEU A 22 2.607 4.938 2.922 1.00 43.12 H new ATOM 0 HD11 LEU A 22 2.902 6.012 0.668 1.00 33.41 H new ATOM 0 HD12 LEU A 22 1.789 6.930 1.711 1.00 33.41 H new ATOM 0 HD13 LEU A 22 3.458 7.499 1.472 1.00 33.41 H new ATOM 0 HD21 LEU A 22 4.703 4.646 1.615 1.00 51.12 H new ATOM 0 HD22 LEU A 22 5.414 6.032 2.476 1.00 51.12 H new ATOM 0 HD23 LEU A 22 4.976 4.557 3.371 1.00 51.12 H new ATOM 356 N ARG A 23 5.654 6.269 6.052 1.00 13.12 N ATOM 357 CA ARG A 23 7.073 5.912 6.235 1.00 62.23 C ATOM 358 C ARG A 23 7.214 5.016 7.469 1.00 50.23 C ATOM 359 O ARG A 23 7.955 4.051 7.433 1.00 53.35 O ATOM 360 CB ARG A 23 8.018 7.175 6.273 1.00 54.24 C ATOM 361 CG ARG A 23 7.944 8.119 7.515 1.00 11.31 C ATOM 362 CD ARG A 23 8.837 7.690 8.710 1.00 43.11 C ATOM 363 NE ARG A 23 8.705 8.626 9.851 1.00 32.52 N ATOM 364 CZ ARG A 23 8.685 8.289 11.160 1.00 63.45 C ATOM 365 NH1 ARG A 23 8.784 7.027 11.554 1.00 2.11 N ATOM 366 NH2 ARG A 23 8.575 9.241 12.077 1.00 32.13 N ATOM 0 H ARG A 23 5.455 7.262 6.172 1.00 13.12 H new ATOM 0 HA ARG A 23 7.408 5.348 5.365 1.00 62.23 H new ATOM 0 HB2 ARG A 23 9.046 6.824 6.183 1.00 54.24 H new ATOM 0 HB3 ARG A 23 7.808 7.774 5.387 1.00 54.24 H new ATOM 0 HG2 ARG A 23 8.231 9.125 7.208 1.00 11.31 H new ATOM 0 HG3 ARG A 23 6.909 8.172 7.853 1.00 11.31 H new ATOM 0 HD2 ARG A 23 8.561 6.685 9.029 1.00 43.11 H new ATOM 0 HD3 ARG A 23 9.878 7.649 8.391 1.00 43.11 H new ATOM 0 HE ARG A 23 8.621 9.618 9.628 1.00 32.52 H new ATOM 0 HH11 ARG A 23 8.878 6.283 10.863 1.00 2.11 H new ATOM 0 HH12 ARG A 23 8.766 6.800 12.548 1.00 2.11 H new ATOM 0 HH21 ARG A 23 8.506 10.218 11.792 1.00 32.13 H new ATOM 0 HH22 ARG A 23 8.559 8.996 13.067 1.00 32.13 H new ATOM 380 N ASP A 24 6.443 5.317 8.539 1.00 41.15 N ATOM 381 CA ASP A 24 6.476 4.519 9.787 1.00 72.31 C ATOM 382 C ASP A 24 5.799 3.138 9.583 1.00 2.13 C ATOM 383 O ASP A 24 6.213 2.136 10.183 1.00 13.45 O ATOM 384 CB ASP A 24 5.817 5.304 10.949 1.00 44.11 C ATOM 385 CG ASP A 24 6.047 4.645 12.323 1.00 22.33 C ATOM 386 OD1 ASP A 24 7.222 4.543 12.751 1.00 14.35 O ATOM 387 OD2 ASP A 24 5.067 4.242 12.985 1.00 42.43 O ATOM 0 H ASP A 24 5.793 6.103 8.564 1.00 41.15 H new ATOM 0 HA ASP A 24 7.518 4.336 10.051 1.00 72.31 H new ATOM 0 HB2 ASP A 24 6.215 6.319 10.967 1.00 44.11 H new ATOM 0 HB3 ASP A 24 4.746 5.385 10.765 1.00 44.11 H new ATOM 392 N PHE A 25 4.759 3.115 8.723 1.00 2.10 N ATOM 393 CA PHE A 25 4.098 1.878 8.243 1.00 11.12 C ATOM 394 C PHE A 25 5.122 0.951 7.560 1.00 14.31 C ATOM 395 O PHE A 25 5.284 -0.208 7.946 1.00 63.20 O ATOM 396 CB PHE A 25 2.948 2.282 7.263 1.00 51.01 C ATOM 397 CG PHE A 25 2.246 1.167 6.478 1.00 62.24 C ATOM 398 CD1 PHE A 25 1.107 0.535 6.980 1.00 62.44 C ATOM 399 CD2 PHE A 25 2.707 0.787 5.209 1.00 55.25 C ATOM 400 CE1 PHE A 25 0.459 -0.435 6.241 1.00 11.42 C ATOM 401 CE2 PHE A 25 2.062 -0.187 4.482 1.00 12.21 C ATOM 402 CZ PHE A 25 0.939 -0.795 4.994 1.00 31.13 C ATOM 0 H PHE A 25 4.348 3.965 8.336 1.00 2.10 H new ATOM 0 HA PHE A 25 3.676 1.325 9.082 1.00 11.12 H new ATOM 0 HB2 PHE A 25 2.190 2.813 7.839 1.00 51.01 H new ATOM 0 HB3 PHE A 25 3.357 2.991 6.543 1.00 51.01 H new ATOM 0 HD1 PHE A 25 0.729 0.807 7.955 1.00 62.44 H new ATOM 0 HD2 PHE A 25 3.582 1.267 4.796 1.00 55.25 H new ATOM 0 HE1 PHE A 25 -0.424 -0.914 6.637 1.00 11.42 H new ATOM 0 HE2 PHE A 25 2.437 -0.474 3.511 1.00 12.21 H new ATOM 0 HZ PHE A 25 0.430 -1.556 4.421 1.00 31.13 H new ATOM 412 N THR A 26 5.840 1.518 6.586 1.00 35.34 N ATOM 413 CA THR A 26 6.738 0.780 5.689 1.00 51.24 C ATOM 414 C THR A 26 8.078 0.417 6.375 1.00 34.01 C ATOM 415 O THR A 26 8.669 -0.615 6.070 1.00 60.44 O ATOM 416 CB THR A 26 6.993 1.634 4.408 1.00 31.12 C ATOM 417 OG1 THR A 26 5.733 2.010 3.817 1.00 74.12 O ATOM 418 CG2 THR A 26 7.828 0.892 3.358 1.00 40.21 C ATOM 0 H THR A 26 5.814 2.520 6.394 1.00 35.34 H new ATOM 0 HA THR A 26 6.257 -0.160 5.420 1.00 51.24 H new ATOM 0 HB THR A 26 7.556 2.514 4.721 1.00 31.12 H new ATOM 0 HG1 THR A 26 5.302 2.693 4.372 1.00 74.12 H new ATOM 0 HG21 THR A 26 7.974 1.534 2.489 1.00 40.21 H new ATOM 0 HG22 THR A 26 8.797 0.630 3.782 1.00 40.21 H new ATOM 0 HG23 THR A 26 7.307 -0.016 3.055 1.00 40.21 H new ATOM 426 N ARG A 27 8.535 1.261 7.324 1.00 42.14 N ATOM 427 CA ARG A 27 9.800 1.034 8.071 1.00 31.42 C ATOM 428 C ARG A 27 9.741 -0.242 8.923 1.00 71.41 C ATOM 429 O ARG A 27 10.778 -0.820 9.246 1.00 42.53 O ATOM 430 CB ARG A 27 10.162 2.278 8.950 1.00 74.31 C ATOM 431 CG ARG A 27 10.880 3.430 8.182 1.00 64.04 C ATOM 432 CD ARG A 27 12.413 3.236 8.059 1.00 73.42 C ATOM 433 NE ARG A 27 12.792 1.866 7.648 1.00 1.03 N ATOM 434 CZ ARG A 27 13.760 1.123 8.211 1.00 63.31 C ATOM 435 NH1 ARG A 27 14.495 1.595 9.220 1.00 3.40 N ATOM 436 NH2 ARG A 27 13.949 -0.114 7.796 1.00 62.34 N ATOM 0 H ARG A 27 8.045 2.114 7.596 1.00 42.14 H new ATOM 0 HA ARG A 27 10.591 0.894 7.334 1.00 31.42 H new ATOM 0 HB2 ARG A 27 9.247 2.670 9.395 1.00 74.31 H new ATOM 0 HB3 ARG A 27 10.801 1.953 9.771 1.00 74.31 H new ATOM 0 HG2 ARG A 27 10.452 3.511 7.183 1.00 64.04 H new ATOM 0 HG3 ARG A 27 10.682 4.373 8.691 1.00 64.04 H new ATOM 0 HD2 ARG A 27 12.807 3.949 7.334 1.00 73.42 H new ATOM 0 HD3 ARG A 27 12.880 3.464 9.017 1.00 73.42 H new ATOM 0 HE ARG A 27 12.275 1.451 6.873 1.00 1.03 H new ATOM 0 HH11 ARG A 27 14.327 2.535 9.577 1.00 3.40 H new ATOM 0 HH12 ARG A 27 15.225 1.015 9.634 1.00 3.40 H new ATOM 0 HH21 ARG A 27 13.363 -0.498 7.055 1.00 62.34 H new ATOM 0 HH22 ARG A 27 14.681 -0.687 8.216 1.00 62.34 H new ATOM 450 N ALA A 28 8.516 -0.672 9.261 1.00 31.51 N ATOM 451 CA ALA A 28 8.275 -1.886 10.049 1.00 30.52 C ATOM 452 C ALA A 28 8.678 -3.166 9.277 1.00 64.32 C ATOM 453 O ALA A 28 9.033 -4.180 9.891 1.00 31.03 O ATOM 454 CB ALA A 28 6.798 -1.941 10.463 1.00 40.42 C ATOM 0 H ALA A 28 7.662 -0.183 8.993 1.00 31.51 H new ATOM 0 HA ALA A 28 8.901 -1.845 10.941 1.00 30.52 H new ATOM 0 HB1 ALA A 28 6.618 -2.843 11.049 1.00 40.42 H new ATOM 0 HB2 ALA A 28 6.555 -1.064 11.063 1.00 40.42 H new ATOM 0 HB3 ALA A 28 6.171 -1.956 9.572 1.00 40.42 H new ATOM 460 N TYR A 29 8.604 -3.107 7.929 1.00 43.25 N ATOM 461 CA TYR A 29 8.869 -4.265 7.041 1.00 54.22 C ATOM 462 C TYR A 29 9.180 -3.792 5.603 1.00 5.11 C ATOM 463 O TYR A 29 8.407 -3.059 5.004 1.00 64.51 O ATOM 464 CB TYR A 29 7.655 -5.268 7.049 1.00 12.22 C ATOM 465 CG TYR A 29 6.296 -4.624 7.374 1.00 20.41 C ATOM 466 CD1 TYR A 29 5.774 -3.613 6.571 1.00 52.24 C ATOM 467 CD2 TYR A 29 5.572 -4.990 8.513 1.00 33.34 C ATOM 468 CE1 TYR A 29 4.592 -2.990 6.885 1.00 71.34 C ATOM 469 CE2 TYR A 29 4.378 -4.376 8.827 1.00 15.30 C ATOM 470 CZ TYR A 29 3.893 -3.372 8.013 1.00 60.30 C ATOM 471 OH TYR A 29 2.709 -2.744 8.331 1.00 51.21 O ATOM 0 H TYR A 29 8.359 -2.255 7.424 1.00 43.25 H new ATOM 0 HA TYR A 29 9.744 -4.791 7.423 1.00 54.22 H new ATOM 0 HB2 TYR A 29 7.591 -5.748 6.073 1.00 12.22 H new ATOM 0 HB3 TYR A 29 7.854 -6.053 7.778 1.00 12.22 H new ATOM 0 HD1 TYR A 29 6.310 -3.313 5.683 1.00 52.24 H new ATOM 0 HD2 TYR A 29 5.955 -5.767 9.158 1.00 33.34 H new ATOM 0 HE1 TYR A 29 4.210 -2.203 6.252 1.00 71.34 H new ATOM 0 HE2 TYR A 29 3.826 -4.679 9.704 1.00 15.30 H new ATOM 0 HH TYR A 29 2.344 -3.132 9.154 1.00 51.21 H new ATOM 481 N GLU A 30 10.313 -4.241 5.057 1.00 12.43 N ATOM 482 CA GLU A 30 10.741 -3.942 3.669 1.00 10.31 C ATOM 483 C GLU A 30 10.423 -5.178 2.745 1.00 10.11 C ATOM 484 O GLU A 30 9.966 -6.205 3.280 1.00 72.23 O ATOM 485 CB GLU A 30 12.251 -3.514 3.699 1.00 51.22 C ATOM 486 CG GLU A 30 12.510 -1.996 3.955 1.00 14.24 C ATOM 487 CD GLU A 30 12.110 -1.453 5.349 1.00 24.40 C ATOM 488 OE1 GLU A 30 12.257 -2.182 6.357 1.00 12.40 O ATOM 489 OE2 GLU A 30 11.740 -0.259 5.455 1.00 63.24 O ATOM 0 H GLU A 30 10.973 -4.830 5.564 1.00 12.43 H new ATOM 0 HA GLU A 30 10.189 -3.107 3.237 1.00 10.31 H new ATOM 0 HB2 GLU A 30 12.759 -4.088 4.474 1.00 51.22 H new ATOM 0 HB3 GLU A 30 12.708 -3.788 2.748 1.00 51.22 H new ATOM 0 HG2 GLU A 30 13.572 -1.801 3.805 1.00 14.24 H new ATOM 0 HG3 GLU A 30 11.971 -1.425 3.199 1.00 14.24 H new ATOM 496 N PRO A 31 10.609 -5.124 1.349 1.00 11.53 N ATOM 497 CA PRO A 31 10.034 -6.154 0.422 1.00 20.43 C ATOM 498 C PRO A 31 10.495 -7.608 0.706 1.00 71.02 C ATOM 499 O PRO A 31 9.658 -8.474 0.997 1.00 14.12 O ATOM 500 CB PRO A 31 10.466 -5.681 -0.999 1.00 42.34 C ATOM 501 CG PRO A 31 10.806 -4.230 -0.838 1.00 61.30 C ATOM 502 CD PRO A 31 11.377 -4.103 0.561 1.00 44.42 C ATOM 0 HA PRO A 31 8.953 -6.214 0.547 1.00 20.43 H new ATOM 0 HB2 PRO A 31 11.323 -6.249 -1.361 1.00 42.34 H new ATOM 0 HB3 PRO A 31 9.663 -5.820 -1.723 1.00 42.34 H new ATOM 0 HG2 PRO A 31 11.529 -3.910 -1.588 1.00 61.30 H new ATOM 0 HG3 PRO A 31 9.922 -3.604 -0.960 1.00 61.30 H new ATOM 0 HD2 PRO A 31 12.448 -4.306 0.577 1.00 44.42 H new ATOM 0 HD3 PRO A 31 11.237 -3.099 0.962 1.00 44.42 H new ATOM 510 N ASP A 32 11.817 -7.872 0.625 1.00 70.34 N ATOM 511 CA ASP A 32 12.382 -9.225 0.873 1.00 32.51 C ATOM 512 C ASP A 32 13.037 -9.262 2.271 1.00 21.02 C ATOM 513 O ASP A 32 14.268 -9.331 2.404 1.00 65.10 O ATOM 514 CB ASP A 32 13.395 -9.608 -0.249 1.00 25.15 C ATOM 515 CG ASP A 32 13.741 -11.114 -0.280 1.00 4.52 C ATOM 516 OD1 ASP A 32 12.990 -11.891 -0.911 1.00 33.14 O ATOM 517 OD2 ASP A 32 14.761 -11.529 0.316 1.00 10.25 O ATOM 0 H ASP A 32 12.517 -7.168 0.390 1.00 70.34 H new ATOM 0 HA ASP A 32 11.581 -9.964 0.851 1.00 32.51 H new ATOM 0 HB2 ASP A 32 12.981 -9.318 -1.215 1.00 25.15 H new ATOM 0 HB3 ASP A 32 14.312 -9.035 -0.110 1.00 25.15 H new ATOM 522 N SER A 33 12.190 -9.155 3.310 1.00 32.44 N ATOM 523 CA SER A 33 12.632 -9.152 4.720 1.00 71.10 C ATOM 524 C SER A 33 11.430 -9.437 5.654 1.00 12.20 C ATOM 525 O SER A 33 11.363 -8.945 6.789 1.00 14.32 O ATOM 526 CB SER A 33 13.302 -7.790 5.050 1.00 33.21 C ATOM 527 OG SER A 33 13.911 -7.797 6.332 1.00 21.34 O ATOM 0 H SER A 33 11.180 -9.068 3.198 1.00 32.44 H new ATOM 0 HA SER A 33 13.367 -9.941 4.878 1.00 71.10 H new ATOM 0 HB2 SER A 33 14.052 -7.561 4.293 1.00 33.21 H new ATOM 0 HB3 SER A 33 12.554 -6.998 5.007 1.00 33.21 H new ATOM 0 HG SER A 33 13.265 -8.109 6.999 1.00 21.34 H new ATOM 533 N VAL A 34 10.489 -10.269 5.162 1.00 4.43 N ATOM 534 CA VAL A 34 9.242 -10.633 5.882 1.00 34.33 C ATOM 535 C VAL A 34 9.059 -12.155 5.873 1.00 13.51 C ATOM 536 O VAL A 34 9.426 -12.823 4.895 1.00 63.41 O ATOM 537 CB VAL A 34 7.983 -9.915 5.239 1.00 11.14 C ATOM 538 CG1 VAL A 34 6.623 -10.427 5.809 1.00 15.10 C ATOM 539 CG2 VAL A 34 8.107 -8.386 5.415 1.00 35.45 C ATOM 0 H VAL A 34 10.570 -10.713 4.247 1.00 4.43 H new ATOM 0 HA VAL A 34 9.327 -10.293 6.914 1.00 34.33 H new ATOM 0 HB VAL A 34 7.979 -10.166 4.178 1.00 11.14 H new ATOM 0 HG11 VAL A 34 5.803 -9.895 5.327 1.00 15.10 H new ATOM 0 HG12 VAL A 34 6.526 -11.495 5.615 1.00 15.10 H new ATOM 0 HG13 VAL A 34 6.589 -10.249 6.884 1.00 15.10 H new ATOM 0 HG21 VAL A 34 7.240 -7.897 4.972 1.00 35.45 H new ATOM 0 HG22 VAL A 34 8.156 -8.145 6.477 1.00 35.45 H new ATOM 0 HG23 VAL A 34 9.013 -8.035 4.921 1.00 35.45 H new ATOM 549 N LEU A 35 8.503 -12.677 6.991 1.00 41.43 N ATOM 550 CA LEU A 35 8.165 -14.103 7.176 1.00 1.14 C ATOM 551 C LEU A 35 7.265 -14.574 6.000 1.00 35.51 C ATOM 552 O LEU A 35 6.305 -13.870 5.656 1.00 52.24 O ATOM 553 CB LEU A 35 7.464 -14.326 8.557 1.00 71.11 C ATOM 554 CG LEU A 35 8.347 -14.176 9.852 1.00 2.14 C ATOM 555 CD1 LEU A 35 8.876 -12.737 10.068 1.00 71.13 C ATOM 556 CD2 LEU A 35 7.575 -14.681 11.098 1.00 5.40 C ATOM 0 H LEU A 35 8.273 -12.106 7.804 1.00 41.43 H new ATOM 0 HA LEU A 35 9.078 -14.698 7.175 1.00 1.14 H new ATOM 0 HB2 LEU A 35 6.635 -13.622 8.631 1.00 71.11 H new ATOM 0 HB3 LEU A 35 7.033 -15.327 8.558 1.00 71.11 H new ATOM 0 HG LEU A 35 9.228 -14.801 9.704 1.00 2.14 H new ATOM 0 HD11 LEU A 35 9.477 -12.703 10.977 1.00 71.13 H new ATOM 0 HD12 LEU A 35 9.490 -12.443 9.216 1.00 71.13 H new ATOM 0 HD13 LEU A 35 8.035 -12.050 10.163 1.00 71.13 H new ATOM 0 HD21 LEU A 35 8.201 -14.570 11.984 1.00 5.40 H new ATOM 0 HD22 LEU A 35 6.663 -14.097 11.222 1.00 5.40 H new ATOM 0 HD23 LEU A 35 7.318 -15.732 10.965 1.00 5.40 H new ATOM 568 N PRO A 36 7.552 -15.772 5.389 1.00 13.25 N ATOM 569 CA PRO A 36 7.119 -16.083 4.005 1.00 64.43 C ATOM 570 C PRO A 36 5.581 -16.131 3.808 1.00 45.42 C ATOM 571 O PRO A 36 4.933 -17.121 4.152 1.00 63.32 O ATOM 572 CB PRO A 36 7.787 -17.460 3.682 1.00 64.13 C ATOM 573 CG PRO A 36 8.660 -17.817 4.863 1.00 42.12 C ATOM 574 CD PRO A 36 8.251 -16.923 6.024 1.00 34.53 C ATOM 0 HA PRO A 36 7.428 -15.288 3.326 1.00 64.43 H new ATOM 0 HB2 PRO A 36 7.030 -18.226 3.517 1.00 64.13 H new ATOM 0 HB3 PRO A 36 8.380 -17.396 2.770 1.00 64.13 H new ATOM 0 HG2 PRO A 36 8.537 -18.867 5.127 1.00 42.12 H new ATOM 0 HG3 PRO A 36 9.712 -17.671 4.619 1.00 42.12 H new ATOM 0 HD2 PRO A 36 7.596 -17.450 6.718 1.00 34.53 H new ATOM 0 HD3 PRO A 36 9.119 -16.593 6.594 1.00 34.53 H new ATOM 582 N LEU A 37 5.015 -15.025 3.281 1.00 52.01 N ATOM 583 CA LEU A 37 3.628 -14.992 2.776 1.00 63.03 C ATOM 584 C LEU A 37 3.559 -15.941 1.562 1.00 52.22 C ATOM 585 O LEU A 37 3.985 -15.579 0.464 1.00 70.21 O ATOM 586 CB LEU A 37 3.227 -13.538 2.406 1.00 12.24 C ATOM 587 CG LEU A 37 3.354 -12.495 3.562 1.00 23.44 C ATOM 588 CD1 LEU A 37 3.173 -11.063 3.035 1.00 44.01 C ATOM 589 CD2 LEU A 37 2.365 -12.801 4.721 1.00 60.50 C ATOM 0 H LEU A 37 5.505 -14.134 3.194 1.00 52.01 H new ATOM 0 HA LEU A 37 2.920 -15.324 3.536 1.00 63.03 H new ATOM 0 HB2 LEU A 37 3.847 -13.209 1.572 1.00 12.24 H new ATOM 0 HB3 LEU A 37 2.195 -13.542 2.054 1.00 12.24 H new ATOM 0 HG LEU A 37 4.362 -12.576 3.969 1.00 23.44 H new ATOM 0 HD11 LEU A 37 3.266 -10.357 3.860 1.00 44.01 H new ATOM 0 HD12 LEU A 37 3.938 -10.851 2.288 1.00 44.01 H new ATOM 0 HD13 LEU A 37 2.186 -10.964 2.582 1.00 44.01 H new ATOM 0 HD21 LEU A 37 2.483 -12.054 5.506 1.00 60.50 H new ATOM 0 HD22 LEU A 37 1.343 -12.773 4.344 1.00 60.50 H new ATOM 0 HD23 LEU A 37 2.575 -13.791 5.127 1.00 60.50 H new ATOM 601 N ALA A 38 3.022 -17.146 1.818 1.00 14.45 N ATOM 602 CA ALA A 38 3.328 -18.397 1.082 1.00 43.43 C ATOM 603 C ALA A 38 3.321 -18.301 -0.471 1.00 54.33 C ATOM 604 O ALA A 38 2.276 -18.479 -1.091 1.00 61.52 O ATOM 605 CB ALA A 38 2.379 -19.504 1.565 1.00 32.21 C ATOM 0 H ALA A 38 2.341 -17.287 2.565 1.00 14.45 H new ATOM 0 HA ALA A 38 4.367 -18.628 1.317 1.00 43.43 H new ATOM 0 HB1 ALA A 38 2.596 -20.428 1.030 1.00 32.21 H new ATOM 0 HB2 ALA A 38 2.519 -19.662 2.634 1.00 32.21 H new ATOM 0 HB3 ALA A 38 1.348 -19.208 1.374 1.00 32.21 H new ATOM 611 N ASP A 39 4.502 -17.926 -1.028 1.00 50.35 N ATOM 612 CA ASP A 39 4.931 -18.114 -2.450 1.00 44.32 C ATOM 613 C ASP A 39 3.875 -17.762 -3.532 1.00 13.12 C ATOM 614 O ASP A 39 2.855 -18.450 -3.674 1.00 20.31 O ATOM 615 CB ASP A 39 5.443 -19.564 -2.671 1.00 65.23 C ATOM 616 CG ASP A 39 6.056 -19.800 -4.072 1.00 52.01 C ATOM 617 OD1 ASP A 39 7.183 -19.309 -4.321 1.00 42.21 O ATOM 618 OD2 ASP A 39 5.432 -20.495 -4.913 1.00 35.22 O ATOM 0 H ASP A 39 5.221 -17.460 -0.474 1.00 50.35 H new ATOM 0 HA ASP A 39 5.730 -17.386 -2.589 1.00 44.32 H new ATOM 0 HB2 ASP A 39 6.191 -19.795 -1.913 1.00 65.23 H new ATOM 0 HB3 ASP A 39 4.616 -20.258 -2.524 1.00 65.23 H new ATOM 623 N GLY A 40 4.164 -16.719 -4.326 1.00 2.01 N ATOM 624 CA GLY A 40 3.358 -16.383 -5.503 1.00 42.03 C ATOM 625 C GLY A 40 2.690 -15.026 -5.374 1.00 24.01 C ATOM 626 O GLY A 40 3.380 -13.995 -5.393 1.00 61.30 O ATOM 0 H GLY A 40 4.954 -16.093 -4.170 1.00 2.01 H new ATOM 0 HA2 GLY A 40 3.992 -16.391 -6.389 1.00 42.03 H new ATOM 0 HA3 GLY A 40 2.596 -17.148 -5.650 1.00 42.03 H new ATOM 630 N VAL A 41 1.349 -15.022 -5.202 1.00 3.34 N ATOM 631 CA VAL A 41 0.548 -13.794 -5.287 1.00 33.45 C ATOM 632 C VAL A 41 0.707 -12.931 -4.016 1.00 70.32 C ATOM 633 O VAL A 41 1.017 -11.763 -4.140 1.00 45.13 O ATOM 634 CB VAL A 41 -0.976 -14.071 -5.625 1.00 14.32 C ATOM 635 CG1 VAL A 41 -1.754 -14.754 -4.469 1.00 4.23 C ATOM 636 CG2 VAL A 41 -1.670 -12.769 -6.107 1.00 55.23 C ATOM 0 H VAL A 41 0.804 -15.861 -5.003 1.00 3.34 H new ATOM 0 HA VAL A 41 0.942 -13.224 -6.128 1.00 33.45 H new ATOM 0 HB VAL A 41 -0.992 -14.794 -6.441 1.00 14.32 H new ATOM 0 HG11 VAL A 41 -2.789 -14.913 -4.771 1.00 4.23 H new ATOM 0 HG12 VAL A 41 -1.293 -15.714 -4.237 1.00 4.23 H new ATOM 0 HG13 VAL A 41 -1.727 -14.116 -3.586 1.00 4.23 H new ATOM 0 HG21 VAL A 41 -2.715 -12.977 -6.335 1.00 55.23 H new ATOM 0 HG22 VAL A 41 -1.613 -12.014 -5.323 1.00 55.23 H new ATOM 0 HG23 VAL A 41 -1.170 -12.400 -7.003 1.00 55.23 H new ATOM 646 N LEU A 42 0.562 -13.532 -2.804 1.00 54.53 N ATOM 647 CA LEU A 42 0.702 -12.816 -1.498 1.00 51.35 C ATOM 648 C LEU A 42 2.079 -12.122 -1.394 1.00 44.52 C ATOM 649 O LEU A 42 2.203 -11.012 -0.853 1.00 21.21 O ATOM 650 CB LEU A 42 0.535 -13.814 -0.317 1.00 73.25 C ATOM 651 CG LEU A 42 -0.845 -14.538 -0.186 1.00 12.45 C ATOM 652 CD1 LEU A 42 -0.754 -15.708 0.822 1.00 42.43 C ATOM 653 CD2 LEU A 42 -1.985 -13.553 0.193 1.00 51.23 C ATOM 0 H LEU A 42 0.345 -14.523 -2.701 1.00 54.53 H new ATOM 0 HA LEU A 42 -0.078 -12.057 -1.446 1.00 51.35 H new ATOM 0 HB2 LEU A 42 1.310 -14.576 -0.406 1.00 73.25 H new ATOM 0 HB3 LEU A 42 0.723 -13.274 0.611 1.00 73.25 H new ATOM 0 HG LEU A 42 -1.095 -14.949 -1.164 1.00 12.45 H new ATOM 0 HD11 LEU A 42 -1.724 -16.199 0.899 1.00 42.43 H new ATOM 0 HD12 LEU A 42 -0.010 -16.427 0.479 1.00 42.43 H new ATOM 0 HD13 LEU A 42 -0.463 -15.324 1.800 1.00 42.43 H new ATOM 0 HD21 LEU A 42 -2.925 -14.098 0.273 1.00 51.23 H new ATOM 0 HD22 LEU A 42 -1.756 -13.082 1.149 1.00 51.23 H new ATOM 0 HD23 LEU A 42 -2.075 -12.787 -0.577 1.00 51.23 H new ATOM 665 N SER A 43 3.094 -12.812 -1.948 1.00 4.03 N ATOM 666 CA SER A 43 4.475 -12.324 -2.043 1.00 25.02 C ATOM 667 C SER A 43 4.534 -11.051 -2.916 1.00 74.03 C ATOM 668 O SER A 43 5.110 -10.033 -2.512 1.00 62.41 O ATOM 669 CB SER A 43 5.357 -13.443 -2.649 1.00 42.12 C ATOM 670 OG SER A 43 5.151 -14.682 -1.987 1.00 32.23 O ATOM 0 H SER A 43 2.970 -13.742 -2.349 1.00 4.03 H new ATOM 0 HA SER A 43 4.846 -12.067 -1.051 1.00 25.02 H new ATOM 0 HB2 SER A 43 5.130 -13.553 -3.709 1.00 42.12 H new ATOM 0 HB3 SER A 43 6.407 -13.160 -2.576 1.00 42.12 H new ATOM 0 HG SER A 43 4.768 -14.519 -1.100 1.00 32.23 H new ATOM 676 N PHE A 44 3.887 -11.128 -4.098 1.00 14.43 N ATOM 677 CA PHE A 44 3.829 -10.024 -5.074 1.00 61.20 C ATOM 678 C PHE A 44 3.004 -8.840 -4.535 1.00 61.44 C ATOM 679 O PHE A 44 3.344 -7.694 -4.801 1.00 31.34 O ATOM 680 CB PHE A 44 3.256 -10.529 -6.426 1.00 13.20 C ATOM 681 CG PHE A 44 3.008 -9.433 -7.480 1.00 2.15 C ATOM 682 CD1 PHE A 44 4.070 -8.731 -8.066 1.00 10.30 C ATOM 683 CD2 PHE A 44 1.710 -9.112 -7.890 1.00 24.31 C ATOM 684 CE1 PHE A 44 3.838 -7.756 -9.017 1.00 41.54 C ATOM 685 CE2 PHE A 44 1.484 -8.137 -8.838 1.00 25.45 C ATOM 686 CZ PHE A 44 2.546 -7.458 -9.403 1.00 23.23 C ATOM 0 H PHE A 44 3.388 -11.964 -4.402 1.00 14.43 H new ATOM 0 HA PHE A 44 4.845 -9.666 -5.240 1.00 61.20 H new ATOM 0 HB2 PHE A 44 3.945 -11.264 -6.843 1.00 13.20 H new ATOM 0 HB3 PHE A 44 2.316 -11.046 -6.234 1.00 13.20 H new ATOM 0 HD1 PHE A 44 5.084 -8.955 -7.770 1.00 10.30 H new ATOM 0 HD2 PHE A 44 0.871 -9.636 -7.457 1.00 24.31 H new ATOM 0 HE1 PHE A 44 4.669 -7.226 -9.459 1.00 41.54 H new ATOM 0 HE2 PHE A 44 0.474 -7.903 -9.140 1.00 25.45 H new ATOM 0 HZ PHE A 44 2.366 -6.695 -10.146 1.00 23.23 H new ATOM 696 N ILE A 45 1.939 -9.116 -3.766 1.00 11.21 N ATOM 697 CA ILE A 45 1.090 -8.053 -3.202 1.00 55.12 C ATOM 698 C ILE A 45 1.874 -7.317 -2.119 1.00 51.05 C ATOM 699 O ILE A 45 1.814 -6.103 -2.052 1.00 64.21 O ATOM 700 CB ILE A 45 -0.262 -8.580 -2.599 1.00 75.15 C ATOM 701 CG1 ILE A 45 -0.995 -9.512 -3.613 1.00 52.21 C ATOM 702 CG2 ILE A 45 -1.177 -7.384 -2.190 1.00 55.12 C ATOM 703 CD1 ILE A 45 -2.043 -10.420 -2.999 1.00 31.23 C ATOM 0 H ILE A 45 1.646 -10.062 -3.521 1.00 11.21 H new ATOM 0 HA ILE A 45 0.824 -7.388 -4.024 1.00 55.12 H new ATOM 0 HB ILE A 45 -0.036 -9.163 -1.707 1.00 75.15 H new ATOM 0 HG12 ILE A 45 -1.471 -8.894 -4.374 1.00 52.21 H new ATOM 0 HG13 ILE A 45 -0.253 -10.128 -4.121 1.00 52.21 H new ATOM 0 HG21 ILE A 45 -2.110 -7.765 -1.774 1.00 55.12 H new ATOM 0 HG22 ILE A 45 -0.668 -6.776 -1.442 1.00 55.12 H new ATOM 0 HG23 ILE A 45 -1.393 -6.775 -3.068 1.00 55.12 H new ATOM 0 HD11 ILE A 45 -2.498 -11.030 -3.779 1.00 31.23 H new ATOM 0 HD12 ILE A 45 -1.574 -11.068 -2.259 1.00 31.23 H new ATOM 0 HD13 ILE A 45 -2.811 -9.815 -2.517 1.00 31.23 H new ATOM 715 N HIS A 46 2.632 -8.078 -1.285 1.00 52.21 N ATOM 716 CA HIS A 46 3.532 -7.483 -0.275 1.00 1.53 C ATOM 717 C HIS A 46 4.622 -6.630 -0.942 1.00 64.43 C ATOM 718 O HIS A 46 4.997 -5.563 -0.403 1.00 52.53 O ATOM 719 CB HIS A 46 4.179 -8.554 0.636 1.00 32.25 C ATOM 720 CG HIS A 46 5.135 -7.960 1.651 1.00 32.43 C ATOM 721 ND1 HIS A 46 4.720 -7.106 2.653 1.00 43.10 N ATOM 722 CD2 HIS A 46 6.489 -8.012 1.749 1.00 14.23 C ATOM 723 CE1 HIS A 46 5.773 -6.651 3.305 1.00 62.00 C ATOM 724 NE2 HIS A 46 6.856 -7.181 2.774 1.00 63.01 N ATOM 0 H HIS A 46 2.634 -9.098 -1.296 1.00 52.21 H new ATOM 0 HA HIS A 46 2.915 -6.841 0.354 1.00 1.53 H new ATOM 0 HB2 HIS A 46 3.395 -9.102 1.159 1.00 32.25 H new ATOM 0 HB3 HIS A 46 4.714 -9.275 0.018 1.00 32.25 H new ATOM 0 HD2 HIS A 46 7.153 -8.600 1.133 1.00 14.23 H new ATOM 0 HE1 HIS A 46 5.751 -5.960 4.135 1.00 62.00 H new ATOM 0 HE2 HIS A 46 7.813 -7.001 3.077 1.00 63.01 H new ATOM 733 N HIS A 47 5.128 -7.113 -2.113 1.00 43.20 N ATOM 734 CA HIS A 47 6.033 -6.321 -2.962 1.00 51.31 C ATOM 735 C HIS A 47 5.375 -4.972 -3.230 1.00 60.24 C ATOM 736 O HIS A 47 5.896 -3.979 -2.811 1.00 51.23 O ATOM 737 CB HIS A 47 6.359 -6.986 -4.329 1.00 24.25 C ATOM 738 CG HIS A 47 7.173 -8.246 -4.291 1.00 70.21 C ATOM 739 ND1 HIS A 47 7.275 -9.082 -5.383 1.00 33.25 N ATOM 740 CD2 HIS A 47 7.955 -8.794 -3.327 1.00 5.51 C ATOM 741 CE1 HIS A 47 8.084 -10.078 -5.097 1.00 71.22 C ATOM 742 NE2 HIS A 47 8.510 -9.931 -3.856 1.00 31.34 N ATOM 0 H HIS A 47 4.919 -8.042 -2.479 1.00 43.20 H new ATOM 0 HA HIS A 47 6.976 -6.230 -2.423 1.00 51.31 H new ATOM 0 HB2 HIS A 47 5.418 -7.205 -4.834 1.00 24.25 H new ATOM 0 HB3 HIS A 47 6.888 -6.258 -4.943 1.00 24.25 H new ATOM 0 HD2 HIS A 47 8.111 -8.408 -2.331 1.00 5.51 H new ATOM 0 HE1 HIS A 47 8.355 -10.882 -5.765 1.00 71.22 H new ATOM 0 HE2 HIS A 47 9.148 -10.561 -3.370 1.00 31.34 H new ATOM 751 N GLN A 48 4.160 -5.003 -3.816 1.00 32.41 N ATOM 752 CA GLN A 48 3.414 -3.798 -4.245 1.00 3.04 C ATOM 753 C GLN A 48 3.005 -2.909 -3.050 1.00 24.43 C ATOM 754 O GLN A 48 2.891 -1.694 -3.205 1.00 32.12 O ATOM 755 CB GLN A 48 2.166 -4.221 -5.055 1.00 60.41 C ATOM 756 CG GLN A 48 2.481 -5.110 -6.279 1.00 12.25 C ATOM 757 CD GLN A 48 3.204 -4.391 -7.414 1.00 32.11 C ATOM 758 OE1 GLN A 48 2.460 -3.963 -8.420 1.00 62.10 O flip ATOM 759 NE2 GLN A 48 4.431 -4.277 -7.418 1.00 41.32 N flip ATOM 0 H GLN A 48 3.663 -5.873 -4.007 1.00 32.41 H new ATOM 0 HA GLN A 48 4.075 -3.202 -4.874 1.00 3.04 H new ATOM 0 HB2 GLN A 48 1.483 -4.757 -4.396 1.00 60.41 H new ATOM 0 HB3 GLN A 48 1.645 -3.325 -5.394 1.00 60.41 H new ATOM 0 HG2 GLN A 48 3.091 -5.953 -5.953 1.00 12.25 H new ATOM 0 HG3 GLN A 48 1.548 -5.522 -6.663 1.00 12.25 H new ATOM 0 HE21 GLN A 48 4.977 -4.617 -6.627 1.00 41.32 H new ATOM 0 HE22 GLN A 48 4.900 -3.842 -8.213 1.00 41.32 H new ATOM 768 N ILE A 49 2.801 -3.530 -1.864 1.00 42.13 N ATOM 769 CA ILE A 49 2.502 -2.804 -0.614 1.00 30.44 C ATOM 770 C ILE A 49 3.692 -1.886 -0.314 1.00 65.54 C ATOM 771 O ILE A 49 3.551 -0.670 -0.344 1.00 24.33 O ATOM 772 CB ILE A 49 2.199 -3.799 0.602 1.00 74.34 C ATOM 773 CG1 ILE A 49 0.782 -4.452 0.435 1.00 32.42 C ATOM 774 CG2 ILE A 49 2.332 -3.121 2.001 1.00 35.54 C ATOM 775 CD1 ILE A 49 0.499 -5.621 1.374 1.00 52.12 C ATOM 0 H ILE A 49 2.839 -4.543 -1.751 1.00 42.13 H new ATOM 0 HA ILE A 49 1.595 -2.213 -0.739 1.00 30.44 H new ATOM 0 HB ILE A 49 2.962 -4.576 0.565 1.00 74.34 H new ATOM 0 HG12 ILE A 49 0.024 -3.685 0.594 1.00 32.42 H new ATOM 0 HG13 ILE A 49 0.676 -4.797 -0.593 1.00 32.42 H new ATOM 0 HG21 ILE A 49 2.114 -3.850 2.781 1.00 35.54 H new ATOM 0 HG22 ILE A 49 3.348 -2.746 2.129 1.00 35.54 H new ATOM 0 HG23 ILE A 49 1.628 -2.292 2.072 1.00 35.54 H new ATOM 0 HD11 ILE A 49 -0.503 -6.006 1.184 1.00 52.12 H new ATOM 0 HD12 ILE A 49 1.230 -6.411 1.202 1.00 52.12 H new ATOM 0 HD13 ILE A 49 0.568 -5.282 2.408 1.00 52.12 H new ATOM 787 N ILE A 50 4.885 -2.497 -0.174 1.00 32.32 N ATOM 788 CA ILE A 50 6.120 -1.773 0.220 1.00 31.23 C ATOM 789 C ILE A 50 6.700 -0.928 -0.947 1.00 64.20 C ATOM 790 O ILE A 50 7.219 0.169 -0.734 1.00 63.12 O ATOM 791 CB ILE A 50 7.189 -2.788 0.774 1.00 42.30 C ATOM 792 CG1 ILE A 50 6.589 -3.608 1.961 1.00 41.44 C ATOM 793 CG2 ILE A 50 8.498 -2.079 1.192 1.00 70.53 C ATOM 794 CD1 ILE A 50 5.992 -2.770 3.089 1.00 13.22 C ATOM 0 H ILE A 50 5.024 -3.496 -0.328 1.00 32.32 H new ATOM 0 HA ILE A 50 5.857 -1.072 1.012 1.00 31.23 H new ATOM 0 HB ILE A 50 7.446 -3.475 -0.032 1.00 42.30 H new ATOM 0 HG12 ILE A 50 5.815 -4.269 1.571 1.00 41.44 H new ATOM 0 HG13 ILE A 50 7.372 -4.243 2.376 1.00 41.44 H new ATOM 0 HG21 ILE A 50 9.207 -2.816 1.568 1.00 70.53 H new ATOM 0 HG22 ILE A 50 8.927 -1.570 0.329 1.00 70.53 H new ATOM 0 HG23 ILE A 50 8.283 -1.350 1.974 1.00 70.53 H new ATOM 0 HD11 ILE A 50 5.602 -3.429 3.865 1.00 13.22 H new ATOM 0 HD12 ILE A 50 6.764 -2.128 3.513 1.00 13.22 H new ATOM 0 HD13 ILE A 50 5.183 -2.154 2.696 1.00 13.22 H new ATOM 806 N GLU A 51 6.530 -1.434 -2.170 1.00 71.43 N ATOM 807 CA GLU A 51 7.068 -0.839 -3.413 1.00 3.10 C ATOM 808 C GLU A 51 6.338 0.463 -3.682 1.00 55.44 C ATOM 809 O GLU A 51 6.949 1.531 -3.706 1.00 24.32 O ATOM 810 CB GLU A 51 6.887 -1.833 -4.611 1.00 72.33 C ATOM 811 CG GLU A 51 7.210 -1.304 -6.026 1.00 31.42 C ATOM 812 CD GLU A 51 8.694 -0.972 -6.239 1.00 62.20 C ATOM 813 OE1 GLU A 51 9.496 -1.908 -6.456 1.00 3.13 O ATOM 814 OE2 GLU A 51 9.066 0.221 -6.201 1.00 20.04 O ATOM 0 H GLU A 51 6.002 -2.291 -2.337 1.00 71.43 H new ATOM 0 HA GLU A 51 8.134 -0.641 -3.300 1.00 3.10 H new ATOM 0 HB2 GLU A 51 7.516 -2.704 -4.425 1.00 72.33 H new ATOM 0 HB3 GLU A 51 5.854 -2.180 -4.608 1.00 72.33 H new ATOM 0 HG2 GLU A 51 6.905 -2.049 -6.761 1.00 31.42 H new ATOM 0 HG3 GLU A 51 6.616 -0.409 -6.214 1.00 31.42 H new ATOM 821 N LEU A 52 5.001 0.357 -3.795 1.00 45.43 N ATOM 822 CA LEU A 52 4.144 1.489 -4.135 1.00 4.20 C ATOM 823 C LEU A 52 3.910 2.389 -2.907 1.00 35.31 C ATOM 824 O LEU A 52 3.475 3.525 -3.073 1.00 2.42 O ATOM 825 CB LEU A 52 2.817 0.998 -4.772 1.00 1.41 C ATOM 826 CG LEU A 52 2.969 0.060 -6.023 1.00 55.24 C ATOM 827 CD1 LEU A 52 1.592 -0.395 -6.555 1.00 53.23 C ATOM 828 CD2 LEU A 52 3.825 0.720 -7.136 1.00 44.32 C ATOM 0 H LEU A 52 4.494 -0.516 -3.652 1.00 45.43 H new ATOM 0 HA LEU A 52 4.650 2.101 -4.882 1.00 4.20 H new ATOM 0 HB2 LEU A 52 2.244 0.468 -4.011 1.00 1.41 H new ATOM 0 HB3 LEU A 52 2.231 1.870 -5.063 1.00 1.41 H new ATOM 0 HG LEU A 52 3.504 -0.832 -5.698 1.00 55.24 H new ATOM 0 HD11 LEU A 52 1.732 -1.043 -7.421 1.00 53.23 H new ATOM 0 HD12 LEU A 52 1.063 -0.942 -5.775 1.00 53.23 H new ATOM 0 HD13 LEU A 52 1.008 0.478 -6.846 1.00 53.23 H new ATOM 0 HD21 LEU A 52 3.907 0.040 -7.984 1.00 44.32 H new ATOM 0 HD22 LEU A 52 3.350 1.647 -7.459 1.00 44.32 H new ATOM 0 HD23 LEU A 52 4.820 0.938 -6.749 1.00 44.32 H new ATOM 840 N ALA A 53 4.182 1.879 -1.672 1.00 21.31 N ATOM 841 CA ALA A 53 4.255 2.746 -0.475 1.00 13.24 C ATOM 842 C ALA A 53 5.462 3.698 -0.570 1.00 65.14 C ATOM 843 O ALA A 53 5.284 4.915 -0.571 1.00 61.34 O ATOM 844 CB ALA A 53 4.346 1.926 0.821 1.00 60.42 C ATOM 0 H ALA A 53 4.350 0.890 -1.488 1.00 21.31 H new ATOM 0 HA ALA A 53 3.334 3.328 -0.444 1.00 13.24 H new ATOM 0 HB1 ALA A 53 4.398 2.601 1.676 1.00 60.42 H new ATOM 0 HB2 ALA A 53 3.465 1.291 0.913 1.00 60.42 H new ATOM 0 HB3 ALA A 53 5.240 1.303 0.796 1.00 60.42 H new ATOM 850 N ARG A 54 6.683 3.123 -0.682 1.00 4.11 N ATOM 851 CA ARG A 54 7.952 3.897 -0.759 1.00 43.42 C ATOM 852 C ARG A 54 7.938 4.832 -1.978 1.00 21.23 C ATOM 853 O ARG A 54 8.430 5.968 -1.921 1.00 24.34 O ATOM 854 CB ARG A 54 9.169 2.930 -0.845 1.00 73.10 C ATOM 855 CG ARG A 54 9.414 2.095 0.428 1.00 40.10 C ATOM 856 CD ARG A 54 10.425 0.948 0.226 1.00 71.03 C ATOM 857 NE ARG A 54 11.796 1.430 -0.043 1.00 62.13 N ATOM 858 CZ ARG A 54 12.576 1.050 -1.067 1.00 75.42 C ATOM 859 NH1 ARG A 54 12.148 0.174 -1.977 1.00 5.54 N ATOM 860 NH2 ARG A 54 13.807 1.531 -1.161 1.00 31.22 N ATOM 0 H ARG A 54 6.819 2.113 -0.722 1.00 4.11 H new ATOM 0 HA ARG A 54 8.043 4.501 0.144 1.00 43.42 H new ATOM 0 HB2 ARG A 54 9.020 2.252 -1.686 1.00 73.10 H new ATOM 0 HB3 ARG A 54 10.065 3.512 -1.060 1.00 73.10 H new ATOM 0 HG2 ARG A 54 9.775 2.752 1.220 1.00 40.10 H new ATOM 0 HG3 ARG A 54 8.466 1.678 0.767 1.00 40.10 H new ATOM 0 HD2 ARG A 54 10.435 0.318 1.116 1.00 71.03 H new ATOM 0 HD3 ARG A 54 10.096 0.322 -0.604 1.00 71.03 H new ATOM 0 HE ARG A 54 12.184 2.113 0.608 1.00 62.13 H new ATOM 0 HH11 ARG A 54 11.211 -0.221 -1.903 1.00 5.54 H new ATOM 0 HH12 ARG A 54 12.758 -0.101 -2.747 1.00 5.54 H new ATOM 0 HH21 ARG A 54 14.154 2.184 -0.459 1.00 31.22 H new ATOM 0 HH22 ARG A 54 14.407 1.248 -1.936 1.00 31.22 H new ATOM 874 N ASP A 55 7.332 4.334 -3.063 1.00 73.23 N ATOM 875 CA ASP A 55 7.228 5.055 -4.331 1.00 74.13 C ATOM 876 C ASP A 55 6.241 6.236 -4.182 1.00 22.00 C ATOM 877 O ASP A 55 6.585 7.353 -4.544 1.00 43.41 O ATOM 878 CB ASP A 55 6.795 4.077 -5.452 1.00 3.31 C ATOM 879 CG ASP A 55 6.993 4.624 -6.879 1.00 23.31 C ATOM 880 OD1 ASP A 55 6.162 5.420 -7.343 1.00 35.41 O ATOM 881 OD2 ASP A 55 7.982 4.245 -7.545 1.00 45.25 O ATOM 0 H ASP A 55 6.897 3.411 -3.082 1.00 73.23 H new ATOM 0 HA ASP A 55 8.198 5.468 -4.606 1.00 74.13 H new ATOM 0 HB2 ASP A 55 7.360 3.151 -5.349 1.00 3.31 H new ATOM 0 HB3 ASP A 55 5.743 3.826 -5.314 1.00 3.31 H new ATOM 886 N CYS A 56 5.033 5.983 -3.599 1.00 23.31 N ATOM 887 CA CYS A 56 4.023 7.051 -3.317 1.00 74.41 C ATOM 888 C CYS A 56 4.613 8.153 -2.432 1.00 61.15 C ATOM 889 O CYS A 56 4.370 9.334 -2.666 1.00 63.01 O ATOM 890 CB CYS A 56 2.765 6.485 -2.618 1.00 51.30 C ATOM 891 SG CYS A 56 1.502 7.725 -2.226 1.00 62.40 S ATOM 0 H CYS A 56 4.734 5.050 -3.315 1.00 23.31 H new ATOM 0 HA CYS A 56 3.739 7.465 -4.285 1.00 74.41 H new ATOM 0 HB2 CYS A 56 2.321 5.722 -3.258 1.00 51.30 H new ATOM 0 HB3 CYS A 56 3.069 5.990 -1.696 1.00 51.30 H new ATOM 0 HG CYS A 56 0.492 7.147 -1.646 1.00 62.40 H new ATOM 897 N LEU A 57 5.385 7.720 -1.415 1.00 71.51 N ATOM 898 CA LEU A 57 6.126 8.592 -0.481 1.00 0.14 C ATOM 899 C LEU A 57 7.011 9.547 -1.300 1.00 3.15 C ATOM 900 O LEU A 57 6.880 10.775 -1.211 1.00 14.44 O ATOM 901 CB LEU A 57 6.998 7.687 0.472 1.00 43.45 C ATOM 902 CG LEU A 57 7.485 8.272 1.845 1.00 22.34 C ATOM 903 CD1 LEU A 57 8.420 9.493 1.700 1.00 41.12 C ATOM 904 CD2 LEU A 57 6.284 8.583 2.748 1.00 32.52 C ATOM 0 H LEU A 57 5.514 6.728 -1.215 1.00 71.51 H new ATOM 0 HA LEU A 57 5.444 9.184 0.129 1.00 0.14 H new ATOM 0 HB2 LEU A 57 6.424 6.785 0.684 1.00 43.45 H new ATOM 0 HB3 LEU A 57 7.882 7.379 -0.086 1.00 43.45 H new ATOM 0 HG LEU A 57 8.092 7.500 2.318 1.00 22.34 H new ATOM 0 HD11 LEU A 57 8.716 9.844 2.689 1.00 41.12 H new ATOM 0 HD12 LEU A 57 9.307 9.207 1.135 1.00 41.12 H new ATOM 0 HD13 LEU A 57 7.897 10.291 1.174 1.00 41.12 H new ATOM 0 HD21 LEU A 57 6.637 8.988 3.696 1.00 32.52 H new ATOM 0 HD22 LEU A 57 5.640 9.314 2.259 1.00 32.52 H new ATOM 0 HD23 LEU A 57 5.720 7.668 2.931 1.00 32.52 H new ATOM 916 N THR A 58 7.869 8.928 -2.127 1.00 12.12 N ATOM 917 CA THR A 58 8.820 9.622 -3.000 1.00 65.32 C ATOM 918 C THR A 58 8.115 10.604 -3.973 1.00 70.41 C ATOM 919 O THR A 58 8.602 11.715 -4.172 1.00 74.23 O ATOM 920 CB THR A 58 9.691 8.562 -3.766 1.00 31.13 C ATOM 921 OG1 THR A 58 10.473 7.821 -2.813 1.00 70.51 O ATOM 922 CG2 THR A 58 10.628 9.178 -4.825 1.00 31.34 C ATOM 0 H THR A 58 7.919 7.912 -2.206 1.00 12.12 H new ATOM 0 HA THR A 58 9.474 10.236 -2.381 1.00 65.32 H new ATOM 0 HB THR A 58 8.999 7.914 -4.304 1.00 31.13 H new ATOM 0 HG1 THR A 58 9.916 7.129 -2.400 1.00 70.51 H new ATOM 0 HG21 THR A 58 11.197 8.386 -5.312 1.00 31.34 H new ATOM 0 HG22 THR A 58 10.036 9.710 -5.570 1.00 31.34 H new ATOM 0 HG23 THR A 58 11.314 9.874 -4.343 1.00 31.34 H new ATOM 930 N LYS A 59 6.941 10.209 -4.514 1.00 44.22 N ATOM 931 CA LYS A 59 6.193 11.021 -5.505 1.00 1.45 C ATOM 932 C LYS A 59 5.378 12.155 -4.826 1.00 61.54 C ATOM 933 O LYS A 59 5.104 13.178 -5.458 1.00 63.30 O ATOM 934 CB LYS A 59 5.238 10.119 -6.347 1.00 35.31 C ATOM 935 CG LYS A 59 5.897 8.943 -7.099 1.00 74.51 C ATOM 936 CD LYS A 59 6.985 9.372 -8.101 1.00 43.55 C ATOM 937 CE LYS A 59 7.711 8.167 -8.729 1.00 2.31 C ATOM 938 NZ LYS A 59 6.792 7.239 -9.440 1.00 14.00 N ATOM 0 H LYS A 59 6.487 9.326 -4.280 1.00 44.22 H new ATOM 0 HA LYS A 59 6.930 11.481 -6.164 1.00 1.45 H new ATOM 0 HB2 LYS A 59 4.474 9.715 -5.683 1.00 35.31 H new ATOM 0 HB3 LYS A 59 4.727 10.748 -7.076 1.00 35.31 H new ATOM 0 HG2 LYS A 59 6.336 8.260 -6.372 1.00 74.51 H new ATOM 0 HG3 LYS A 59 5.125 8.388 -7.632 1.00 74.51 H new ATOM 0 HD2 LYS A 59 6.532 9.972 -8.890 1.00 43.55 H new ATOM 0 HD3 LYS A 59 7.712 10.007 -7.595 1.00 43.55 H new ATOM 0 HE2 LYS A 59 8.465 8.529 -9.428 1.00 2.31 H new ATOM 0 HE3 LYS A 59 8.237 7.620 -7.947 1.00 2.31 H new ATOM 0 HZ1 LYS A 59 7.295 6.793 -10.234 1.00 14.00 H new ATOM 0 HZ2 LYS A 59 6.463 6.504 -8.782 1.00 14.00 H new ATOM 0 HZ3 LYS A 59 5.974 7.770 -9.802 1.00 14.00 H new ATOM 952 N SER A 60 4.972 11.957 -3.553 1.00 43.14 N ATOM 953 CA SER A 60 4.164 12.946 -2.797 1.00 51.02 C ATOM 954 C SER A 60 5.009 14.180 -2.421 1.00 33.32 C ATOM 955 O SER A 60 4.650 15.314 -2.755 1.00 52.11 O ATOM 956 CB SER A 60 3.561 12.308 -1.522 1.00 43.14 C ATOM 957 OG SER A 60 2.637 11.283 -1.833 1.00 30.42 O ATOM 0 H SER A 60 5.192 11.115 -3.021 1.00 43.14 H new ATOM 0 HA SER A 60 3.349 13.269 -3.444 1.00 51.02 H new ATOM 0 HB2 SER A 60 4.362 11.900 -0.906 1.00 43.14 H new ATOM 0 HB3 SER A 60 3.065 13.077 -0.931 1.00 43.14 H new ATOM 0 HG SER A 60 3.122 10.455 -2.034 1.00 30.42 H new ATOM 963 N ARG A 61 6.147 13.927 -1.740 1.00 11.12 N ATOM 964 CA ARG A 61 7.074 14.991 -1.280 1.00 50.11 C ATOM 965 C ARG A 61 7.838 15.629 -2.462 1.00 54.33 C ATOM 966 O ARG A 61 8.383 16.731 -2.336 1.00 42.23 O ATOM 967 CB ARG A 61 8.031 14.428 -0.175 1.00 0.31 C ATOM 968 CG ARG A 61 8.892 13.188 -0.562 1.00 71.14 C ATOM 969 CD ARG A 61 10.236 13.542 -1.225 1.00 42.41 C ATOM 970 NE ARG A 61 10.942 12.347 -1.724 1.00 54.41 N ATOM 971 CZ ARG A 61 12.011 12.368 -2.540 1.00 14.33 C ATOM 972 NH1 ARG A 61 12.525 13.524 -2.952 1.00 24.34 N ATOM 973 NH2 ARG A 61 12.558 11.223 -2.934 1.00 3.53 N ATOM 0 H ARG A 61 6.451 12.985 -1.493 1.00 11.12 H new ATOM 0 HA ARG A 61 6.491 15.796 -0.832 1.00 50.11 H new ATOM 0 HB2 ARG A 61 8.705 15.228 0.132 1.00 0.31 H new ATOM 0 HB3 ARG A 61 7.429 14.167 0.696 1.00 0.31 H new ATOM 0 HG2 ARG A 61 9.085 12.598 0.334 1.00 71.14 H new ATOM 0 HG3 ARG A 61 8.318 12.558 -1.241 1.00 71.14 H new ATOM 0 HD2 ARG A 61 10.061 14.231 -2.052 1.00 42.41 H new ATOM 0 HD3 ARG A 61 10.869 14.062 -0.505 1.00 42.41 H new ATOM 0 HE ARG A 61 10.593 11.435 -1.428 1.00 54.41 H new ATOM 0 HH11 ARG A 61 12.108 14.404 -2.649 1.00 24.34 H new ATOM 0 HH12 ARG A 61 13.336 13.530 -3.571 1.00 24.34 H new ATOM 0 HH21 ARG A 61 12.167 10.336 -2.618 1.00 3.53 H new ATOM 0 HH22 ARG A 61 13.369 11.231 -3.553 1.00 3.53 H new ATOM 987 N ASP A 62 7.885 14.908 -3.598 1.00 22.33 N ATOM 988 CA ASP A 62 8.414 15.441 -4.872 1.00 65.34 C ATOM 989 C ASP A 62 7.379 16.394 -5.505 1.00 43.42 C ATOM 990 O ASP A 62 7.728 17.457 -6.033 1.00 33.52 O ATOM 991 CB ASP A 62 8.727 14.275 -5.845 1.00 31.35 C ATOM 992 CG ASP A 62 9.397 14.719 -7.160 1.00 21.42 C ATOM 993 OD1 ASP A 62 8.681 15.075 -8.119 1.00 73.44 O ATOM 994 OD2 ASP A 62 10.647 14.691 -7.243 1.00 33.43 O ATOM 0 H ASP A 62 7.559 13.943 -3.661 1.00 22.33 H new ATOM 0 HA ASP A 62 9.334 15.992 -4.676 1.00 65.34 H new ATOM 0 HB2 ASP A 62 9.377 13.560 -5.341 1.00 31.35 H new ATOM 0 HB3 ASP A 62 7.800 13.752 -6.080 1.00 31.35 H new ATOM 999 N GLY A 63 6.100 15.976 -5.423 1.00 40.21 N ATOM 1000 CA GLY A 63 4.977 16.672 -6.064 1.00 14.34 C ATOM 1001 C GLY A 63 4.586 16.027 -7.402 1.00 13.24 C ATOM 1002 O GLY A 63 3.753 16.574 -8.135 1.00 63.03 O ATOM 0 H GLY A 63 5.821 15.142 -4.907 1.00 40.21 H new ATOM 0 HA2 GLY A 63 4.117 16.666 -5.394 1.00 14.34 H new ATOM 0 HA3 GLY A 63 5.245 17.716 -6.230 1.00 14.34 H new ATOM 1006 N LEU A 64 5.204 14.857 -7.724 1.00 15.35 N ATOM 1007 CA LEU A 64 4.993 14.139 -9.006 1.00 65.40 C ATOM 1008 C LEU A 64 3.608 13.471 -9.052 1.00 22.33 C ATOM 1009 O LEU A 64 3.081 13.220 -10.152 1.00 74.45 O ATOM 1010 CB LEU A 64 6.166 13.123 -9.259 1.00 25.24 C ATOM 1011 CG LEU A 64 6.369 12.612 -10.746 1.00 2.04 C ATOM 1012 CD1 LEU A 64 7.866 12.386 -11.090 1.00 53.20 C ATOM 1013 CD2 LEU A 64 5.563 11.325 -11.037 1.00 22.23 C ATOM 0 H LEU A 64 5.861 14.388 -7.100 1.00 15.35 H new ATOM 0 HA LEU A 64 5.008 14.862 -9.821 1.00 65.40 H new ATOM 0 HB2 LEU A 64 7.095 13.590 -8.932 1.00 25.24 H new ATOM 0 HB3 LEU A 64 6.004 12.254 -8.621 1.00 25.24 H new ATOM 0 HG LEU A 64 5.987 13.407 -11.386 1.00 2.04 H new ATOM 0 HD11 LEU A 64 7.954 12.036 -12.119 1.00 53.20 H new ATOM 0 HD12 LEU A 64 8.411 13.323 -10.977 1.00 53.20 H new ATOM 0 HD13 LEU A 64 8.286 11.639 -10.416 1.00 53.20 H new ATOM 0 HD21 LEU A 64 5.734 11.014 -12.067 1.00 22.23 H new ATOM 0 HD22 LEU A 64 5.885 10.533 -10.361 1.00 22.23 H new ATOM 0 HD23 LEU A 64 4.501 11.519 -10.888 1.00 22.23 H new ATOM 1025 N ILE A 65 2.984 13.204 -7.874 1.00 40.00 N ATOM 1026 CA ILE A 65 1.584 12.716 -7.860 1.00 74.11 C ATOM 1027 C ILE A 65 0.659 13.835 -8.377 1.00 21.43 C ATOM 1028 O ILE A 65 0.288 14.761 -7.638 1.00 4.51 O ATOM 1029 CB ILE A 65 1.032 12.208 -6.461 1.00 33.34 C ATOM 1030 CG1 ILE A 65 1.930 11.080 -5.892 1.00 1.52 C ATOM 1031 CG2 ILE A 65 -0.445 11.709 -6.593 1.00 63.10 C ATOM 1032 CD1 ILE A 65 1.453 10.438 -4.588 1.00 71.33 C ATOM 0 H ILE A 65 3.411 13.314 -6.954 1.00 40.00 H new ATOM 0 HA ILE A 65 1.588 11.835 -8.502 1.00 74.11 H new ATOM 0 HB ILE A 65 1.052 13.049 -5.768 1.00 33.34 H new ATOM 0 HG12 ILE A 65 2.020 10.299 -6.647 1.00 1.52 H new ATOM 0 HG13 ILE A 65 2.929 11.484 -5.731 1.00 1.52 H new ATOM 0 HG21 ILE A 65 -0.801 11.366 -5.622 1.00 63.10 H new ATOM 0 HG22 ILE A 65 -1.075 12.527 -6.943 1.00 63.10 H new ATOM 0 HG23 ILE A 65 -0.489 10.886 -7.307 1.00 63.10 H new ATOM 0 HD11 ILE A 65 2.158 9.664 -4.285 1.00 71.33 H new ATOM 0 HD12 ILE A 65 1.392 11.198 -3.809 1.00 71.33 H new ATOM 0 HD13 ILE A 65 0.469 9.994 -4.740 1.00 71.33 H new ATOM 1044 N THR A 66 0.351 13.741 -9.671 1.00 3.34 N ATOM 1045 CA THR A 66 -0.592 14.617 -10.362 1.00 34.21 C ATOM 1046 C THR A 66 -2.000 14.402 -9.768 1.00 72.44 C ATOM 1047 O THR A 66 -2.659 15.337 -9.310 1.00 45.43 O ATOM 1048 CB THR A 66 -0.564 14.285 -11.897 1.00 15.52 C ATOM 1049 OG1 THR A 66 -0.920 12.895 -12.113 1.00 12.41 O ATOM 1050 CG2 THR A 66 0.832 14.536 -12.502 1.00 73.35 C ATOM 0 H THR A 66 0.762 13.035 -10.282 1.00 3.34 H new ATOM 0 HA THR A 66 -0.318 15.664 -10.231 1.00 34.21 H new ATOM 0 HB THR A 66 -1.285 14.940 -12.386 1.00 15.52 H new ATOM 0 HG1 THR A 66 -0.901 12.698 -13.073 1.00 12.41 H new ATOM 0 HG21 THR A 66 0.816 14.296 -13.565 1.00 73.35 H new ATOM 0 HG22 THR A 66 1.103 15.584 -12.370 1.00 73.35 H new ATOM 0 HG23 THR A 66 1.565 13.906 -11.999 1.00 73.35 H new ATOM 1058 N THR A 67 -2.385 13.110 -9.748 1.00 33.23 N ATOM 1059 CA THR A 67 -3.632 12.591 -9.153 1.00 31.23 C ATOM 1060 C THR A 67 -3.710 11.071 -9.457 1.00 52.31 C ATOM 1061 O THR A 67 -4.139 10.271 -8.612 1.00 53.15 O ATOM 1062 CB THR A 67 -4.941 13.302 -9.667 1.00 42.01 C ATOM 1063 OG1 THR A 67 -6.079 12.843 -8.910 1.00 63.22 O ATOM 1064 CG2 THR A 67 -5.183 13.068 -11.166 1.00 22.23 C ATOM 0 H THR A 67 -1.814 12.372 -10.161 1.00 33.23 H new ATOM 0 HA THR A 67 -3.590 12.795 -8.083 1.00 31.23 H new ATOM 0 HB THR A 67 -4.806 14.374 -9.522 1.00 42.01 H new ATOM 0 HG1 THR A 67 -6.889 13.290 -9.234 1.00 63.22 H new ATOM 0 HG21 THR A 67 -6.097 13.578 -11.471 1.00 22.23 H new ATOM 0 HG22 THR A 67 -4.341 13.460 -11.736 1.00 22.23 H new ATOM 0 HG23 THR A 67 -5.284 11.999 -11.356 1.00 22.23 H new ATOM 1072 N VAL A 68 -3.190 10.694 -10.654 1.00 63.11 N ATOM 1073 CA VAL A 68 -3.343 9.349 -11.265 1.00 64.12 C ATOM 1074 C VAL A 68 -2.722 8.250 -10.388 1.00 64.14 C ATOM 1075 O VAL A 68 -3.170 7.104 -10.433 1.00 42.12 O ATOM 1076 CB VAL A 68 -2.702 9.332 -12.720 1.00 61.02 C ATOM 1077 CG1 VAL A 68 -2.879 7.957 -13.446 1.00 63.32 C ATOM 1078 CG2 VAL A 68 -3.288 10.491 -13.568 1.00 13.24 C ATOM 0 H VAL A 68 -2.642 11.330 -11.233 1.00 63.11 H new ATOM 0 HA VAL A 68 -4.410 9.138 -11.343 1.00 64.12 H new ATOM 0 HB VAL A 68 -1.628 9.477 -12.605 1.00 61.02 H new ATOM 0 HG11 VAL A 68 -2.422 8.006 -14.434 1.00 63.32 H new ATOM 0 HG12 VAL A 68 -2.398 7.173 -12.862 1.00 63.32 H new ATOM 0 HG13 VAL A 68 -3.941 7.734 -13.548 1.00 63.32 H new ATOM 0 HG21 VAL A 68 -2.845 10.474 -14.564 1.00 13.24 H new ATOM 0 HG22 VAL A 68 -4.368 10.372 -13.650 1.00 13.24 H new ATOM 0 HG23 VAL A 68 -3.063 11.443 -13.087 1.00 13.24 H new ATOM 1088 N TYR A 69 -1.711 8.617 -9.549 1.00 32.44 N ATOM 1089 CA TYR A 69 -1.015 7.642 -8.700 1.00 75.12 C ATOM 1090 C TYR A 69 -1.991 6.975 -7.712 1.00 1.13 C ATOM 1091 O TYR A 69 -1.943 5.771 -7.539 1.00 54.41 O ATOM 1092 CB TYR A 69 0.184 8.261 -7.931 1.00 72.35 C ATOM 1093 CG TYR A 69 1.147 7.180 -7.430 1.00 40.44 C ATOM 1094 CD1 TYR A 69 0.929 6.509 -6.223 1.00 15.14 C ATOM 1095 CD2 TYR A 69 2.229 6.774 -8.213 1.00 1.53 C ATOM 1096 CE1 TYR A 69 1.757 5.492 -5.817 1.00 33.14 C ATOM 1097 CE2 TYR A 69 3.051 5.747 -7.815 1.00 63.20 C ATOM 1098 CZ TYR A 69 2.809 5.111 -6.614 1.00 11.21 C ATOM 1099 OH TYR A 69 3.610 4.076 -6.220 1.00 2.23 O ATOM 0 H TYR A 69 -1.373 9.574 -9.453 1.00 32.44 H new ATOM 0 HA TYR A 69 -0.611 6.884 -9.372 1.00 75.12 H new ATOM 0 HB2 TYR A 69 0.718 8.952 -8.583 1.00 72.35 H new ATOM 0 HB3 TYR A 69 -0.185 8.841 -7.085 1.00 72.35 H new ATOM 0 HD1 TYR A 69 0.095 6.796 -5.599 1.00 15.14 H new ATOM 0 HD2 TYR A 69 2.424 7.276 -9.149 1.00 1.53 H new ATOM 0 HE1 TYR A 69 1.582 4.994 -4.875 1.00 33.14 H new ATOM 0 HE2 TYR A 69 3.879 5.440 -8.437 1.00 63.20 H new ATOM 0 HH TYR A 69 3.531 3.952 -5.251 1.00 2.23 H new ATOM 1109 N PHE A 70 -2.889 7.777 -7.102 1.00 1.55 N ATOM 1110 CA PHE A 70 -3.878 7.266 -6.122 1.00 24.51 C ATOM 1111 C PHE A 70 -4.894 6.323 -6.795 1.00 12.40 C ATOM 1112 O PHE A 70 -5.351 5.362 -6.165 1.00 44.25 O ATOM 1113 CB PHE A 70 -4.598 8.434 -5.383 1.00 42.54 C ATOM 1114 CG PHE A 70 -3.696 9.250 -4.447 1.00 12.50 C ATOM 1115 CD1 PHE A 70 -2.726 8.623 -3.654 1.00 43.22 C ATOM 1116 CD2 PHE A 70 -3.826 10.638 -4.347 1.00 65.24 C ATOM 1117 CE1 PHE A 70 -1.920 9.357 -2.802 1.00 74.35 C ATOM 1118 CE2 PHE A 70 -3.021 11.369 -3.492 1.00 73.42 C ATOM 1119 CZ PHE A 70 -2.069 10.729 -2.722 1.00 52.24 C ATOM 0 H PHE A 70 -2.952 8.781 -7.269 1.00 1.55 H new ATOM 0 HA PHE A 70 -3.333 6.688 -5.375 1.00 24.51 H new ATOM 0 HB2 PHE A 70 -5.030 9.105 -6.126 1.00 42.54 H new ATOM 0 HB3 PHE A 70 -5.425 8.025 -4.803 1.00 42.54 H new ATOM 0 HD1 PHE A 70 -2.606 7.551 -3.709 1.00 43.22 H new ATOM 0 HD2 PHE A 70 -4.566 11.147 -4.946 1.00 65.24 H new ATOM 0 HE1 PHE A 70 -1.175 8.858 -2.200 1.00 74.35 H new ATOM 0 HE2 PHE A 70 -3.137 12.441 -3.426 1.00 73.42 H new ATOM 0 HZ PHE A 70 -1.440 11.302 -2.056 1.00 52.24 H new ATOM 1129 N TYR A 71 -5.208 6.590 -8.085 1.00 14.23 N ATOM 1130 CA TYR A 71 -6.067 5.708 -8.902 1.00 15.13 C ATOM 1131 C TYR A 71 -5.383 4.347 -9.077 1.00 75.22 C ATOM 1132 O TYR A 71 -5.930 3.323 -8.690 1.00 21.35 O ATOM 1133 CB TYR A 71 -6.359 6.323 -10.302 1.00 12.20 C ATOM 1134 CG TYR A 71 -7.209 7.607 -10.289 1.00 71.32 C ATOM 1135 CD1 TYR A 71 -6.676 8.821 -9.857 1.00 74.24 C ATOM 1136 CD2 TYR A 71 -8.544 7.606 -10.716 1.00 23.44 C ATOM 1137 CE1 TYR A 71 -7.429 9.978 -9.846 1.00 73.43 C ATOM 1138 CE2 TYR A 71 -9.299 8.765 -10.707 1.00 0.45 C ATOM 1139 CZ TYR A 71 -8.736 9.947 -10.271 1.00 51.31 C ATOM 1140 OH TYR A 71 -9.488 11.105 -10.263 1.00 72.04 O ATOM 0 H TYR A 71 -4.875 7.416 -8.583 1.00 14.23 H new ATOM 0 HA TYR A 71 -7.017 5.590 -8.381 1.00 15.13 H new ATOM 0 HB2 TYR A 71 -5.409 6.540 -10.791 1.00 12.20 H new ATOM 0 HB3 TYR A 71 -6.868 5.576 -10.911 1.00 12.20 H new ATOM 0 HD1 TYR A 71 -5.650 8.857 -9.523 1.00 74.24 H new ATOM 0 HD2 TYR A 71 -8.991 6.684 -11.058 1.00 23.44 H new ATOM 0 HE1 TYR A 71 -6.992 10.905 -9.504 1.00 73.43 H new ATOM 0 HE2 TYR A 71 -10.326 8.745 -11.040 1.00 0.45 H new ATOM 0 HH TYR A 71 -10.390 10.912 -10.594 1.00 72.04 H new ATOM 1150 N GLU A 72 -4.148 4.373 -9.616 1.00 70.03 N ATOM 1151 CA GLU A 72 -3.381 3.150 -9.940 1.00 62.13 C ATOM 1152 C GLU A 72 -2.984 2.369 -8.664 1.00 34.35 C ATOM 1153 O GLU A 72 -2.914 1.148 -8.689 1.00 44.31 O ATOM 1154 CB GLU A 72 -2.121 3.501 -10.782 1.00 52.13 C ATOM 1155 CG GLU A 72 -2.392 4.335 -12.063 1.00 1.11 C ATOM 1156 CD GLU A 72 -3.478 3.748 -12.994 1.00 3.22 C ATOM 1157 OE1 GLU A 72 -3.349 2.573 -13.404 1.00 15.22 O ATOM 1158 OE2 GLU A 72 -4.441 4.470 -13.352 1.00 64.43 O ATOM 0 H GLU A 72 -3.654 5.237 -9.839 1.00 70.03 H new ATOM 0 HA GLU A 72 -4.028 2.503 -10.533 1.00 62.13 H new ATOM 0 HB2 GLU A 72 -1.424 4.051 -10.150 1.00 52.13 H new ATOM 0 HB3 GLU A 72 -1.626 2.573 -11.070 1.00 52.13 H new ATOM 0 HG2 GLU A 72 -2.689 5.342 -11.769 1.00 1.11 H new ATOM 0 HG3 GLU A 72 -1.462 4.428 -12.624 1.00 1.11 H new ATOM 1165 N LEU A 73 -2.759 3.102 -7.556 1.00 11.42 N ATOM 1166 CA LEU A 73 -2.381 2.538 -6.238 1.00 32.12 C ATOM 1167 C LEU A 73 -3.575 1.781 -5.635 1.00 31.00 C ATOM 1168 O LEU A 73 -3.446 0.604 -5.251 1.00 43.44 O ATOM 1169 CB LEU A 73 -1.917 3.683 -5.277 1.00 10.23 C ATOM 1170 CG LEU A 73 -1.582 3.294 -3.794 1.00 54.22 C ATOM 1171 CD1 LEU A 73 -0.355 2.361 -3.714 1.00 65.32 C ATOM 1172 CD2 LEU A 73 -1.400 4.556 -2.908 1.00 2.24 C ATOM 0 H LEU A 73 -2.835 4.119 -7.548 1.00 11.42 H new ATOM 0 HA LEU A 73 -1.553 1.841 -6.370 1.00 32.12 H new ATOM 0 HB2 LEU A 73 -1.032 4.148 -5.711 1.00 10.23 H new ATOM 0 HB3 LEU A 73 -2.699 4.443 -5.257 1.00 10.23 H new ATOM 0 HG LEU A 73 -2.433 2.738 -3.401 1.00 54.22 H new ATOM 0 HD11 LEU A 73 -0.154 2.113 -2.672 1.00 65.32 H new ATOM 0 HD12 LEU A 73 -0.556 1.447 -4.272 1.00 65.32 H new ATOM 0 HD13 LEU A 73 0.513 2.863 -4.142 1.00 65.32 H new ATOM 0 HD21 LEU A 73 -1.169 4.253 -1.887 1.00 2.24 H new ATOM 0 HD22 LEU A 73 -0.583 5.162 -3.301 1.00 2.24 H new ATOM 0 HD23 LEU A 73 -2.320 5.140 -2.914 1.00 2.24 H new ATOM 1184 N GLN A 74 -4.743 2.467 -5.588 1.00 23.31 N ATOM 1185 CA GLN A 74 -5.985 1.896 -5.028 1.00 42.22 C ATOM 1186 C GLN A 74 -6.425 0.675 -5.845 1.00 22.14 C ATOM 1187 O GLN A 74 -6.651 -0.399 -5.289 1.00 44.10 O ATOM 1188 CB GLN A 74 -7.114 2.973 -4.983 1.00 34.44 C ATOM 1189 CG GLN A 74 -8.471 2.512 -4.353 1.00 73.43 C ATOM 1190 CD GLN A 74 -9.589 2.208 -5.364 1.00 12.32 C ATOM 1191 OE1 GLN A 74 -9.342 1.823 -6.506 1.00 53.44 O ATOM 1192 NE2 GLN A 74 -10.831 2.374 -4.941 1.00 3.22 N ATOM 0 H GLN A 74 -4.847 3.421 -5.934 1.00 23.31 H new ATOM 0 HA GLN A 74 -5.789 1.572 -4.006 1.00 42.22 H new ATOM 0 HB2 GLN A 74 -6.748 3.833 -4.422 1.00 34.44 H new ATOM 0 HB3 GLN A 74 -7.305 3.315 -6.000 1.00 34.44 H new ATOM 0 HG2 GLN A 74 -8.291 1.619 -3.754 1.00 73.43 H new ATOM 0 HG3 GLN A 74 -8.820 3.288 -3.671 1.00 73.43 H new ATOM 0 HE21 GLN A 74 -11.007 2.694 -3.989 1.00 3.22 H new ATOM 0 HE22 GLN A 74 -11.613 2.182 -5.567 1.00 3.22 H new ATOM 1201 N GLU A 75 -6.489 0.861 -7.174 1.00 33.34 N ATOM 1202 CA GLU A 75 -6.931 -0.172 -8.122 1.00 12.45 C ATOM 1203 C GLU A 75 -5.989 -1.384 -8.125 1.00 50.31 C ATOM 1204 O GLU A 75 -6.470 -2.519 -8.177 1.00 24.14 O ATOM 1205 CB GLU A 75 -7.089 0.427 -9.548 1.00 33.04 C ATOM 1206 CG GLU A 75 -8.310 1.368 -9.701 1.00 22.11 C ATOM 1207 CD GLU A 75 -8.327 2.167 -11.018 1.00 75.24 C ATOM 1208 OE1 GLU A 75 -8.320 1.544 -12.107 1.00 71.24 O ATOM 1209 OE2 GLU A 75 -8.356 3.420 -10.974 1.00 34.40 O ATOM 0 H GLU A 75 -6.233 1.740 -7.623 1.00 33.34 H new ATOM 0 HA GLU A 75 -7.906 -0.530 -7.793 1.00 12.45 H new ATOM 0 HB2 GLU A 75 -6.184 0.978 -9.802 1.00 33.04 H new ATOM 0 HB3 GLU A 75 -7.178 -0.388 -10.266 1.00 33.04 H new ATOM 0 HG2 GLU A 75 -9.222 0.775 -9.636 1.00 22.11 H new ATOM 0 HG3 GLU A 75 -8.324 2.067 -8.864 1.00 22.11 H new ATOM 1216 N ASN A 76 -4.655 -1.144 -8.035 1.00 55.33 N ATOM 1217 CA ASN A 76 -3.660 -2.229 -7.946 1.00 11.25 C ATOM 1218 C ASN A 76 -3.884 -3.051 -6.674 1.00 24.21 C ATOM 1219 O ASN A 76 -4.133 -4.251 -6.754 1.00 41.41 O ATOM 1220 CB ASN A 76 -2.211 -1.656 -7.973 1.00 72.52 C ATOM 1221 CG ASN A 76 -1.127 -2.713 -7.746 1.00 53.03 C ATOM 1222 OD1 ASN A 76 -0.710 -2.872 -6.501 1.00 3.53 O flip ATOM 1223 ND2 ASN A 76 -0.646 -3.354 -8.680 1.00 61.12 N flip ATOM 0 H ASN A 76 -4.251 -0.208 -8.023 1.00 55.33 H new ATOM 0 HA ASN A 76 -3.785 -2.880 -8.811 1.00 11.25 H new ATOM 0 HB2 ASN A 76 -2.039 -1.172 -8.935 1.00 72.52 H new ATOM 0 HB3 ASN A 76 -2.120 -0.885 -7.208 1.00 72.52 H new ATOM 0 HD21 ASN A 76 -0.990 -3.208 -9.629 1.00 61.12 H new ATOM 0 HD22 ASN A 76 0.096 -4.031 -8.505 1.00 61.12 H new ATOM 1230 N LEU A 77 -3.839 -2.378 -5.507 1.00 31.05 N ATOM 1231 CA LEU A 77 -3.906 -3.050 -4.196 1.00 60.22 C ATOM 1232 C LEU A 77 -5.301 -3.646 -3.899 1.00 71.35 C ATOM 1233 O LEU A 77 -5.390 -4.568 -3.103 1.00 51.14 O ATOM 1234 CB LEU A 77 -3.450 -2.093 -3.055 1.00 54.43 C ATOM 1235 CG LEU A 77 -1.933 -1.693 -3.050 1.00 43.51 C ATOM 1236 CD1 LEU A 77 -1.608 -0.751 -1.867 1.00 5.35 C ATOM 1237 CD2 LEU A 77 -1.016 -2.947 -3.038 1.00 54.40 C ATOM 0 H LEU A 77 -3.756 -1.363 -5.447 1.00 31.05 H new ATOM 0 HA LEU A 77 -3.213 -3.890 -4.240 1.00 60.22 H new ATOM 0 HB2 LEU A 77 -4.044 -1.181 -3.115 1.00 54.43 H new ATOM 0 HB3 LEU A 77 -3.683 -2.563 -2.100 1.00 54.43 H new ATOM 0 HG LEU A 77 -1.733 -1.149 -3.973 1.00 43.51 H new ATOM 0 HD11 LEU A 77 -0.550 -0.491 -1.889 1.00 5.35 H new ATOM 0 HD12 LEU A 77 -2.207 0.156 -1.949 1.00 5.35 H new ATOM 0 HD13 LEU A 77 -1.838 -1.254 -0.928 1.00 5.35 H new ATOM 0 HD21 LEU A 77 0.028 -2.634 -3.035 1.00 54.40 H new ATOM 0 HD22 LEU A 77 -1.220 -3.539 -2.146 1.00 54.40 H new ATOM 0 HD23 LEU A 77 -1.212 -3.549 -3.925 1.00 54.40 H new ATOM 1249 N GLU A 78 -6.374 -3.129 -4.544 1.00 71.05 N ATOM 1250 CA GLU A 78 -7.756 -3.658 -4.364 1.00 11.54 C ATOM 1251 C GLU A 78 -7.980 -4.894 -5.264 1.00 70.12 C ATOM 1252 O GLU A 78 -8.612 -5.879 -4.849 1.00 11.32 O ATOM 1253 CB GLU A 78 -8.820 -2.570 -4.660 1.00 61.43 C ATOM 1254 CG GLU A 78 -10.274 -2.991 -4.336 1.00 60.14 C ATOM 1255 CD GLU A 78 -11.323 -1.923 -4.695 1.00 24.24 C ATOM 1256 OE1 GLU A 78 -11.395 -1.528 -5.877 1.00 12.52 O ATOM 1257 OE2 GLU A 78 -12.104 -1.504 -3.811 1.00 20.11 O ATOM 0 H GLU A 78 -6.313 -2.346 -5.195 1.00 71.05 H new ATOM 0 HA GLU A 78 -7.868 -3.957 -3.322 1.00 11.54 H new ATOM 0 HB2 GLU A 78 -8.577 -1.676 -4.086 1.00 61.43 H new ATOM 0 HB3 GLU A 78 -8.760 -2.298 -5.714 1.00 61.43 H new ATOM 0 HG2 GLU A 78 -10.505 -3.910 -4.875 1.00 60.14 H new ATOM 0 HG3 GLU A 78 -10.349 -3.218 -3.272 1.00 60.14 H new ATOM 1264 N LYS A 79 -7.452 -4.822 -6.502 1.00 0.14 N ATOM 1265 CA LYS A 79 -7.366 -5.979 -7.429 1.00 4.04 C ATOM 1266 C LYS A 79 -6.578 -7.127 -6.767 1.00 24.10 C ATOM 1267 O LYS A 79 -6.984 -8.287 -6.810 1.00 63.32 O ATOM 1268 CB LYS A 79 -6.661 -5.515 -8.733 1.00 74.44 C ATOM 1269 CG LYS A 79 -6.214 -6.618 -9.724 1.00 53.11 C ATOM 1270 CD LYS A 79 -5.240 -6.064 -10.795 1.00 11.43 C ATOM 1271 CE LYS A 79 -3.944 -5.490 -10.184 1.00 15.45 C ATOM 1272 NZ LYS A 79 -3.022 -4.972 -11.223 1.00 32.32 N ATOM 0 H LYS A 79 -7.071 -3.960 -6.892 1.00 0.14 H new ATOM 0 HA LYS A 79 -8.365 -6.346 -7.665 1.00 4.04 H new ATOM 0 HB2 LYS A 79 -7.335 -4.840 -9.260 1.00 74.44 H new ATOM 0 HB3 LYS A 79 -5.782 -4.934 -8.454 1.00 74.44 H new ATOM 0 HG2 LYS A 79 -5.731 -7.426 -9.175 1.00 53.11 H new ATOM 0 HG3 LYS A 79 -7.090 -7.044 -10.214 1.00 53.11 H new ATOM 0 HD2 LYS A 79 -4.985 -6.860 -11.494 1.00 11.43 H new ATOM 0 HD3 LYS A 79 -5.742 -5.285 -11.368 1.00 11.43 H new ATOM 0 HE2 LYS A 79 -4.195 -4.688 -9.490 1.00 15.45 H new ATOM 0 HE3 LYS A 79 -3.441 -6.266 -9.607 1.00 15.45 H new ATOM 0 HZ1 LYS A 79 -2.165 -4.596 -10.770 1.00 32.32 H new ATOM 0 HZ2 LYS A 79 -2.762 -5.742 -11.871 1.00 32.32 H new ATOM 0 HZ3 LYS A 79 -3.492 -4.214 -11.758 1.00 32.32 H new ATOM 1286 N LEU A 80 -5.464 -6.750 -6.121 1.00 14.14 N ATOM 1287 CA LEU A 80 -4.568 -7.681 -5.419 1.00 1.13 C ATOM 1288 C LEU A 80 -5.149 -8.107 -4.058 1.00 4.24 C ATOM 1289 O LEU A 80 -4.834 -9.180 -3.565 1.00 71.43 O ATOM 1290 CB LEU A 80 -3.171 -7.046 -5.250 1.00 50.11 C ATOM 1291 CG LEU A 80 -2.315 -6.886 -6.546 1.00 50.14 C ATOM 1292 CD1 LEU A 80 -0.963 -6.223 -6.224 1.00 62.34 C ATOM 1293 CD2 LEU A 80 -2.125 -8.243 -7.273 1.00 5.41 C ATOM 0 H LEU A 80 -5.157 -5.779 -6.071 1.00 14.14 H new ATOM 0 HA LEU A 80 -4.472 -8.582 -6.025 1.00 1.13 H new ATOM 0 HB2 LEU A 80 -3.297 -6.061 -4.801 1.00 50.11 H new ATOM 0 HB3 LEU A 80 -2.606 -7.650 -4.541 1.00 50.11 H new ATOM 0 HG LEU A 80 -2.856 -6.231 -7.229 1.00 50.14 H new ATOM 0 HD11 LEU A 80 -0.381 -6.120 -7.140 1.00 62.34 H new ATOM 0 HD12 LEU A 80 -1.135 -5.238 -5.791 1.00 62.34 H new ATOM 0 HD13 LEU A 80 -0.415 -6.841 -5.513 1.00 62.34 H new ATOM 0 HD21 LEU A 80 -1.525 -8.094 -8.170 1.00 5.41 H new ATOM 0 HD22 LEU A 80 -1.618 -8.943 -6.609 1.00 5.41 H new ATOM 0 HD23 LEU A 80 -3.099 -8.646 -7.551 1.00 5.41 H new ATOM 1305 N LEU A 81 -5.984 -7.248 -3.458 1.00 63.51 N ATOM 1306 CA LEU A 81 -6.794 -7.593 -2.268 1.00 11.03 C ATOM 1307 C LEU A 81 -7.773 -8.725 -2.628 1.00 24.41 C ATOM 1308 O LEU A 81 -7.987 -9.647 -1.839 1.00 5.10 O ATOM 1309 CB LEU A 81 -7.543 -6.319 -1.768 1.00 63.43 C ATOM 1310 CG LEU A 81 -8.748 -6.506 -0.770 1.00 0.43 C ATOM 1311 CD1 LEU A 81 -8.447 -5.928 0.633 1.00 55.20 C ATOM 1312 CD2 LEU A 81 -10.060 -5.913 -1.356 1.00 1.41 C ATOM 0 H LEU A 81 -6.122 -6.290 -3.780 1.00 63.51 H new ATOM 0 HA LEU A 81 -6.153 -7.947 -1.460 1.00 11.03 H new ATOM 0 HB2 LEU A 81 -6.811 -5.670 -1.288 1.00 63.43 H new ATOM 0 HB3 LEU A 81 -7.915 -5.787 -2.643 1.00 63.43 H new ATOM 0 HG LEU A 81 -8.890 -7.579 -0.643 1.00 0.43 H new ATOM 0 HD11 LEU A 81 -9.309 -6.082 1.283 1.00 55.20 H new ATOM 0 HD12 LEU A 81 -7.579 -6.433 1.056 1.00 55.20 H new ATOM 0 HD13 LEU A 81 -8.241 -4.861 0.550 1.00 55.20 H new ATOM 0 HD21 LEU A 81 -10.874 -6.057 -0.645 1.00 1.41 H new ATOM 0 HD22 LEU A 81 -9.926 -4.848 -1.543 1.00 1.41 H new ATOM 0 HD23 LEU A 81 -10.302 -6.418 -2.291 1.00 1.41 H new ATOM 1324 N GLN A 82 -8.330 -8.645 -3.852 1.00 53.02 N ATOM 1325 CA GLN A 82 -9.204 -9.687 -4.421 1.00 24.33 C ATOM 1326 C GLN A 82 -8.381 -10.960 -4.760 1.00 22.14 C ATOM 1327 O GLN A 82 -8.847 -12.085 -4.535 1.00 74.02 O ATOM 1328 CB GLN A 82 -9.930 -9.127 -5.677 1.00 50.33 C ATOM 1329 CG GLN A 82 -10.987 -10.057 -6.311 1.00 43.02 C ATOM 1330 CD GLN A 82 -12.144 -10.389 -5.366 1.00 24.13 C ATOM 1331 OE1 GLN A 82 -13.144 -9.670 -5.317 1.00 73.52 O ATOM 1332 NE2 GLN A 82 -12.032 -11.488 -4.633 1.00 41.31 N ATOM 0 H GLN A 82 -8.185 -7.851 -4.476 1.00 53.02 H new ATOM 0 HA GLN A 82 -9.957 -9.971 -3.686 1.00 24.33 H new ATOM 0 HB2 GLN A 82 -10.414 -8.189 -5.406 1.00 50.33 H new ATOM 0 HB3 GLN A 82 -9.180 -8.892 -6.432 1.00 50.33 H new ATOM 0 HG2 GLN A 82 -11.385 -9.585 -7.209 1.00 43.02 H new ATOM 0 HG3 GLN A 82 -10.505 -10.983 -6.624 1.00 43.02 H new ATOM 0 HE21 GLN A 82 -11.190 -12.061 -4.698 1.00 41.31 H new ATOM 0 HE22 GLN A 82 -12.787 -11.761 -4.004 1.00 41.31 H new ATOM 1341 N ASP A 83 -7.147 -10.756 -5.284 1.00 20.42 N ATOM 1342 CA ASP A 83 -6.178 -11.851 -5.558 1.00 33.31 C ATOM 1343 C ASP A 83 -5.695 -12.527 -4.251 1.00 53.32 C ATOM 1344 O ASP A 83 -5.285 -13.693 -4.268 1.00 35.23 O ATOM 1345 CB ASP A 83 -4.949 -11.322 -6.365 1.00 13.15 C ATOM 1346 CG ASP A 83 -5.187 -11.187 -7.883 1.00 62.41 C ATOM 1347 OD1 ASP A 83 -5.241 -12.231 -8.576 1.00 32.33 O ATOM 1348 OD2 ASP A 83 -5.309 -10.052 -8.400 1.00 52.02 O ATOM 0 H ASP A 83 -6.794 -9.831 -5.529 1.00 20.42 H new ATOM 0 HA ASP A 83 -6.701 -12.597 -6.156 1.00 33.31 H new ATOM 0 HB2 ASP A 83 -4.662 -10.348 -5.968 1.00 13.15 H new ATOM 0 HB3 ASP A 83 -4.107 -11.994 -6.201 1.00 13.15 H new ATOM 1353 N ALA A 84 -5.716 -11.765 -3.139 1.00 73.35 N ATOM 1354 CA ALA A 84 -5.373 -12.279 -1.796 1.00 53.31 C ATOM 1355 C ALA A 84 -6.543 -13.099 -1.235 1.00 2.33 C ATOM 1356 O ALA A 84 -6.341 -14.200 -0.713 1.00 14.25 O ATOM 1357 CB ALA A 84 -5.026 -11.122 -0.841 1.00 75.44 C ATOM 0 H ALA A 84 -5.971 -10.777 -3.146 1.00 73.35 H new ATOM 0 HA ALA A 84 -4.497 -12.922 -1.884 1.00 53.31 H new ATOM 0 HB1 ALA A 84 -4.777 -11.523 0.141 1.00 75.44 H new ATOM 0 HB2 ALA A 84 -4.173 -10.569 -1.234 1.00 75.44 H new ATOM 0 HB3 ALA A 84 -5.882 -10.453 -0.753 1.00 75.44 H new ATOM 1363 N TYR A 85 -7.770 -12.542 -1.385 1.00 65.02 N ATOM 1364 CA TYR A 85 -9.033 -13.169 -0.922 1.00 60.41 C ATOM 1365 C TYR A 85 -9.238 -14.591 -1.487 1.00 72.43 C ATOM 1366 O TYR A 85 -9.987 -15.379 -0.903 1.00 1.52 O ATOM 1367 CB TYR A 85 -10.271 -12.301 -1.324 1.00 5.23 C ATOM 1368 CG TYR A 85 -10.540 -11.028 -0.498 1.00 41.42 C ATOM 1369 CD1 TYR A 85 -10.040 -10.849 0.802 1.00 40.41 C ATOM 1370 CD2 TYR A 85 -11.345 -10.012 -1.021 1.00 61.33 C ATOM 1371 CE1 TYR A 85 -10.337 -9.707 1.532 1.00 10.15 C ATOM 1372 CE2 TYR A 85 -11.634 -8.880 -0.298 1.00 2.34 C ATOM 1373 CZ TYR A 85 -11.135 -8.728 0.974 1.00 41.53 C ATOM 1374 OH TYR A 85 -11.435 -7.588 1.688 1.00 64.44 O ATOM 0 H TYR A 85 -7.912 -11.637 -1.834 1.00 65.02 H new ATOM 0 HA TYR A 85 -8.948 -13.234 0.163 1.00 60.41 H new ATOM 0 HB2 TYR A 85 -10.153 -12.008 -2.367 1.00 5.23 H new ATOM 0 HB3 TYR A 85 -11.158 -12.932 -1.269 1.00 5.23 H new ATOM 0 HD1 TYR A 85 -9.414 -11.612 1.241 1.00 40.41 H new ATOM 0 HD2 TYR A 85 -11.749 -10.119 -2.017 1.00 61.33 H new ATOM 0 HE1 TYR A 85 -9.946 -9.585 2.531 1.00 10.15 H new ATOM 0 HE2 TYR A 85 -12.254 -8.108 -0.730 1.00 2.34 H new ATOM 0 HH TYR A 85 -12.006 -7.004 1.147 1.00 64.44 H new ATOM 1384 N GLU A 86 -8.609 -14.894 -2.641 1.00 34.54 N ATOM 1385 CA GLU A 86 -8.802 -16.171 -3.358 1.00 32.55 C ATOM 1386 C GLU A 86 -7.474 -16.906 -3.600 1.00 2.35 C ATOM 1387 O GLU A 86 -6.401 -16.292 -3.597 1.00 32.15 O ATOM 1388 CB GLU A 86 -9.515 -15.910 -4.705 1.00 14.42 C ATOM 1389 CG GLU A 86 -10.927 -15.304 -4.562 1.00 73.42 C ATOM 1390 CD GLU A 86 -11.657 -15.075 -5.893 1.00 3.20 C ATOM 1391 OE1 GLU A 86 -11.499 -15.896 -6.824 1.00 72.24 O ATOM 1392 OE2 GLU A 86 -12.415 -14.092 -6.003 1.00 3.13 O ATOM 0 H GLU A 86 -7.954 -14.262 -3.101 1.00 34.54 H new ATOM 0 HA GLU A 86 -9.419 -16.813 -2.730 1.00 32.55 H new ATOM 0 HB2 GLU A 86 -8.901 -15.238 -5.305 1.00 14.42 H new ATOM 0 HB3 GLU A 86 -9.588 -16.849 -5.253 1.00 14.42 H new ATOM 0 HG2 GLU A 86 -11.531 -15.964 -3.939 1.00 73.42 H new ATOM 0 HG3 GLU A 86 -10.849 -14.353 -4.036 1.00 73.42 H new ATOM 1399 N ARG A 87 -7.605 -18.236 -3.811 1.00 52.35 N ATOM 1400 CA ARG A 87 -6.521 -19.182 -4.161 1.00 64.33 C ATOM 1401 C ARG A 87 -5.533 -19.368 -2.987 1.00 43.33 C ATOM 1402 O ARG A 87 -5.516 -20.422 -2.339 1.00 53.10 O ATOM 1403 CB ARG A 87 -5.794 -18.800 -5.493 1.00 44.11 C ATOM 1404 CG ARG A 87 -4.907 -19.934 -6.062 1.00 22.33 C ATOM 1405 CD ARG A 87 -4.320 -19.629 -7.452 1.00 22.21 C ATOM 1406 NE ARG A 87 -3.593 -20.799 -7.995 1.00 12.12 N ATOM 1407 CZ ARG A 87 -2.329 -20.806 -8.454 1.00 2.14 C ATOM 1408 NH1 ARG A 87 -1.592 -19.700 -8.469 1.00 4.33 N ATOM 1409 NH2 ARG A 87 -1.791 -21.945 -8.860 1.00 72.31 N ATOM 0 H ARG A 87 -8.511 -18.700 -3.739 1.00 52.35 H new ATOM 0 HA ARG A 87 -6.992 -20.148 -4.344 1.00 64.33 H new ATOM 0 HB2 ARG A 87 -6.540 -18.525 -6.238 1.00 44.11 H new ATOM 0 HB3 ARG A 87 -5.176 -17.919 -5.320 1.00 44.11 H new ATOM 0 HG2 ARG A 87 -4.089 -20.126 -5.367 1.00 22.33 H new ATOM 0 HG3 ARG A 87 -5.497 -20.849 -6.120 1.00 22.33 H new ATOM 0 HD2 ARG A 87 -5.122 -19.347 -8.134 1.00 22.21 H new ATOM 0 HD3 ARG A 87 -3.644 -18.777 -7.385 1.00 22.21 H new ATOM 0 HE ARG A 87 -4.099 -21.684 -8.024 1.00 12.12 H new ATOM 0 HH11 ARG A 87 -1.983 -18.822 -8.128 1.00 4.33 H new ATOM 0 HH12 ARG A 87 -0.635 -19.729 -8.822 1.00 4.33 H new ATOM 0 HH21 ARG A 87 -2.334 -22.807 -8.823 1.00 72.31 H new ATOM 0 HH22 ARG A 87 -0.833 -21.960 -9.210 1.00 72.31 H new ATOM 1423 N SER A 88 -4.745 -18.321 -2.697 1.00 74.12 N ATOM 1424 CA SER A 88 -3.801 -18.281 -1.563 1.00 74.33 C ATOM 1425 C SER A 88 -4.503 -17.702 -0.310 1.00 63.13 C ATOM 1426 O SER A 88 -3.900 -16.964 0.483 1.00 62.34 O ATOM 1427 CB SER A 88 -2.585 -17.420 -1.971 1.00 43.51 C ATOM 1428 OG SER A 88 -1.949 -17.942 -3.122 1.00 64.24 O ATOM 0 H SER A 88 -4.744 -17.464 -3.250 1.00 74.12 H new ATOM 0 HA SER A 88 -3.461 -19.286 -1.315 1.00 74.33 H new ATOM 0 HB2 SER A 88 -2.909 -16.397 -2.164 1.00 43.51 H new ATOM 0 HB3 SER A 88 -1.873 -17.378 -1.147 1.00 43.51 H new ATOM 0 HG SER A 88 -1.034 -17.594 -3.177 1.00 64.24 H new ATOM 1434 N GLU A 89 -5.768 -18.118 -0.102 1.00 62.10 N ATOM 1435 CA GLU A 89 -6.662 -17.550 0.926 1.00 70.12 C ATOM 1436 C GLU A 89 -6.508 -18.246 2.300 1.00 32.01 C ATOM 1437 O GLU A 89 -7.489 -18.462 3.026 1.00 23.53 O ATOM 1438 CB GLU A 89 -8.127 -17.578 0.411 1.00 51.45 C ATOM 1439 CG GLU A 89 -8.653 -18.955 -0.031 1.00 2.24 C ATOM 1440 CD GLU A 89 -10.113 -18.898 -0.517 1.00 12.50 C ATOM 1441 OE1 GLU A 89 -11.036 -18.891 0.331 1.00 75.12 O ATOM 1442 OE2 GLU A 89 -10.349 -18.858 -1.743 1.00 20.44 O ATOM 0 H GLU A 89 -6.201 -18.863 -0.647 1.00 62.10 H new ATOM 0 HA GLU A 89 -6.372 -16.513 1.097 1.00 70.12 H new ATOM 0 HB2 GLU A 89 -8.777 -17.197 1.199 1.00 51.45 H new ATOM 0 HB3 GLU A 89 -8.210 -16.891 -0.431 1.00 51.45 H new ATOM 0 HG2 GLU A 89 -8.022 -19.342 -0.831 1.00 2.24 H new ATOM 0 HG3 GLU A 89 -8.577 -19.654 0.802 1.00 2.24 H new ATOM 1449 N SER A 90 -5.246 -18.532 2.675 1.00 4.54 N ATOM 1450 CA SER A 90 -4.886 -19.013 4.023 1.00 73.42 C ATOM 1451 C SER A 90 -4.881 -17.828 5.018 1.00 45.33 C ATOM 1452 O SER A 90 -5.339 -16.732 4.680 1.00 22.52 O ATOM 1453 CB SER A 90 -3.505 -19.707 3.969 1.00 52.02 C ATOM 1454 OG SER A 90 -3.505 -20.772 3.036 1.00 41.31 O ATOM 0 H SER A 90 -4.446 -18.436 2.050 1.00 4.54 H new ATOM 0 HA SER A 90 -5.622 -19.739 4.368 1.00 73.42 H new ATOM 0 HB2 SER A 90 -2.740 -18.980 3.696 1.00 52.02 H new ATOM 0 HB3 SER A 90 -3.246 -20.086 4.958 1.00 52.02 H new ATOM 0 HG SER A 90 -2.620 -21.193 3.020 1.00 41.31 H new ATOM 1460 N LEU A 91 -4.350 -18.038 6.236 1.00 61.34 N ATOM 1461 CA LEU A 91 -4.304 -16.988 7.281 1.00 11.42 C ATOM 1462 C LEU A 91 -3.360 -15.828 6.842 1.00 14.42 C ATOM 1463 O LEU A 91 -3.521 -14.697 7.294 1.00 64.53 O ATOM 1464 CB LEU A 91 -3.891 -17.633 8.649 1.00 71.32 C ATOM 1465 CG LEU A 91 -4.355 -16.906 9.971 1.00 33.13 C ATOM 1466 CD1 LEU A 91 -4.235 -17.840 11.197 1.00 72.32 C ATOM 1467 CD2 LEU A 91 -3.584 -15.589 10.227 1.00 21.23 C ATOM 0 H LEU A 91 -3.944 -18.928 6.526 1.00 61.34 H new ATOM 0 HA LEU A 91 -5.291 -16.546 7.415 1.00 11.42 H new ATOM 0 HB2 LEU A 91 -4.280 -18.651 8.671 1.00 71.32 H new ATOM 0 HB3 LEU A 91 -2.804 -17.707 8.671 1.00 71.32 H new ATOM 0 HG LEU A 91 -5.404 -16.648 9.825 1.00 33.13 H new ATOM 0 HD11 LEU A 91 -4.562 -17.310 12.092 1.00 72.32 H new ATOM 0 HD12 LEU A 91 -4.861 -18.719 11.047 1.00 72.32 H new ATOM 0 HD13 LEU A 91 -3.197 -18.150 11.318 1.00 72.32 H new ATOM 0 HD21 LEU A 91 -3.943 -15.131 11.149 1.00 21.23 H new ATOM 0 HD22 LEU A 91 -2.519 -15.803 10.319 1.00 21.23 H new ATOM 0 HD23 LEU A 91 -3.746 -14.905 9.394 1.00 21.23 H new ATOM 1479 N GLU A 92 -2.436 -16.110 5.892 1.00 53.14 N ATOM 1480 CA GLU A 92 -1.468 -15.116 5.358 1.00 50.41 C ATOM 1481 C GLU A 92 -2.156 -13.937 4.607 1.00 20.35 C ATOM 1482 O GLU A 92 -1.478 -12.977 4.214 1.00 11.03 O ATOM 1483 CB GLU A 92 -0.401 -15.790 4.440 1.00 24.34 C ATOM 1484 CG GLU A 92 0.497 -16.865 5.110 1.00 63.20 C ATOM 1485 CD GLU A 92 -0.188 -18.238 5.292 1.00 45.13 C ATOM 1486 OE1 GLU A 92 -0.115 -19.072 4.361 1.00 41.52 O ATOM 1487 OE2 GLU A 92 -0.811 -18.482 6.354 1.00 51.43 O ATOM 0 H GLU A 92 -2.339 -17.035 5.472 1.00 53.14 H new ATOM 0 HA GLU A 92 -0.967 -14.695 6.229 1.00 50.41 H new ATOM 0 HB2 GLU A 92 -0.916 -16.250 3.597 1.00 24.34 H new ATOM 0 HB3 GLU A 92 0.243 -15.010 4.033 1.00 24.34 H new ATOM 0 HG2 GLU A 92 1.397 -16.997 4.509 1.00 63.20 H new ATOM 0 HG3 GLU A 92 0.817 -16.499 6.086 1.00 63.20 H new ATOM 1494 N VAL A 93 -3.494 -14.015 4.412 1.00 3.32 N ATOM 1495 CA VAL A 93 -4.295 -12.894 3.878 1.00 52.42 C ATOM 1496 C VAL A 93 -4.367 -11.730 4.880 1.00 53.50 C ATOM 1497 O VAL A 93 -4.460 -10.595 4.462 1.00 21.31 O ATOM 1498 CB VAL A 93 -5.762 -13.325 3.487 1.00 14.35 C ATOM 1499 CG1 VAL A 93 -5.737 -14.394 2.379 1.00 70.54 C ATOM 1500 CG2 VAL A 93 -6.580 -13.793 4.724 1.00 21.11 C ATOM 0 H VAL A 93 -4.042 -14.850 4.619 1.00 3.32 H new ATOM 0 HA VAL A 93 -3.781 -12.569 2.973 1.00 52.42 H new ATOM 0 HB VAL A 93 -6.273 -12.446 3.093 1.00 14.35 H new ATOM 0 HG11 VAL A 93 -6.758 -14.678 2.124 1.00 70.54 H new ATOM 0 HG12 VAL A 93 -5.241 -13.991 1.496 1.00 70.54 H new ATOM 0 HG13 VAL A 93 -5.194 -15.271 2.732 1.00 70.54 H new ATOM 0 HG21 VAL A 93 -7.583 -14.080 4.409 1.00 21.11 H new ATOM 0 HG22 VAL A 93 -6.085 -14.648 5.185 1.00 21.11 H new ATOM 0 HG23 VAL A 93 -6.645 -12.979 5.446 1.00 21.11 H new ATOM 1510 N ALA A 94 -4.306 -12.038 6.197 1.00 70.30 N ATOM 1511 CA ALA A 94 -4.526 -11.055 7.282 1.00 21.14 C ATOM 1512 C ALA A 94 -3.538 -9.882 7.180 1.00 35.11 C ATOM 1513 O ALA A 94 -3.961 -8.734 7.013 1.00 73.43 O ATOM 1514 CB ALA A 94 -4.444 -11.742 8.659 1.00 74.13 C ATOM 0 H ALA A 94 -4.102 -12.978 6.537 1.00 70.30 H new ATOM 0 HA ALA A 94 -5.529 -10.643 7.170 1.00 21.14 H new ATOM 0 HB1 ALA A 94 -4.608 -11.004 9.444 1.00 74.13 H new ATOM 0 HB2 ALA A 94 -5.207 -12.518 8.725 1.00 74.13 H new ATOM 0 HB3 ALA A 94 -3.459 -12.191 8.783 1.00 74.13 H new ATOM 1520 N PHE A 95 -2.229 -10.210 7.208 1.00 21.44 N ATOM 1521 CA PHE A 95 -1.125 -9.238 7.045 1.00 42.12 C ATOM 1522 C PHE A 95 -1.357 -8.377 5.781 1.00 41.45 C ATOM 1523 O PHE A 95 -1.488 -7.150 5.859 1.00 33.20 O ATOM 1524 CB PHE A 95 0.225 -10.025 6.960 1.00 23.34 C ATOM 1525 CG PHE A 95 1.488 -9.180 6.727 1.00 1.11 C ATOM 1526 CD1 PHE A 95 1.912 -8.880 5.435 1.00 21.43 C ATOM 1527 CD2 PHE A 95 2.249 -8.694 7.790 1.00 75.04 C ATOM 1528 CE1 PHE A 95 3.042 -8.132 5.211 1.00 74.11 C ATOM 1529 CE2 PHE A 95 3.388 -7.933 7.564 1.00 63.22 C ATOM 1530 CZ PHE A 95 3.781 -7.653 6.267 1.00 42.42 C ATOM 0 H PHE A 95 -1.905 -11.167 7.346 1.00 21.44 H new ATOM 0 HA PHE A 95 -1.088 -8.562 7.899 1.00 42.12 H new ATOM 0 HB2 PHE A 95 0.354 -10.586 7.886 1.00 23.34 H new ATOM 0 HB3 PHE A 95 0.147 -10.754 6.154 1.00 23.34 H new ATOM 0 HD1 PHE A 95 1.341 -9.242 4.593 1.00 21.43 H new ATOM 0 HD2 PHE A 95 1.948 -8.913 8.804 1.00 75.04 H new ATOM 0 HE1 PHE A 95 3.352 -7.919 4.199 1.00 74.11 H new ATOM 0 HE2 PHE A 95 3.965 -7.561 8.397 1.00 63.22 H new ATOM 0 HZ PHE A 95 4.665 -7.060 6.085 1.00 42.42 H new ATOM 1540 N VAL A 96 -1.501 -9.076 4.643 1.00 41.42 N ATOM 1541 CA VAL A 96 -1.620 -8.468 3.305 1.00 61.13 C ATOM 1542 C VAL A 96 -2.804 -7.471 3.217 1.00 74.24 C ATOM 1543 O VAL A 96 -2.608 -6.308 2.877 1.00 24.23 O ATOM 1544 CB VAL A 96 -1.761 -9.597 2.207 1.00 71.44 C ATOM 1545 CG1 VAL A 96 -2.030 -9.014 0.801 1.00 25.14 C ATOM 1546 CG2 VAL A 96 -0.508 -10.514 2.192 1.00 43.22 C ATOM 0 H VAL A 96 -1.539 -10.095 4.625 1.00 41.42 H new ATOM 0 HA VAL A 96 -0.709 -7.898 3.121 1.00 61.13 H new ATOM 0 HB VAL A 96 -2.629 -10.199 2.477 1.00 71.44 H new ATOM 0 HG11 VAL A 96 -2.119 -9.827 0.081 1.00 25.14 H new ATOM 0 HG12 VAL A 96 -2.956 -8.440 0.816 1.00 25.14 H new ATOM 0 HG13 VAL A 96 -1.204 -8.363 0.513 1.00 25.14 H new ATOM 0 HG21 VAL A 96 -0.629 -11.283 1.429 1.00 43.22 H new ATOM 0 HG22 VAL A 96 0.377 -9.918 1.970 1.00 43.22 H new ATOM 0 HG23 VAL A 96 -0.391 -10.986 3.167 1.00 43.22 H new ATOM 1556 N THR A 97 -4.010 -7.936 3.588 1.00 20.42 N ATOM 1557 CA THR A 97 -5.271 -7.192 3.396 1.00 3.42 C ATOM 1558 C THR A 97 -5.396 -6.028 4.393 1.00 34.24 C ATOM 1559 O THR A 97 -5.928 -4.983 4.034 1.00 30.03 O ATOM 1560 CB THR A 97 -6.529 -8.125 3.517 1.00 73.23 C ATOM 1561 OG1 THR A 97 -6.558 -8.742 4.818 1.00 75.24 O ATOM 1562 CG2 THR A 97 -6.550 -9.218 2.422 1.00 42.22 C ATOM 0 H THR A 97 -4.140 -8.845 4.033 1.00 20.42 H new ATOM 0 HA THR A 97 -5.238 -6.789 2.384 1.00 3.42 H new ATOM 0 HB THR A 97 -7.413 -7.502 3.380 1.00 73.23 H new ATOM 0 HG1 THR A 97 -5.868 -9.436 4.866 1.00 75.24 H new ATOM 0 HG21 THR A 97 -7.437 -9.839 2.545 1.00 42.22 H new ATOM 0 HG22 THR A 97 -6.570 -8.748 1.439 1.00 42.22 H new ATOM 0 HG23 THR A 97 -5.658 -9.838 2.510 1.00 42.22 H new ATOM 1570 N GLN A 98 -4.922 -6.225 5.651 1.00 51.44 N ATOM 1571 CA GLN A 98 -4.912 -5.146 6.677 1.00 3.22 C ATOM 1572 C GLN A 98 -3.912 -4.043 6.291 1.00 62.25 C ATOM 1573 O GLN A 98 -4.156 -2.869 6.568 1.00 52.33 O ATOM 1574 CB GLN A 98 -4.545 -5.690 8.090 1.00 21.40 C ATOM 1575 CG GLN A 98 -5.557 -6.679 8.712 1.00 2.34 C ATOM 1576 CD GLN A 98 -5.091 -7.253 10.062 1.00 51.32 C ATOM 1577 OE1 GLN A 98 -4.386 -6.590 10.830 1.00 50.21 O ATOM 1578 NE2 GLN A 98 -5.465 -8.492 10.349 1.00 43.23 N ATOM 0 H GLN A 98 -4.544 -7.114 5.979 1.00 51.44 H new ATOM 0 HA GLN A 98 -5.921 -4.736 6.715 1.00 3.22 H new ATOM 0 HB2 GLN A 98 -3.575 -6.183 8.028 1.00 21.40 H new ATOM 0 HB3 GLN A 98 -4.430 -4.843 8.766 1.00 21.40 H new ATOM 0 HG2 GLN A 98 -6.512 -6.173 8.850 1.00 2.34 H new ATOM 0 HG3 GLN A 98 -5.729 -7.499 8.015 1.00 2.34 H new ATOM 0 HE21 GLN A 98 -6.047 -9.014 9.694 1.00 43.23 H new ATOM 0 HE22 GLN A 98 -5.170 -8.924 11.225 1.00 43.23 H new ATOM 1587 N LEU A 99 -2.779 -4.442 5.679 1.00 15.14 N ATOM 1588 CA LEU A 99 -1.761 -3.491 5.176 1.00 12.25 C ATOM 1589 C LEU A 99 -2.295 -2.678 3.981 1.00 32.33 C ATOM 1590 O LEU A 99 -2.126 -1.457 3.942 1.00 53.14 O ATOM 1591 CB LEU A 99 -0.445 -4.240 4.804 1.00 43.22 C ATOM 1592 CG LEU A 99 0.668 -4.252 5.900 1.00 35.15 C ATOM 1593 CD1 LEU A 99 0.221 -4.929 7.217 1.00 14.05 C ATOM 1594 CD2 LEU A 99 1.962 -4.871 5.342 1.00 71.42 C ATOM 0 H LEU A 99 -2.543 -5.421 5.519 1.00 15.14 H new ATOM 0 HA LEU A 99 -1.536 -2.786 5.976 1.00 12.25 H new ATOM 0 HB2 LEU A 99 -0.695 -5.272 4.556 1.00 43.22 H new ATOM 0 HB3 LEU A 99 -0.034 -3.786 3.902 1.00 43.22 H new ATOM 0 HG LEU A 99 0.869 -3.214 6.165 1.00 35.15 H new ATOM 0 HD11 LEU A 99 1.040 -4.904 7.935 1.00 14.05 H new ATOM 0 HD12 LEU A 99 -0.637 -4.397 7.627 1.00 14.05 H new ATOM 0 HD13 LEU A 99 -0.055 -5.965 7.018 1.00 14.05 H new ATOM 0 HD21 LEU A 99 2.728 -4.872 6.117 1.00 71.42 H new ATOM 0 HD22 LEU A 99 1.767 -5.895 5.022 1.00 71.42 H new ATOM 0 HD23 LEU A 99 2.308 -4.285 4.491 1.00 71.42 H new ATOM 1606 N VAL A 100 -2.924 -3.380 3.016 1.00 15.43 N ATOM 1607 CA VAL A 100 -3.625 -2.759 1.868 1.00 14.35 C ATOM 1608 C VAL A 100 -4.661 -1.735 2.386 1.00 21.11 C ATOM 1609 O VAL A 100 -4.663 -0.568 1.978 1.00 4.32 O ATOM 1610 CB VAL A 100 -4.323 -3.872 0.967 1.00 60.30 C ATOM 1611 CG1 VAL A 100 -5.387 -3.281 -0.005 1.00 72.13 C ATOM 1612 CG2 VAL A 100 -3.264 -4.707 0.191 1.00 73.45 C ATOM 0 H VAL A 100 -2.961 -4.399 3.009 1.00 15.43 H new ATOM 0 HA VAL A 100 -2.898 -2.238 1.245 1.00 14.35 H new ATOM 0 HB VAL A 100 -4.856 -4.535 1.649 1.00 60.30 H new ATOM 0 HG11 VAL A 100 -5.829 -4.085 -0.593 1.00 72.13 H new ATOM 0 HG12 VAL A 100 -6.167 -2.781 0.570 1.00 72.13 H new ATOM 0 HG13 VAL A 100 -4.911 -2.563 -0.673 1.00 72.13 H new ATOM 0 HG21 VAL A 100 -3.767 -5.459 -0.416 1.00 73.45 H new ATOM 0 HG22 VAL A 100 -2.684 -4.048 -0.455 1.00 73.45 H new ATOM 0 HG23 VAL A 100 -2.598 -5.199 0.900 1.00 73.45 H new ATOM 1622 N LYS A 101 -5.462 -2.197 3.358 1.00 71.32 N ATOM 1623 CA LYS A 101 -6.566 -1.438 3.967 1.00 14.23 C ATOM 1624 C LYS A 101 -6.069 -0.179 4.695 1.00 52.42 C ATOM 1625 O LYS A 101 -6.618 0.904 4.503 1.00 34.22 O ATOM 1626 CB LYS A 101 -7.320 -2.358 4.963 1.00 35.23 C ATOM 1627 CG LYS A 101 -8.598 -1.763 5.592 1.00 72.44 C ATOM 1628 CD LYS A 101 -9.715 -1.503 4.554 1.00 12.43 C ATOM 1629 CE LYS A 101 -10.149 -2.777 3.793 1.00 74.21 C ATOM 1630 NZ LYS A 101 -10.633 -3.850 4.705 1.00 43.25 N ATOM 0 H LYS A 101 -5.358 -3.132 3.752 1.00 71.32 H new ATOM 0 HA LYS A 101 -7.233 -1.109 3.170 1.00 14.23 H new ATOM 0 HB2 LYS A 101 -7.587 -3.280 4.446 1.00 35.23 H new ATOM 0 HB3 LYS A 101 -6.635 -2.630 5.766 1.00 35.23 H new ATOM 0 HG2 LYS A 101 -8.971 -2.444 6.357 1.00 72.44 H new ATOM 0 HG3 LYS A 101 -8.349 -0.827 6.092 1.00 72.44 H new ATOM 0 HD2 LYS A 101 -10.581 -1.078 5.061 1.00 12.43 H new ATOM 0 HD3 LYS A 101 -9.369 -0.759 3.836 1.00 12.43 H new ATOM 0 HE2 LYS A 101 -10.938 -2.522 3.086 1.00 74.21 H new ATOM 0 HE3 LYS A 101 -9.308 -3.152 3.210 1.00 74.21 H new ATOM 0 HZ1 LYS A 101 -10.943 -4.669 4.144 1.00 43.25 H new ATOM 0 HZ2 LYS A 101 -9.863 -4.138 5.341 1.00 43.25 H new ATOM 0 HZ3 LYS A 101 -11.432 -3.493 5.268 1.00 43.25 H new ATOM 1644 N LYS A 102 -5.020 -0.344 5.516 1.00 31.12 N ATOM 1645 CA LYS A 102 -4.510 0.725 6.389 1.00 61.24 C ATOM 1646 C LYS A 102 -3.803 1.788 5.557 1.00 12.12 C ATOM 1647 O LYS A 102 -4.075 2.973 5.723 1.00 15.13 O ATOM 1648 CB LYS A 102 -3.551 0.157 7.461 1.00 24.45 C ATOM 1649 CG LYS A 102 -3.092 1.188 8.519 1.00 13.04 C ATOM 1650 CD LYS A 102 -2.206 0.562 9.618 1.00 1.52 C ATOM 1651 CE LYS A 102 -1.908 1.545 10.761 1.00 52.34 C ATOM 1652 NZ LYS A 102 -1.097 0.918 11.833 1.00 33.51 N ATOM 0 H LYS A 102 -4.503 -1.220 5.593 1.00 31.12 H new ATOM 0 HA LYS A 102 -5.357 1.180 6.902 1.00 61.24 H new ATOM 0 HB2 LYS A 102 -4.044 -0.672 7.969 1.00 24.45 H new ATOM 0 HB3 LYS A 102 -2.671 -0.252 6.964 1.00 24.45 H new ATOM 0 HG2 LYS A 102 -2.540 1.988 8.025 1.00 13.04 H new ATOM 0 HG3 LYS A 102 -3.968 1.643 8.980 1.00 13.04 H new ATOM 0 HD2 LYS A 102 -2.702 -0.321 10.022 1.00 1.52 H new ATOM 0 HD3 LYS A 102 -1.267 0.227 9.177 1.00 1.52 H new ATOM 0 HE2 LYS A 102 -1.379 2.412 10.365 1.00 52.34 H new ATOM 0 HE3 LYS A 102 -2.846 1.908 11.181 1.00 52.34 H new ATOM 0 HZ1 LYS A 102 -0.918 1.614 12.585 1.00 33.51 H new ATOM 0 HZ2 LYS A 102 -1.613 0.106 12.228 1.00 33.51 H new ATOM 0 HZ3 LYS A 102 -0.191 0.594 11.438 1.00 33.51 H new ATOM 1666 N LEU A 103 -2.914 1.343 4.645 1.00 72.10 N ATOM 1667 CA LEU A 103 -2.183 2.236 3.720 1.00 75.45 C ATOM 1668 C LEU A 103 -3.183 3.013 2.842 1.00 42.03 C ATOM 1669 O LEU A 103 -2.951 4.184 2.498 1.00 2.43 O ATOM 1670 CB LEU A 103 -1.203 1.408 2.839 1.00 75.20 C ATOM 1671 CG LEU A 103 -0.246 2.217 1.903 1.00 33.33 C ATOM 1672 CD1 LEU A 103 0.656 3.170 2.721 1.00 53.34 C ATOM 1673 CD2 LEU A 103 0.592 1.274 1.001 1.00 1.21 C ATOM 0 H LEU A 103 -2.682 0.356 4.529 1.00 72.10 H new ATOM 0 HA LEU A 103 -1.600 2.953 4.299 1.00 75.45 H new ATOM 0 HB2 LEU A 103 -0.593 0.790 3.498 1.00 75.20 H new ATOM 0 HB3 LEU A 103 -1.791 0.730 2.220 1.00 75.20 H new ATOM 0 HG LEU A 103 -0.863 2.830 1.246 1.00 33.33 H new ATOM 0 HD11 LEU A 103 1.311 3.720 2.046 1.00 53.34 H new ATOM 0 HD12 LEU A 103 0.034 3.873 3.276 1.00 53.34 H new ATOM 0 HD13 LEU A 103 1.259 2.590 3.419 1.00 53.34 H new ATOM 0 HD21 LEU A 103 1.247 1.868 0.363 1.00 1.21 H new ATOM 0 HD22 LEU A 103 1.195 0.614 1.625 1.00 1.21 H new ATOM 0 HD23 LEU A 103 -0.075 0.676 0.380 1.00 1.21 H new ATOM 1685 N LEU A 104 -4.316 2.341 2.502 1.00 4.34 N ATOM 1686 CA LEU A 104 -5.431 2.973 1.775 1.00 54.00 C ATOM 1687 C LEU A 104 -6.039 4.101 2.632 1.00 63.41 C ATOM 1688 O LEU A 104 -6.095 5.232 2.190 1.00 23.33 O ATOM 1689 CB LEU A 104 -6.491 1.906 1.351 1.00 41.13 C ATOM 1690 CG LEU A 104 -7.386 2.235 0.103 1.00 21.12 C ATOM 1691 CD1 LEU A 104 -8.510 3.253 0.418 1.00 71.21 C ATOM 1692 CD2 LEU A 104 -6.518 2.709 -1.086 1.00 71.52 C ATOM 0 H LEU A 104 -4.473 1.358 2.725 1.00 4.34 H new ATOM 0 HA LEU A 104 -5.057 3.422 0.855 1.00 54.00 H new ATOM 0 HB2 LEU A 104 -5.967 0.971 1.153 1.00 41.13 H new ATOM 0 HB3 LEU A 104 -7.150 1.729 2.201 1.00 41.13 H new ATOM 0 HG LEU A 104 -7.884 1.308 -0.179 1.00 21.12 H new ATOM 0 HD11 LEU A 104 -9.094 3.440 -0.483 1.00 71.21 H new ATOM 0 HD12 LEU A 104 -9.160 2.849 1.194 1.00 71.21 H new ATOM 0 HD13 LEU A 104 -8.068 4.187 0.764 1.00 71.21 H new ATOM 0 HD21 LEU A 104 -7.159 2.931 -1.939 1.00 71.52 H new ATOM 0 HD22 LEU A 104 -5.970 3.607 -0.801 1.00 71.52 H new ATOM 0 HD23 LEU A 104 -5.813 1.924 -1.357 1.00 71.52 H new ATOM 1704 N ILE A 105 -6.406 3.785 3.899 1.00 14.45 N ATOM 1705 CA ILE A 105 -7.004 4.743 4.857 1.00 63.12 C ATOM 1706 C ILE A 105 -6.047 5.923 5.124 1.00 64.11 C ATOM 1707 O ILE A 105 -6.520 7.050 5.350 1.00 70.23 O ATOM 1708 CB ILE A 105 -7.379 4.016 6.221 1.00 71.52 C ATOM 1709 CG1 ILE A 105 -8.519 2.971 5.997 1.00 0.41 C ATOM 1710 CG2 ILE A 105 -7.757 5.015 7.351 1.00 32.11 C ATOM 1711 CD1 ILE A 105 -8.817 2.044 7.170 1.00 2.05 C ATOM 0 H ILE A 105 -6.293 2.848 4.286 1.00 14.45 H new ATOM 0 HA ILE A 105 -7.918 5.136 4.412 1.00 63.12 H new ATOM 0 HB ILE A 105 -6.483 3.492 6.554 1.00 71.52 H new ATOM 0 HG12 ILE A 105 -9.433 3.509 5.743 1.00 0.41 H new ATOM 0 HG13 ILE A 105 -8.259 2.359 5.133 1.00 0.41 H new ATOM 0 HG21 ILE A 105 -8.003 4.462 8.258 1.00 32.11 H new ATOM 0 HG22 ILE A 105 -6.914 5.678 7.548 1.00 32.11 H new ATOM 0 HG23 ILE A 105 -8.619 5.606 7.041 1.00 32.11 H new ATOM 0 HD11 ILE A 105 -9.624 1.363 6.900 1.00 2.05 H new ATOM 0 HD12 ILE A 105 -7.924 1.469 7.415 1.00 2.05 H new ATOM 0 HD13 ILE A 105 -9.116 2.636 8.035 1.00 2.05 H new ATOM 1723 N ILE A 106 -4.692 5.684 5.089 1.00 72.11 N ATOM 1724 CA ILE A 106 -3.678 6.739 5.291 1.00 63.50 C ATOM 1725 C ILE A 106 -3.691 7.759 4.107 1.00 25.41 C ATOM 1726 O ILE A 106 -3.545 8.983 4.321 1.00 75.02 O ATOM 1727 CB ILE A 106 -2.257 6.110 5.489 1.00 55.41 C ATOM 1728 CG1 ILE A 106 -2.208 5.273 6.819 1.00 34.41 C ATOM 1729 CG2 ILE A 106 -1.099 7.168 5.451 1.00 60.32 C ATOM 1730 CD1 ILE A 106 -0.919 4.444 6.980 1.00 65.22 C ATOM 0 H ILE A 106 -4.293 4.760 4.921 1.00 72.11 H new ATOM 0 HA ILE A 106 -3.929 7.287 6.199 1.00 63.50 H new ATOM 0 HB ILE A 106 -2.089 5.447 4.640 1.00 55.41 H new ATOM 0 HG12 ILE A 106 -2.303 5.950 7.668 1.00 34.41 H new ATOM 0 HG13 ILE A 106 -3.067 4.603 6.848 1.00 34.41 H new ATOM 0 HG21 ILE A 106 -0.142 6.666 5.594 1.00 60.32 H new ATOM 0 HG22 ILE A 106 -1.101 7.676 4.486 1.00 60.32 H new ATOM 0 HG23 ILE A 106 -1.248 7.899 6.246 1.00 60.32 H new ATOM 0 HD11 ILE A 106 -0.956 3.893 7.920 1.00 65.22 H new ATOM 0 HD12 ILE A 106 -0.832 3.742 6.151 1.00 65.22 H new ATOM 0 HD13 ILE A 106 -0.056 5.110 6.983 1.00 65.22 H new ATOM 1742 N ILE A 107 -3.919 7.278 2.859 1.00 22.22 N ATOM 1743 CA ILE A 107 -4.004 8.153 1.653 1.00 43.54 C ATOM 1744 C ILE A 107 -5.457 8.623 1.371 1.00 65.35 C ATOM 1745 O ILE A 107 -5.655 9.620 0.667 1.00 64.44 O ATOM 1746 CB ILE A 107 -3.328 7.487 0.348 1.00 23.45 C ATOM 1747 CG1 ILE A 107 -4.119 6.248 -0.267 1.00 12.34 C ATOM 1748 CG2 ILE A 107 -1.870 7.068 0.665 1.00 34.44 C ATOM 1749 CD1 ILE A 107 -5.233 6.589 -1.266 1.00 44.20 C ATOM 0 H ILE A 107 -4.048 6.287 2.657 1.00 22.22 H new ATOM 0 HA ILE A 107 -3.417 9.042 1.886 1.00 43.54 H new ATOM 0 HB ILE A 107 -3.359 8.262 -0.418 1.00 23.45 H new ATOM 0 HG12 ILE A 107 -3.401 5.594 -0.763 1.00 12.34 H new ATOM 0 HG13 ILE A 107 -4.556 5.678 0.553 1.00 12.34 H new ATOM 0 HG21 ILE A 107 -1.420 6.619 -0.220 1.00 34.44 H new ATOM 0 HG22 ILE A 107 -1.295 7.946 0.959 1.00 34.44 H new ATOM 0 HG23 ILE A 107 -1.868 6.344 1.480 1.00 34.44 H new ATOM 0 HD11 ILE A 107 -5.701 5.669 -1.618 1.00 44.20 H new ATOM 0 HD12 ILE A 107 -5.982 7.213 -0.777 1.00 44.20 H new ATOM 0 HD13 ILE A 107 -4.809 7.128 -2.114 1.00 44.20 H new ATOM 1761 N SER A 108 -6.447 7.916 1.940 1.00 64.23 N ATOM 1762 CA SER A 108 -7.885 8.150 1.725 1.00 31.05 C ATOM 1763 C SER A 108 -8.441 9.074 2.815 1.00 65.23 C ATOM 1764 O SER A 108 -9.315 8.686 3.613 1.00 45.24 O ATOM 1765 CB SER A 108 -8.654 6.790 1.669 1.00 74.11 C ATOM 1766 OG SER A 108 -10.053 6.966 1.496 1.00 70.44 O ATOM 0 H SER A 108 -6.264 7.144 2.581 1.00 64.23 H new ATOM 0 HA SER A 108 -8.027 8.648 0.766 1.00 31.05 H new ATOM 0 HB2 SER A 108 -8.262 6.188 0.849 1.00 74.11 H new ATOM 0 HB3 SER A 108 -8.471 6.234 2.589 1.00 74.11 H new ATOM 0 HG SER A 108 -10.408 7.509 2.231 1.00 70.44 H new ATOM 1772 N ARG A 109 -7.907 10.303 2.851 1.00 2.21 N ATOM 1773 CA ARG A 109 -8.382 11.355 3.759 1.00 1.04 C ATOM 1774 C ARG A 109 -8.958 12.527 2.943 1.00 62.22 C ATOM 1775 O ARG A 109 -8.195 13.325 2.382 1.00 61.33 O ATOM 1776 CB ARG A 109 -7.243 11.864 4.692 1.00 62.43 C ATOM 1777 CG ARG A 109 -7.719 12.924 5.717 1.00 34.41 C ATOM 1778 CD ARG A 109 -6.576 13.616 6.477 1.00 74.41 C ATOM 1779 NE ARG A 109 -7.106 14.660 7.383 1.00 33.32 N ATOM 1780 CZ ARG A 109 -6.575 15.881 7.580 1.00 64.13 C ATOM 1781 NH1 ARG A 109 -5.471 16.269 6.940 1.00 74.25 N ATOM 1782 NH2 ARG A 109 -7.174 16.725 8.412 1.00 64.51 N ATOM 0 H ARG A 109 -7.135 10.595 2.252 1.00 2.21 H new ATOM 0 HA ARG A 109 -9.163 10.929 4.389 1.00 1.04 H new ATOM 0 HB2 ARG A 109 -6.816 11.017 5.228 1.00 62.43 H new ATOM 0 HB3 ARG A 109 -6.446 12.290 4.082 1.00 62.43 H new ATOM 0 HG2 ARG A 109 -8.306 13.681 5.196 1.00 34.41 H new ATOM 0 HG3 ARG A 109 -8.383 12.446 6.437 1.00 34.41 H new ATOM 0 HD2 ARG A 109 -6.016 12.878 7.052 1.00 74.41 H new ATOM 0 HD3 ARG A 109 -5.879 14.063 5.768 1.00 74.41 H new ATOM 0 HE ARG A 109 -7.952 14.433 7.906 1.00 33.32 H new ATOM 0 HH11 ARG A 109 -5.012 15.636 6.286 1.00 74.25 H new ATOM 0 HH12 ARG A 109 -5.086 17.199 7.105 1.00 74.25 H new ATOM 0 HH21 ARG A 109 -8.028 16.446 8.895 1.00 64.51 H new ATOM 0 HH22 ARG A 109 -6.780 17.653 8.569 1.00 64.51 H new ATOM 1796 N PRO A 110 -10.309 12.602 2.780 1.00 61.44 N ATOM 1797 CA PRO A 110 -10.998 13.845 2.435 1.00 53.40 C ATOM 1798 C PRO A 110 -11.518 14.512 3.744 1.00 54.54 C ATOM 1799 O PRO A 110 -10.702 15.048 4.508 1.00 22.24 O ATOM 1800 CB PRO A 110 -12.101 13.337 1.463 1.00 5.21 C ATOM 1801 CG PRO A 110 -12.367 11.892 1.853 1.00 33.23 C ATOM 1802 CD PRO A 110 -11.282 11.484 2.855 1.00 73.32 C ATOM 0 HA PRO A 110 -10.401 14.626 1.964 1.00 53.40 H new ATOM 0 HB2 PRO A 110 -13.006 13.938 1.551 1.00 5.21 H new ATOM 0 HB3 PRO A 110 -11.771 13.407 0.427 1.00 5.21 H new ATOM 0 HG2 PRO A 110 -13.358 11.790 2.296 1.00 33.23 H new ATOM 0 HG3 PRO A 110 -12.342 11.246 0.975 1.00 33.23 H new ATOM 0 HD2 PRO A 110 -11.686 11.369 3.861 1.00 73.32 H new ATOM 0 HD3 PRO A 110 -10.823 10.533 2.586 1.00 73.32 H new ATOM 1810 N ALA A 111 -12.844 14.433 4.011 1.00 55.52 N ATOM 1811 CA ALA A 111 -13.477 14.848 5.277 1.00 25.33 C ATOM 1812 C ALA A 111 -14.970 14.493 5.181 1.00 10.13 C ATOM 1813 O ALA A 111 -15.703 15.156 4.451 1.00 72.42 O ATOM 1814 CB ALA A 111 -13.293 16.358 5.547 1.00 75.00 C ATOM 0 H ALA A 111 -13.515 14.070 3.334 1.00 55.52 H new ATOM 0 HA ALA A 111 -13.005 14.328 6.111 1.00 25.33 H new ATOM 0 HB1 ALA A 111 -13.774 16.620 6.489 1.00 75.00 H new ATOM 0 HB2 ALA A 111 -12.230 16.590 5.606 1.00 75.00 H new ATOM 0 HB3 ALA A 111 -13.745 16.930 4.737 1.00 75.00 H new ATOM 1820 N ARG A 112 -15.411 13.425 5.867 1.00 4.43 N ATOM 1821 CA ARG A 112 -16.803 12.939 5.749 1.00 22.32 C ATOM 1822 C ARG A 112 -17.737 13.707 6.730 1.00 72.03 C ATOM 1823 O ARG A 112 -18.655 14.411 6.258 1.00 41.24 O ATOM 1824 CB ARG A 112 -16.875 11.387 5.917 1.00 50.11 C ATOM 1825 CG ARG A 112 -16.359 10.812 7.258 1.00 2.05 C ATOM 1826 CD ARG A 112 -16.415 9.273 7.295 1.00 2.03 C ATOM 1827 NE ARG A 112 -16.102 8.731 8.632 1.00 12.11 N ATOM 1828 CZ ARG A 112 -15.124 7.858 8.921 1.00 2.34 C ATOM 1829 NH1 ARG A 112 -14.307 7.395 7.975 1.00 53.33 N ATOM 1830 NH2 ARG A 112 -14.981 7.431 10.164 1.00 31.11 N ATOM 1831 OXT ARG A 112 -17.506 13.673 7.962 1.00 38.50 O ATOM 0 H ARG A 112 -14.830 12.882 6.506 1.00 4.43 H new ATOM 0 HA ARG A 112 -17.166 13.150 4.743 1.00 22.32 H new ATOM 0 HB2 ARG A 112 -17.913 11.078 5.790 1.00 50.11 H new ATOM 0 HB3 ARG A 112 -16.305 10.930 5.108 1.00 50.11 H new ATOM 0 HG2 ARG A 112 -15.332 11.140 7.420 1.00 2.05 H new ATOM 0 HG3 ARG A 112 -16.955 11.215 8.077 1.00 2.05 H new ATOM 0 HD2 ARG A 112 -17.409 8.941 6.995 1.00 2.03 H new ATOM 0 HD3 ARG A 112 -15.711 8.869 6.568 1.00 2.03 H new ATOM 0 HE ARG A 112 -16.683 9.049 9.408 1.00 12.11 H new ATOM 0 HH11 ARG A 112 -14.418 7.704 7.009 1.00 53.33 H new ATOM 0 HH12 ARG A 112 -13.570 6.732 8.217 1.00 53.33 H new ATOM 0 HH21 ARG A 112 -15.611 7.765 10.894 1.00 31.11 H new ATOM 0 HH22 ARG A 112 -14.241 6.768 10.393 1.00 31.11 H new TER 1845 ARG A 112