USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 794 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 SER OG : rot 38:sc= 0.0281 USER MOD Set 1.2: A 95 SER OG : rot -149:sc= -0.596 USER MOD Set 2.1: A 37 SER OG : rot 120:sc= 0.206 USER MOD Set 2.2: A 69 HIS :FLIP no HD1:sc= -1.16 F(o=-1.2!,f=0.42) USER MOD Set 2.3: A 87 TYR OH : rot -55:sc= 1.37 USER MOD Set 3.1: A 64 ASN :FLIP amide:sc= -0.455 F(o=-3.2!,f=-0.82) USER MOD Set 3.2: A 68 THR OG1 : rot 180:sc= -0.367 USER MOD Set 3.3: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 60 ASN : amide:sc= -0.0734 X(o=-0.5,f=-0.42) USER MOD Set 4.2: A 72 THR OG1 : rot 180:sc= -0.424 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00178 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -3.83! C(o=-3.8!,f=-4.7!) USER MOD Single : A 32 SER OG : rot 180:sc=-0.00362 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -177:sc= 0.464 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -1.91 X(o=-1.9,f=-2.1!) USER MOD Single : A 81 TYR OH : rot -150:sc= -0.594 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.168) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 49:sc= -0.221 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.388 22.748 -6.249 1.00 0.00 N ATOM 2 CA GLY A 1 -10.971 23.762 -5.298 1.00 0.00 C ATOM 3 C GLY A 1 -10.058 24.800 -5.921 1.00 0.00 C ATOM 4 O GLY A 1 -10.325 25.295 -7.015 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.010 22.062 -5.775 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.902 23.198 -7.033 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.551 22.256 -6.621 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.852 24.256 -4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.457 23.284 -4.464 1.00 0.00 H new ATOM 8 N SER A 2 -8.976 25.130 -5.221 1.00 0.00 N ATOM 9 CA SER A 2 -8.023 26.119 -5.709 1.00 0.00 C ATOM 10 C SER A 2 -6.640 25.500 -5.884 1.00 0.00 C ATOM 11 O SER A 2 -6.425 24.331 -5.564 1.00 0.00 O ATOM 12 CB SER A 2 -7.946 27.303 -4.743 1.00 0.00 C ATOM 13 OG SER A 2 -9.233 27.838 -4.488 1.00 0.00 O ATOM 0 H SER A 2 -8.739 24.727 -4.315 1.00 0.00 H new ATOM 0 HA SER A 2 -8.369 26.473 -6.680 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.490 26.983 -3.806 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.303 28.077 -5.162 1.00 0.00 H new ATOM 0 HG SER A 2 -9.157 28.592 -3.867 1.00 0.00 H new ATOM 19 N SER A 3 -5.704 26.293 -6.397 1.00 0.00 N ATOM 20 CA SER A 3 -4.342 25.823 -6.619 1.00 0.00 C ATOM 21 C SER A 3 -3.348 26.979 -6.537 1.00 0.00 C ATOM 22 O SER A 3 -3.726 28.145 -6.645 1.00 0.00 O ATOM 23 CB SER A 3 -4.233 25.137 -7.982 1.00 0.00 C ATOM 24 OG SER A 3 -5.042 23.975 -8.034 1.00 0.00 O ATOM 0 H SER A 3 -5.864 27.264 -6.666 1.00 0.00 H new ATOM 0 HA SER A 3 -4.100 25.103 -5.837 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.536 25.830 -8.767 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.194 24.870 -8.176 1.00 0.00 H new ATOM 0 HG SER A 3 -4.956 23.556 -8.916 1.00 0.00 H new ATOM 30 N GLY A 4 -2.076 26.644 -6.348 1.00 0.00 N ATOM 31 CA GLY A 4 -1.047 27.664 -6.255 1.00 0.00 C ATOM 32 C GLY A 4 0.188 27.176 -5.526 1.00 0.00 C ATOM 33 O GLY A 4 0.531 25.996 -5.591 1.00 0.00 O ATOM 0 H GLY A 4 -1.739 25.685 -6.258 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.769 27.988 -7.258 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.449 28.536 -5.739 1.00 0.00 H new ATOM 37 N SER A 5 0.860 28.086 -4.828 1.00 0.00 N ATOM 38 CA SER A 5 2.069 27.744 -4.088 1.00 0.00 C ATOM 39 C SER A 5 1.749 26.795 -2.935 1.00 0.00 C ATOM 40 O SER A 5 1.166 27.197 -1.929 1.00 0.00 O ATOM 41 CB SER A 5 2.739 29.009 -3.549 1.00 0.00 C ATOM 42 OG SER A 5 2.942 29.958 -4.581 1.00 0.00 O ATOM 0 H SER A 5 0.587 29.066 -4.759 1.00 0.00 H new ATOM 0 HA SER A 5 2.754 27.242 -4.772 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.120 29.446 -2.765 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.695 28.752 -3.094 1.00 0.00 H new ATOM 0 HG SER A 5 3.370 30.758 -4.210 1.00 0.00 H new ATOM 48 N SER A 6 2.134 25.533 -3.093 1.00 0.00 N ATOM 49 CA SER A 6 1.885 24.524 -2.070 1.00 0.00 C ATOM 50 C SER A 6 3.094 24.372 -1.152 1.00 0.00 C ATOM 51 O SER A 6 4.236 24.550 -1.575 1.00 0.00 O ATOM 52 CB SER A 6 1.552 23.179 -2.719 1.00 0.00 C ATOM 53 OG SER A 6 2.727 22.522 -3.161 1.00 0.00 O ATOM 0 H SER A 6 2.620 25.185 -3.920 1.00 0.00 H new ATOM 0 HA SER A 6 1.034 24.851 -1.472 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.025 22.547 -2.004 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.880 23.335 -3.563 1.00 0.00 H new ATOM 0 HG SER A 6 2.488 21.664 -3.570 1.00 0.00 H new ATOM 59 N GLY A 7 2.835 24.042 0.110 1.00 0.00 N ATOM 60 CA GLY A 7 3.910 23.872 1.070 1.00 0.00 C ATOM 61 C GLY A 7 3.543 22.920 2.189 1.00 0.00 C ATOM 62 O GLY A 7 4.014 21.782 2.226 1.00 0.00 O ATOM 0 H GLY A 7 1.899 23.889 0.485 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.796 23.499 0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.171 24.842 1.493 1.00 0.00 H new ATOM 66 N VAL A 8 2.700 23.383 3.107 1.00 0.00 N ATOM 67 CA VAL A 8 2.271 22.564 4.233 1.00 0.00 C ATOM 68 C VAL A 8 2.062 21.114 3.811 1.00 0.00 C ATOM 69 O VAL A 8 1.753 20.832 2.653 1.00 0.00 O ATOM 70 CB VAL A 8 0.966 23.099 4.852 1.00 0.00 C ATOM 71 CG1 VAL A 8 -0.192 22.939 3.879 1.00 0.00 C ATOM 72 CG2 VAL A 8 0.670 22.394 6.167 1.00 0.00 C ATOM 0 H VAL A 8 2.301 24.322 3.092 1.00 0.00 H new ATOM 0 HA VAL A 8 3.065 22.612 4.978 1.00 0.00 H new ATOM 0 HB VAL A 8 1.092 24.162 5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.105 23.322 4.334 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.020 23.496 2.966 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.322 21.884 3.638 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.256 22.785 6.589 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.564 21.324 5.990 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.489 22.567 6.865 1.00 0.00 H new ATOM 82 N VAL A 9 2.233 20.197 4.758 1.00 0.00 N ATOM 83 CA VAL A 9 2.062 18.775 4.485 1.00 0.00 C ATOM 84 C VAL A 9 0.660 18.309 4.860 1.00 0.00 C ATOM 85 O VAL A 9 0.173 18.589 5.955 1.00 0.00 O ATOM 86 CB VAL A 9 3.094 17.928 5.252 1.00 0.00 C ATOM 87 CG1 VAL A 9 2.784 16.446 5.107 1.00 0.00 C ATOM 88 CG2 VAL A 9 4.503 18.235 4.764 1.00 0.00 C ATOM 0 H VAL A 9 2.490 20.414 5.721 1.00 0.00 H new ATOM 0 HA VAL A 9 2.214 18.638 3.414 1.00 0.00 H new ATOM 0 HB VAL A 9 3.034 18.186 6.309 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.524 15.864 5.656 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.791 16.241 5.508 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.814 16.169 4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.220 17.628 5.317 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.578 18.007 3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.722 19.291 4.925 1.00 0.00 H new ATOM 98 N ASP A 10 0.015 17.594 3.943 1.00 0.00 N ATOM 99 CA ASP A 10 -1.332 17.086 4.178 1.00 0.00 C ATOM 100 C ASP A 10 -1.417 15.600 3.846 1.00 0.00 C ATOM 101 O ASP A 10 -1.602 15.205 2.694 1.00 0.00 O ATOM 102 CB ASP A 10 -2.347 17.867 3.342 1.00 0.00 C ATOM 103 CG ASP A 10 -2.607 19.254 3.895 1.00 0.00 C ATOM 104 OD1 ASP A 10 -1.628 19.954 4.228 1.00 0.00 O ATOM 105 OD2 ASP A 10 -3.791 19.640 3.998 1.00 0.00 O ATOM 0 H ASP A 10 0.403 17.354 3.031 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.565 17.218 5.235 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -1.983 17.950 2.318 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.285 17.313 3.303 1.00 0.00 H new ATOM 110 N PRO A 11 -1.278 14.754 4.877 1.00 0.00 N ATOM 111 CA PRO A 11 -1.336 13.298 4.720 1.00 0.00 C ATOM 112 C PRO A 11 -2.739 12.806 4.379 1.00 0.00 C ATOM 113 O PRO A 11 -2.975 11.604 4.268 1.00 0.00 O ATOM 114 CB PRO A 11 -0.905 12.776 6.093 1.00 0.00 C ATOM 115 CG PRO A 11 -1.249 13.873 7.041 1.00 0.00 C ATOM 116 CD PRO A 11 -1.055 15.154 6.277 1.00 0.00 C ATOM 0 HA PRO A 11 -0.707 12.951 3.900 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.428 11.854 6.348 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.162 12.554 6.115 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.277 13.779 7.391 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.608 13.843 7.922 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.762 15.921 6.593 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.055 15.562 6.424 1.00 0.00 H new ATOM 124 N SER A 12 -3.666 13.744 4.213 1.00 0.00 N ATOM 125 CA SER A 12 -5.046 13.407 3.887 1.00 0.00 C ATOM 126 C SER A 12 -5.330 13.649 2.408 1.00 0.00 C ATOM 127 O SER A 12 -6.442 13.421 1.932 1.00 0.00 O ATOM 128 CB SER A 12 -6.011 14.228 4.745 1.00 0.00 C ATOM 129 OG SER A 12 -5.974 13.807 6.098 1.00 0.00 O ATOM 0 H SER A 12 -3.486 14.744 4.299 1.00 0.00 H new ATOM 0 HA SER A 12 -5.195 12.348 4.099 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.750 15.284 4.682 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.024 14.126 4.357 1.00 0.00 H new ATOM 0 HG SER A 12 -6.598 14.348 6.626 1.00 0.00 H new ATOM 135 N LYS A 13 -4.317 14.115 1.685 1.00 0.00 N ATOM 136 CA LYS A 13 -4.455 14.387 0.260 1.00 0.00 C ATOM 137 C LYS A 13 -3.787 13.296 -0.571 1.00 0.00 C ATOM 138 O LYS A 13 -3.934 13.254 -1.792 1.00 0.00 O ATOM 139 CB LYS A 13 -3.842 15.748 -0.080 1.00 0.00 C ATOM 140 CG LYS A 13 -4.287 16.865 0.847 1.00 0.00 C ATOM 141 CD LYS A 13 -5.625 17.445 0.419 1.00 0.00 C ATOM 142 CE LYS A 13 -6.784 16.730 1.096 1.00 0.00 C ATOM 143 NZ LYS A 13 -8.072 17.449 0.897 1.00 0.00 N ATOM 0 H LYS A 13 -3.391 14.312 2.064 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.518 14.402 0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.756 15.667 -0.042 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.107 16.010 -1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.363 16.485 1.866 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.534 17.653 0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.658 18.507 0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.728 17.364 -0.663 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.868 15.718 0.699 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.581 16.638 2.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.837 16.930 1.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.001 18.406 1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.280 17.514 -0.120 1.00 0.00 H new ATOM 157 N VAL A 14 -3.056 12.412 0.100 1.00 0.00 N ATOM 158 CA VAL A 14 -2.369 11.318 -0.575 1.00 0.00 C ATOM 159 C VAL A 14 -3.291 10.118 -0.756 1.00 0.00 C ATOM 160 O VAL A 14 -3.912 9.648 0.198 1.00 0.00 O ATOM 161 CB VAL A 14 -1.116 10.875 0.203 1.00 0.00 C ATOM 162 CG1 VAL A 14 -1.451 10.648 1.670 1.00 0.00 C ATOM 163 CG2 VAL A 14 -0.520 9.620 -0.416 1.00 0.00 C ATOM 0 H VAL A 14 -2.924 12.432 1.111 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.067 11.692 -1.553 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.373 11.670 0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.554 10.335 2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.828 11.574 2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.212 9.872 1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.365 9.322 0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.256 8.816 -0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.241 9.822 -1.450 1.00 0.00 H new ATOM 173 N LYS A 15 -3.378 9.625 -1.987 1.00 0.00 N ATOM 174 CA LYS A 15 -4.224 8.478 -2.295 1.00 0.00 C ATOM 175 C LYS A 15 -3.427 7.391 -3.009 1.00 0.00 C ATOM 176 O LYS A 15 -2.279 7.605 -3.399 1.00 0.00 O ATOM 177 CB LYS A 15 -5.408 8.909 -3.162 1.00 0.00 C ATOM 178 CG LYS A 15 -6.217 10.047 -2.563 1.00 0.00 C ATOM 179 CD LYS A 15 -5.651 11.401 -2.955 1.00 0.00 C ATOM 180 CE LYS A 15 -6.136 11.832 -4.331 1.00 0.00 C ATOM 181 NZ LYS A 15 -5.844 13.269 -4.597 1.00 0.00 N ATOM 0 H LYS A 15 -2.872 10.002 -2.788 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.599 8.072 -1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.039 9.213 -4.142 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.063 8.052 -3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.252 9.974 -2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.226 9.956 -1.477 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.943 12.146 -2.215 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.562 11.356 -2.950 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.658 11.217 -5.094 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.209 11.659 -4.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.190 13.524 -5.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.321 13.858 -3.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.818 13.429 -4.548 1.00 0.00 H new ATOM 195 N ILE A 16 -4.044 6.226 -3.178 1.00 0.00 N ATOM 196 CA ILE A 16 -3.392 5.107 -3.848 1.00 0.00 C ATOM 197 C ILE A 16 -4.389 4.308 -4.680 1.00 0.00 C ATOM 198 O ILE A 16 -5.491 4.005 -4.224 1.00 0.00 O ATOM 199 CB ILE A 16 -2.713 4.165 -2.837 1.00 0.00 C ATOM 200 CG1 ILE A 16 -3.762 3.478 -1.962 1.00 0.00 C ATOM 201 CG2 ILE A 16 -1.720 4.935 -1.979 1.00 0.00 C ATOM 202 CD1 ILE A 16 -3.167 2.597 -0.885 1.00 0.00 C ATOM 0 H ILE A 16 -4.994 6.032 -2.860 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.632 5.531 -4.505 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.169 3.398 -3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.387 4.238 -1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.413 2.875 -2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.248 4.255 -1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.957 5.380 -2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.243 5.722 -1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.969 2.142 -0.303 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.565 1.815 -1.347 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.539 3.199 -0.229 1.00 0.00 H new ATOM 214 N ALA A 17 -3.994 3.969 -5.903 1.00 0.00 N ATOM 215 CA ALA A 17 -4.852 3.201 -6.797 1.00 0.00 C ATOM 216 C ALA A 17 -4.040 2.195 -7.606 1.00 0.00 C ATOM 217 O ALA A 17 -3.065 2.554 -8.263 1.00 0.00 O ATOM 218 CB ALA A 17 -5.615 4.134 -7.725 1.00 0.00 C ATOM 0 H ALA A 17 -3.086 4.214 -6.297 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.567 2.647 -6.189 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.252 3.548 -8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.232 4.811 -7.134 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.909 4.713 -8.320 1.00 0.00 H new ATOM 224 N GLY A 18 -4.450 0.931 -7.553 1.00 0.00 N ATOM 225 CA GLY A 18 -3.749 -0.108 -8.284 1.00 0.00 C ATOM 226 C GLY A 18 -4.288 -1.493 -7.983 1.00 0.00 C ATOM 227 O GLY A 18 -5.110 -1.682 -7.087 1.00 0.00 O ATOM 0 H GLY A 18 -5.255 0.608 -7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.831 0.086 -9.353 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.689 -0.072 -8.034 1.00 0.00 H new ATOM 231 N PRO A 19 -3.820 -2.492 -8.747 1.00 0.00 N ATOM 232 CA PRO A 19 -4.247 -3.884 -8.577 1.00 0.00 C ATOM 233 C PRO A 19 -3.725 -4.497 -7.282 1.00 0.00 C ATOM 234 O PRO A 19 -4.381 -5.341 -6.674 1.00 0.00 O ATOM 235 CB PRO A 19 -3.637 -4.592 -9.788 1.00 0.00 C ATOM 236 CG PRO A 19 -2.461 -3.758 -10.164 1.00 0.00 C ATOM 237 CD PRO A 19 -2.838 -2.340 -9.833 1.00 0.00 C ATOM 0 HA PRO A 19 -5.332 -3.973 -8.516 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.337 -5.610 -9.541 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.352 -4.660 -10.608 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.572 -4.065 -9.612 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.230 -3.863 -11.224 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.973 -1.758 -9.514 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.267 -1.827 -10.694 1.00 0.00 H new ATOM 245 N GLY A 20 -2.537 -4.066 -6.865 1.00 0.00 N ATOM 246 CA GLY A 20 -1.947 -4.583 -5.645 1.00 0.00 C ATOM 247 C GLY A 20 -2.855 -4.411 -4.443 1.00 0.00 C ATOM 248 O GLY A 20 -2.896 -5.267 -3.559 1.00 0.00 O ATOM 0 H GLY A 20 -1.974 -3.368 -7.351 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.719 -5.641 -5.775 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.002 -4.074 -5.458 1.00 0.00 H new ATOM 252 N LEU A 21 -3.584 -3.301 -4.409 1.00 0.00 N ATOM 253 CA LEU A 21 -4.494 -3.016 -3.306 1.00 0.00 C ATOM 254 C LEU A 21 -5.864 -3.641 -3.555 1.00 0.00 C ATOM 255 O LEU A 21 -6.677 -3.764 -2.640 1.00 0.00 O ATOM 256 CB LEU A 21 -4.638 -1.506 -3.111 1.00 0.00 C ATOM 257 CG LEU A 21 -3.336 -0.704 -3.107 1.00 0.00 C ATOM 258 CD1 LEU A 21 -3.584 0.719 -3.584 1.00 0.00 C ATOM 259 CD2 LEU A 21 -2.715 -0.701 -1.719 1.00 0.00 C ATOM 0 H LEU A 21 -3.562 -2.583 -5.133 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.074 -3.453 -2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.279 -1.117 -3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.154 -1.329 -2.167 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.637 -1.180 -3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.646 1.275 -3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.983 0.698 -4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.300 1.205 -2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.789 -0.126 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.410 -0.250 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.500 -1.725 -1.414 1.00 0.00 H new ATOM 271 N GLY A 22 -6.111 -4.035 -4.801 1.00 0.00 N ATOM 272 CA GLY A 22 -7.381 -4.643 -5.148 1.00 0.00 C ATOM 273 C GLY A 22 -7.641 -5.923 -4.379 1.00 0.00 C ATOM 274 O GLY A 22 -6.810 -6.354 -3.580 1.00 0.00 O ATOM 0 H GLY A 22 -5.454 -3.944 -5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.185 -3.934 -4.950 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.399 -4.855 -6.217 1.00 0.00 H new ATOM 278 N SER A 23 -8.798 -6.531 -4.617 1.00 0.00 N ATOM 279 CA SER A 23 -9.168 -7.767 -3.936 1.00 0.00 C ATOM 280 C SER A 23 -8.748 -8.984 -4.753 1.00 0.00 C ATOM 281 O SER A 23 -8.773 -10.113 -4.264 1.00 0.00 O ATOM 282 CB SER A 23 -10.676 -7.803 -3.683 1.00 0.00 C ATOM 283 OG SER A 23 -11.398 -7.792 -4.903 1.00 0.00 O ATOM 0 H SER A 23 -9.496 -6.188 -5.277 1.00 0.00 H new ATOM 0 HA SER A 23 -8.646 -7.796 -2.980 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.931 -8.697 -3.114 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.967 -6.945 -3.077 1.00 0.00 H new ATOM 0 HG SER A 23 -12.359 -7.817 -4.714 1.00 0.00 H new ATOM 289 N GLY A 24 -8.362 -8.747 -6.003 1.00 0.00 N ATOM 290 CA GLY A 24 -7.943 -9.832 -6.870 1.00 0.00 C ATOM 291 C GLY A 24 -6.458 -10.122 -6.759 1.00 0.00 C ATOM 292 O GLY A 24 -5.772 -10.277 -7.769 1.00 0.00 O ATOM 0 H GLY A 24 -8.332 -7.822 -6.431 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.506 -10.731 -6.619 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.185 -9.582 -7.903 1.00 0.00 H new ATOM 296 N VAL A 25 -5.962 -10.193 -5.528 1.00 0.00 N ATOM 297 CA VAL A 25 -4.549 -10.466 -5.289 1.00 0.00 C ATOM 298 C VAL A 25 -4.313 -11.950 -5.030 1.00 0.00 C ATOM 299 O VAL A 25 -5.119 -12.613 -4.379 1.00 0.00 O ATOM 300 CB VAL A 25 -4.017 -9.656 -4.091 1.00 0.00 C ATOM 301 CG1 VAL A 25 -2.567 -10.016 -3.806 1.00 0.00 C ATOM 302 CG2 VAL A 25 -4.164 -8.164 -4.351 1.00 0.00 C ATOM 0 H VAL A 25 -6.517 -10.066 -4.681 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.011 -10.167 -6.189 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.609 -9.908 -3.211 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.208 -9.434 -2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.495 -11.079 -3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.958 -9.793 -4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.784 -7.606 -3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.598 -7.892 -5.242 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.216 -7.923 -4.502 1.00 0.00 H new ATOM 312 N ARG A 26 -3.200 -12.463 -5.543 1.00 0.00 N ATOM 313 CA ARG A 26 -2.856 -13.870 -5.368 1.00 0.00 C ATOM 314 C ARG A 26 -1.541 -14.017 -4.608 1.00 0.00 C ATOM 315 O ARG A 26 -0.689 -13.129 -4.643 1.00 0.00 O ATOM 316 CB ARG A 26 -2.753 -14.564 -6.728 1.00 0.00 C ATOM 317 CG ARG A 26 -3.989 -14.391 -7.595 1.00 0.00 C ATOM 318 CD ARG A 26 -3.871 -15.172 -8.894 1.00 0.00 C ATOM 319 NE ARG A 26 -5.051 -15.010 -9.739 1.00 0.00 N ATOM 320 CZ ARG A 26 -5.098 -15.376 -11.015 1.00 0.00 C ATOM 321 NH1 ARG A 26 -4.035 -15.922 -11.591 1.00 0.00 N ATOM 322 NH2 ARG A 26 -6.208 -15.196 -11.718 1.00 0.00 N ATOM 0 H ARG A 26 -2.521 -11.926 -6.083 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.647 -14.343 -4.786 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.887 -14.172 -7.262 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.576 -15.628 -6.571 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.869 -14.726 -7.046 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.134 -13.334 -7.817 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.987 -14.839 -9.438 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.728 -16.229 -8.670 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.885 -14.593 -9.326 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.179 -16.062 -11.054 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.074 -16.202 -12.571 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.027 -14.776 -11.279 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.242 -15.478 -12.698 1.00 0.00 H new ATOM 336 N ALA A 27 -1.383 -15.145 -3.924 1.00 0.00 N ATOM 337 CA ALA A 27 -0.172 -15.410 -3.157 1.00 0.00 C ATOM 338 C ALA A 27 1.005 -15.713 -4.078 1.00 0.00 C ATOM 339 O ALA A 27 0.838 -16.320 -5.135 1.00 0.00 O ATOM 340 CB ALA A 27 -0.400 -16.563 -2.191 1.00 0.00 C ATOM 0 H ALA A 27 -2.078 -15.890 -3.885 1.00 0.00 H new ATOM 0 HA ALA A 27 0.069 -14.514 -2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.513 -16.750 -1.625 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.207 -16.308 -1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.669 -17.459 -2.751 1.00 0.00 H new ATOM 346 N ARG A 28 2.196 -15.286 -3.669 1.00 0.00 N ATOM 347 CA ARG A 28 3.400 -15.510 -4.458 1.00 0.00 C ATOM 348 C ARG A 28 3.276 -14.867 -5.836 1.00 0.00 C ATOM 349 O ARG A 28 3.660 -15.457 -6.845 1.00 0.00 O ATOM 350 CB ARG A 28 3.666 -17.010 -4.606 1.00 0.00 C ATOM 351 CG ARG A 28 3.767 -17.745 -3.280 1.00 0.00 C ATOM 352 CD ARG A 28 4.634 -18.989 -3.396 1.00 0.00 C ATOM 353 NE ARG A 28 5.243 -19.353 -2.119 1.00 0.00 N ATOM 354 CZ ARG A 28 5.872 -20.504 -1.907 1.00 0.00 C ATOM 355 NH1 ARG A 28 5.974 -21.397 -2.880 1.00 0.00 N ATOM 356 NH2 ARG A 28 6.399 -20.762 -0.717 1.00 0.00 N ATOM 0 H ARG A 28 2.352 -14.783 -2.795 1.00 0.00 H new ATOM 0 HA ARG A 28 4.237 -15.048 -3.935 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.867 -17.455 -5.198 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.592 -17.153 -5.162 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.184 -17.079 -2.525 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.770 -18.026 -2.942 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.029 -19.820 -3.759 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.417 -18.818 -4.135 1.00 0.00 H new ATOM 0 HE ARG A 28 5.182 -18.688 -1.348 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.569 -21.202 -3.796 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.458 -22.280 -2.714 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.321 -20.077 0.035 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.882 -21.645 -0.554 1.00 0.00 H new ATOM 370 N VAL A 29 2.734 -13.653 -5.869 1.00 0.00 N ATOM 371 CA VAL A 29 2.559 -12.929 -7.122 1.00 0.00 C ATOM 372 C VAL A 29 3.022 -11.482 -6.990 1.00 0.00 C ATOM 373 O VAL A 29 2.925 -10.883 -5.919 1.00 0.00 O ATOM 374 CB VAL A 29 1.088 -12.946 -7.579 1.00 0.00 C ATOM 375 CG1 VAL A 29 0.841 -11.869 -8.625 1.00 0.00 C ATOM 376 CG2 VAL A 29 0.713 -14.319 -8.116 1.00 0.00 C ATOM 0 H VAL A 29 2.409 -13.151 -5.043 1.00 0.00 H new ATOM 0 HA VAL A 29 3.170 -13.436 -7.869 1.00 0.00 H new ATOM 0 HB VAL A 29 0.455 -12.733 -6.717 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.203 -11.896 -8.936 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.068 -10.891 -8.201 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.481 -12.047 -9.489 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.329 -14.313 -8.434 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.350 -14.564 -8.966 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.849 -15.065 -7.333 1.00 0.00 H new ATOM 386 N LEU A 30 3.526 -10.927 -8.087 1.00 0.00 N ATOM 387 CA LEU A 30 4.005 -9.548 -8.094 1.00 0.00 C ATOM 388 C LEU A 30 2.842 -8.567 -7.986 1.00 0.00 C ATOM 389 O LEU A 30 2.032 -8.447 -8.904 1.00 0.00 O ATOM 390 CB LEU A 30 4.803 -9.273 -9.370 1.00 0.00 C ATOM 391 CG LEU A 30 5.482 -7.904 -9.454 1.00 0.00 C ATOM 392 CD1 LEU A 30 6.833 -7.935 -8.757 1.00 0.00 C ATOM 393 CD2 LEU A 30 5.637 -7.475 -10.906 1.00 0.00 C ATOM 0 H LEU A 30 3.614 -11.409 -8.982 1.00 0.00 H new ATOM 0 HA LEU A 30 4.654 -9.409 -7.229 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.568 -10.043 -9.469 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.133 -9.377 -10.224 1.00 0.00 H new ATOM 0 HG LEU A 30 4.852 -7.174 -8.946 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.301 -6.953 -8.827 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.695 -8.198 -7.708 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.472 -8.677 -9.236 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.122 -6.500 -10.947 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.246 -8.206 -11.438 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.654 -7.412 -11.374 1.00 0.00 H new ATOM 405 N GLN A 31 2.768 -7.866 -6.859 1.00 0.00 N ATOM 406 CA GLN A 31 1.705 -6.895 -6.632 1.00 0.00 C ATOM 407 C GLN A 31 2.278 -5.490 -6.473 1.00 0.00 C ATOM 408 O GLN A 31 3.192 -5.268 -5.681 1.00 0.00 O ATOM 409 CB GLN A 31 0.896 -7.273 -5.390 1.00 0.00 C ATOM 410 CG GLN A 31 0.396 -8.708 -5.404 1.00 0.00 C ATOM 411 CD GLN A 31 -0.685 -8.939 -6.442 1.00 0.00 C ATOM 412 OE1 GLN A 31 -1.188 -7.996 -7.052 1.00 0.00 O ATOM 413 NE2 GLN A 31 -1.047 -10.200 -6.648 1.00 0.00 N ATOM 0 H GLN A 31 3.432 -7.953 -6.089 1.00 0.00 H new ATOM 0 HA GLN A 31 1.047 -6.904 -7.501 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.513 -7.120 -4.504 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.043 -6.600 -5.304 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.233 -9.378 -5.601 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.008 -8.963 -4.418 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.603 -10.951 -6.119 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.769 -10.418 -7.335 1.00 0.00 H new ATOM 422 N SER A 32 1.732 -4.545 -7.232 1.00 0.00 N ATOM 423 CA SER A 32 2.191 -3.161 -7.178 1.00 0.00 C ATOM 424 C SER A 32 1.043 -2.197 -7.462 1.00 0.00 C ATOM 425 O SER A 32 0.017 -2.582 -8.022 1.00 0.00 O ATOM 426 CB SER A 32 3.320 -2.937 -8.185 1.00 0.00 C ATOM 427 OG SER A 32 3.910 -1.660 -8.013 1.00 0.00 O ATOM 0 H SER A 32 0.972 -4.712 -7.891 1.00 0.00 H new ATOM 0 HA SER A 32 2.566 -2.967 -6.173 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.078 -3.711 -8.064 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.931 -3.028 -9.199 1.00 0.00 H new ATOM 0 HG SER A 32 4.630 -1.542 -8.667 1.00 0.00 H new ATOM 433 N PHE A 33 1.224 -0.940 -7.070 1.00 0.00 N ATOM 434 CA PHE A 33 0.205 0.081 -7.280 1.00 0.00 C ATOM 435 C PHE A 33 0.838 1.463 -7.409 1.00 0.00 C ATOM 436 O PHE A 33 2.061 1.602 -7.407 1.00 0.00 O ATOM 437 CB PHE A 33 -0.801 0.073 -6.127 1.00 0.00 C ATOM 438 CG PHE A 33 -0.157 0.014 -4.771 1.00 0.00 C ATOM 439 CD1 PHE A 33 0.495 -1.135 -4.348 1.00 0.00 C ATOM 440 CD2 PHE A 33 -0.203 1.105 -3.919 1.00 0.00 C ATOM 441 CE1 PHE A 33 1.089 -1.193 -3.102 1.00 0.00 C ATOM 442 CE2 PHE A 33 0.390 1.052 -2.672 1.00 0.00 C ATOM 443 CZ PHE A 33 1.035 -0.098 -2.262 1.00 0.00 C ATOM 0 H PHE A 33 2.067 -0.604 -6.605 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.317 -0.148 -8.209 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.419 0.969 -6.188 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.467 -0.782 -6.242 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.539 -1.994 -5.000 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.708 2.007 -4.233 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.595 -2.093 -2.785 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.349 1.910 -2.018 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.496 -0.141 -1.286 1.00 0.00 H new ATOM 453 N THR A 34 -0.006 2.485 -7.523 1.00 0.00 N ATOM 454 CA THR A 34 0.469 3.856 -7.655 1.00 0.00 C ATOM 455 C THR A 34 0.004 4.715 -6.484 1.00 0.00 C ATOM 456 O THR A 34 -1.182 4.744 -6.156 1.00 0.00 O ATOM 457 CB THR A 34 -0.015 4.495 -8.971 1.00 0.00 C ATOM 458 OG1 THR A 34 0.423 3.711 -10.086 1.00 0.00 O ATOM 459 CG2 THR A 34 0.509 5.917 -9.107 1.00 0.00 C ATOM 0 H THR A 34 -1.021 2.388 -7.526 1.00 0.00 H new ATOM 0 HA THR A 34 1.558 3.813 -7.660 1.00 0.00 H new ATOM 0 HB THR A 34 -1.104 4.526 -8.955 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.110 4.123 -10.918 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.154 6.347 -10.043 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.150 6.519 -8.272 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.599 5.905 -9.103 1.00 0.00 H new ATOM 467 N VAL A 35 0.944 5.415 -5.858 1.00 0.00 N ATOM 468 CA VAL A 35 0.629 6.277 -4.725 1.00 0.00 C ATOM 469 C VAL A 35 0.758 7.749 -5.101 1.00 0.00 C ATOM 470 O VAL A 35 1.864 8.259 -5.280 1.00 0.00 O ATOM 471 CB VAL A 35 1.548 5.982 -3.524 1.00 0.00 C ATOM 472 CG1 VAL A 35 1.243 6.929 -2.374 1.00 0.00 C ATOM 473 CG2 VAL A 35 1.402 4.532 -3.085 1.00 0.00 C ATOM 0 H VAL A 35 1.931 5.402 -6.116 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.403 6.067 -4.444 1.00 0.00 H new ATOM 0 HB VAL A 35 2.582 6.142 -3.831 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.902 6.706 -1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.403 7.958 -2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.205 6.803 -2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.058 4.341 -2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.369 4.342 -2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.675 3.873 -3.909 1.00 0.00 H new ATOM 483 N ASP A 36 -0.379 8.425 -5.218 1.00 0.00 N ATOM 484 CA ASP A 36 -0.394 9.839 -5.570 1.00 0.00 C ATOM 485 C ASP A 36 -0.307 10.712 -4.323 1.00 0.00 C ATOM 486 O ASP A 36 -1.285 10.868 -3.593 1.00 0.00 O ATOM 487 CB ASP A 36 -1.662 10.177 -6.357 1.00 0.00 C ATOM 488 CG ASP A 36 -1.712 11.633 -6.776 1.00 0.00 C ATOM 489 OD1 ASP A 36 -1.102 12.472 -6.081 1.00 0.00 O ATOM 490 OD2 ASP A 36 -2.362 11.934 -7.800 1.00 0.00 O ATOM 0 H ASP A 36 -1.302 8.016 -5.074 1.00 0.00 H new ATOM 0 HA ASP A 36 0.477 10.041 -6.194 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.715 9.545 -7.243 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.536 9.947 -5.748 1.00 0.00 H new ATOM 495 N SER A 37 0.873 11.277 -4.083 1.00 0.00 N ATOM 496 CA SER A 37 1.089 12.130 -2.921 1.00 0.00 C ATOM 497 C SER A 37 1.571 13.514 -3.344 1.00 0.00 C ATOM 498 O SER A 37 2.263 14.199 -2.593 1.00 0.00 O ATOM 499 CB SER A 37 2.108 11.490 -1.975 1.00 0.00 C ATOM 500 OG SER A 37 3.434 11.733 -2.416 1.00 0.00 O ATOM 0 H SER A 37 1.693 11.159 -4.678 1.00 0.00 H new ATOM 0 HA SER A 37 0.138 12.240 -2.400 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.977 11.889 -0.969 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.931 10.416 -1.917 1.00 0.00 H new ATOM 0 HG SER A 37 3.922 12.230 -1.727 1.00 0.00 H new ATOM 506 N SER A 38 1.197 13.918 -4.554 1.00 0.00 N ATOM 507 CA SER A 38 1.593 15.219 -5.081 1.00 0.00 C ATOM 508 C SER A 38 0.901 16.347 -4.321 1.00 0.00 C ATOM 509 O SER A 38 1.490 17.400 -4.077 1.00 0.00 O ATOM 510 CB SER A 38 1.258 15.314 -6.571 1.00 0.00 C ATOM 511 OG SER A 38 1.456 16.629 -7.057 1.00 0.00 O ATOM 0 H SER A 38 0.621 13.364 -5.187 1.00 0.00 H new ATOM 0 HA SER A 38 2.670 15.323 -4.950 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.882 14.618 -7.132 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.222 15.015 -6.733 1.00 0.00 H new ATOM 0 HG SER A 38 1.236 16.662 -8.011 1.00 0.00 H new ATOM 517 N LYS A 39 -0.355 16.119 -3.951 1.00 0.00 N ATOM 518 CA LYS A 39 -1.129 17.113 -3.218 1.00 0.00 C ATOM 519 C LYS A 39 -0.788 17.080 -1.731 1.00 0.00 C ATOM 520 O LYS A 39 -1.037 18.042 -1.006 1.00 0.00 O ATOM 521 CB LYS A 39 -2.627 16.868 -3.414 1.00 0.00 C ATOM 522 CG LYS A 39 -3.077 16.981 -4.860 1.00 0.00 C ATOM 523 CD LYS A 39 -4.530 17.413 -4.960 1.00 0.00 C ATOM 524 CE LYS A 39 -4.902 17.793 -6.385 1.00 0.00 C ATOM 525 NZ LYS A 39 -5.110 16.592 -7.242 1.00 0.00 N ATOM 0 H LYS A 39 -0.858 15.254 -4.147 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.873 18.098 -3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.876 15.874 -3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.186 17.584 -2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.446 17.700 -5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.947 16.020 -5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.175 16.604 -4.618 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.705 18.262 -4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.811 18.394 -6.375 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.114 18.413 -6.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.362 16.892 -8.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.235 16.031 -7.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.879 16.013 -6.848 1.00 0.00 H new ATOM 539 N ALA A 40 -0.217 15.967 -1.284 1.00 0.00 N ATOM 540 CA ALA A 40 0.162 15.810 0.115 1.00 0.00 C ATOM 541 C ALA A 40 1.338 16.713 0.470 1.00 0.00 C ATOM 542 O ALA A 40 1.401 17.265 1.567 1.00 0.00 O ATOM 543 CB ALA A 40 0.501 14.356 0.411 1.00 0.00 C ATOM 0 H ALA A 40 -0.006 15.160 -1.871 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.687 16.105 0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.782 14.254 1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.368 13.731 0.206 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.332 14.040 -0.220 1.00 0.00 H new ATOM 549 N GLY A 41 2.271 16.857 -0.467 1.00 0.00 N ATOM 550 CA GLY A 41 3.434 17.693 -0.233 1.00 0.00 C ATOM 551 C GLY A 41 4.730 16.999 -0.604 1.00 0.00 C ATOM 552 O GLY A 41 4.787 16.253 -1.582 1.00 0.00 O ATOM 0 H GLY A 41 2.242 16.410 -1.383 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.339 18.612 -0.811 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.467 17.979 0.818 1.00 0.00 H new ATOM 556 N LEU A 42 5.776 17.245 0.179 1.00 0.00 N ATOM 557 CA LEU A 42 7.079 16.640 -0.073 1.00 0.00 C ATOM 558 C LEU A 42 7.453 15.671 1.043 1.00 0.00 C ATOM 559 O LEU A 42 8.622 15.323 1.211 1.00 0.00 O ATOM 560 CB LEU A 42 8.150 17.725 -0.202 1.00 0.00 C ATOM 561 CG LEU A 42 8.211 18.747 0.933 1.00 0.00 C ATOM 562 CD1 LEU A 42 7.189 19.851 0.712 1.00 0.00 C ATOM 563 CD2 LEU A 42 7.983 18.067 2.276 1.00 0.00 C ATOM 0 H LEU A 42 5.746 17.859 0.993 1.00 0.00 H new ATOM 0 HA LEU A 42 7.020 16.083 -1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.123 17.239 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.986 18.260 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 42 9.204 19.196 0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.247 20.569 1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.398 20.357 -0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.189 19.419 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.030 18.810 3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.002 17.591 2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.753 17.313 2.437 1.00 0.00 H new ATOM 575 N ALA A 43 6.453 15.236 1.802 1.00 0.00 N ATOM 576 CA ALA A 43 6.677 14.302 2.899 1.00 0.00 C ATOM 577 C ALA A 43 6.876 12.883 2.381 1.00 0.00 C ATOM 578 O ALA A 43 6.362 12.503 1.328 1.00 0.00 O ATOM 579 CB ALA A 43 5.513 14.350 3.879 1.00 0.00 C ATOM 0 H ALA A 43 5.480 15.515 1.678 1.00 0.00 H new ATOM 0 HA ALA A 43 7.588 14.602 3.418 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.693 13.648 4.693 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.419 15.358 4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.592 14.079 3.363 1.00 0.00 H new ATOM 585 N PRO A 44 7.642 12.079 3.134 1.00 0.00 N ATOM 586 CA PRO A 44 7.927 10.688 2.769 1.00 0.00 C ATOM 587 C PRO A 44 6.698 9.794 2.889 1.00 0.00 C ATOM 588 O PRO A 44 5.687 10.184 3.473 1.00 0.00 O ATOM 589 CB PRO A 44 8.994 10.267 3.781 1.00 0.00 C ATOM 590 CG PRO A 44 8.773 11.156 4.957 1.00 0.00 C ATOM 591 CD PRO A 44 8.287 12.465 4.401 1.00 0.00 C ATOM 0 HA PRO A 44 8.245 10.597 1.730 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.889 9.217 4.053 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.997 10.392 3.373 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.040 10.726 5.639 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.695 11.291 5.523 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.585 12.953 5.077 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.109 13.162 4.238 1.00 0.00 H new ATOM 599 N LEU A 45 6.790 8.591 2.332 1.00 0.00 N ATOM 600 CA LEU A 45 5.685 7.640 2.376 1.00 0.00 C ATOM 601 C LEU A 45 6.147 6.294 2.925 1.00 0.00 C ATOM 602 O LEU A 45 7.156 5.746 2.483 1.00 0.00 O ATOM 603 CB LEU A 45 5.087 7.456 0.979 1.00 0.00 C ATOM 604 CG LEU A 45 4.089 6.309 0.822 1.00 0.00 C ATOM 605 CD1 LEU A 45 2.712 6.729 1.312 1.00 0.00 C ATOM 606 CD2 LEU A 45 4.026 5.852 -0.628 1.00 0.00 C ATOM 0 H LEU A 45 7.619 8.251 1.844 1.00 0.00 H new ATOM 0 HA LEU A 45 4.920 8.040 3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.592 8.384 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.903 7.300 0.274 1.00 0.00 H new ATOM 0 HG LEU A 45 4.428 5.471 1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.015 5.900 1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.769 7.006 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.364 7.583 0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.311 5.035 -0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.711 6.684 -1.258 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.011 5.510 -0.945 1.00 0.00 H new ATOM 618 N GLU A 46 5.399 5.766 3.889 1.00 0.00 N ATOM 619 CA GLU A 46 5.733 4.483 4.497 1.00 0.00 C ATOM 620 C GLU A 46 4.617 3.467 4.268 1.00 0.00 C ATOM 621 O GLU A 46 3.436 3.813 4.272 1.00 0.00 O ATOM 622 CB GLU A 46 5.981 4.654 5.997 1.00 0.00 C ATOM 623 CG GLU A 46 6.995 3.673 6.561 1.00 0.00 C ATOM 624 CD GLU A 46 7.697 4.204 7.796 1.00 0.00 C ATOM 625 OE1 GLU A 46 8.423 5.213 7.678 1.00 0.00 O ATOM 626 OE2 GLU A 46 7.520 3.611 8.880 1.00 0.00 O ATOM 0 H GLU A 46 4.559 6.206 4.265 1.00 0.00 H new ATOM 0 HA GLU A 46 6.643 4.111 4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.327 5.670 6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.037 4.534 6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.492 2.738 6.808 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.737 3.444 5.796 1.00 0.00 H new ATOM 633 N VAL A 47 5.002 2.211 4.067 1.00 0.00 N ATOM 634 CA VAL A 47 4.036 1.142 3.837 1.00 0.00 C ATOM 635 C VAL A 47 4.412 -0.115 4.612 1.00 0.00 C ATOM 636 O VAL A 47 5.519 -0.634 4.473 1.00 0.00 O ATOM 637 CB VAL A 47 3.929 0.797 2.340 1.00 0.00 C ATOM 638 CG1 VAL A 47 3.019 -0.404 2.133 1.00 0.00 C ATOM 639 CG2 VAL A 47 3.429 1.997 1.550 1.00 0.00 C ATOM 0 H VAL A 47 5.976 1.908 4.059 1.00 0.00 H new ATOM 0 HA VAL A 47 3.071 1.506 4.189 1.00 0.00 H new ATOM 0 HB VAL A 47 4.922 0.538 1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.955 -0.633 1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.425 -1.264 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.024 -0.177 2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.360 1.734 0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.445 2.290 1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.124 2.828 1.672 1.00 0.00 H new ATOM 649 N ARG A 48 3.482 -0.600 5.428 1.00 0.00 N ATOM 650 CA ARG A 48 3.715 -1.798 6.226 1.00 0.00 C ATOM 651 C ARG A 48 2.785 -2.927 5.796 1.00 0.00 C ATOM 652 O ARG A 48 1.663 -2.687 5.351 1.00 0.00 O ATOM 653 CB ARG A 48 3.513 -1.493 7.712 1.00 0.00 C ATOM 654 CG ARG A 48 4.443 -2.274 8.626 1.00 0.00 C ATOM 655 CD ARG A 48 3.798 -3.568 9.101 1.00 0.00 C ATOM 656 NE ARG A 48 3.071 -3.388 10.354 1.00 0.00 N ATOM 657 CZ ARG A 48 3.645 -3.435 11.552 1.00 0.00 C ATOM 658 NH1 ARG A 48 4.948 -3.656 11.657 1.00 0.00 N ATOM 659 NH2 ARG A 48 2.915 -3.262 12.647 1.00 0.00 N ATOM 0 H ARG A 48 2.560 -0.182 5.554 1.00 0.00 H new ATOM 0 HA ARG A 48 4.744 -2.118 6.064 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.664 -0.427 7.879 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.481 -1.715 7.983 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.369 -2.500 8.098 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.709 -1.661 9.487 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.115 -3.935 8.335 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.567 -4.329 9.234 1.00 0.00 H new ATOM 0 HE ARG A 48 2.067 -3.217 10.308 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.512 -3.790 10.818 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.387 -3.692 12.577 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.912 -3.093 12.570 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.357 -3.298 13.566 1.00 0.00 H new ATOM 673 N VAL A 49 3.259 -4.162 5.933 1.00 0.00 N ATOM 674 CA VAL A 49 2.470 -5.330 5.561 1.00 0.00 C ATOM 675 C VAL A 49 2.321 -6.291 6.734 1.00 0.00 C ATOM 676 O VAL A 49 3.311 -6.789 7.273 1.00 0.00 O ATOM 677 CB VAL A 49 3.105 -6.080 4.374 1.00 0.00 C ATOM 678 CG1 VAL A 49 2.233 -7.256 3.959 1.00 0.00 C ATOM 679 CG2 VAL A 49 3.331 -5.134 3.205 1.00 0.00 C ATOM 0 H VAL A 49 4.186 -4.379 6.299 1.00 0.00 H new ATOM 0 HA VAL A 49 1.485 -4.966 5.268 1.00 0.00 H new ATOM 0 HB VAL A 49 4.074 -6.469 4.688 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.697 -7.774 3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.128 -7.945 4.797 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.249 -6.893 3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.780 -5.681 2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.377 -4.713 2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.998 -4.329 3.512 1.00 0.00 H new ATOM 689 N LEU A 50 1.078 -6.547 7.127 1.00 0.00 N ATOM 690 CA LEU A 50 0.799 -7.451 8.239 1.00 0.00 C ATOM 691 C LEU A 50 0.472 -8.852 7.733 1.00 0.00 C ATOM 692 O LEU A 50 0.378 -9.082 6.527 1.00 0.00 O ATOM 693 CB LEU A 50 -0.363 -6.915 9.077 1.00 0.00 C ATOM 694 CG LEU A 50 -0.029 -5.767 10.031 1.00 0.00 C ATOM 695 CD1 LEU A 50 1.274 -6.046 10.764 1.00 0.00 C ATOM 696 CD2 LEU A 50 0.053 -4.451 9.273 1.00 0.00 C ATOM 0 H LEU A 50 0.248 -6.142 6.693 1.00 0.00 H new ATOM 0 HA LEU A 50 1.692 -7.509 8.861 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.149 -6.581 8.400 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.774 -7.739 9.661 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.827 -5.688 10.769 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.496 -5.219 11.438 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.178 -6.967 11.339 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.083 -6.152 10.041 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.291 -3.645 9.967 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.831 -4.517 8.513 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.905 -4.246 8.795 1.00 0.00 H new ATOM 708 N GLY A 51 0.297 -9.786 8.663 1.00 0.00 N ATOM 709 CA GLY A 51 -0.020 -11.153 8.292 1.00 0.00 C ATOM 710 C GLY A 51 -1.130 -11.741 9.140 1.00 0.00 C ATOM 711 O GLY A 51 -1.421 -11.265 10.237 1.00 0.00 O ATOM 0 H GLY A 51 0.369 -9.620 9.667 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.314 -11.183 7.243 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.874 -11.769 8.390 1.00 0.00 H new ATOM 715 N PRO A 52 -1.773 -12.801 8.627 1.00 0.00 N ATOM 716 CA PRO A 52 -2.868 -13.477 9.327 1.00 0.00 C ATOM 717 C PRO A 52 -2.388 -14.240 10.557 1.00 0.00 C ATOM 718 O PRO A 52 -3.030 -14.213 11.607 1.00 0.00 O ATOM 719 CB PRO A 52 -3.417 -14.447 8.277 1.00 0.00 C ATOM 720 CG PRO A 52 -2.270 -14.699 7.361 1.00 0.00 C ATOM 721 CD PRO A 52 -1.479 -13.421 7.324 1.00 0.00 C ATOM 0 HA PRO A 52 -3.608 -12.770 9.702 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.768 -15.371 8.736 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.263 -14.015 7.743 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.658 -15.526 7.721 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.619 -14.971 6.365 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.413 -13.612 7.201 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.786 -12.782 6.496 1.00 0.00 H new ATOM 729 N ARG A 53 -1.254 -14.920 10.420 1.00 0.00 N ATOM 730 CA ARG A 53 -0.686 -15.690 11.519 1.00 0.00 C ATOM 731 C ARG A 53 0.249 -14.829 12.363 1.00 0.00 C ATOM 732 O ARG A 53 0.614 -15.199 13.477 1.00 0.00 O ATOM 733 CB ARG A 53 0.069 -16.907 10.981 1.00 0.00 C ATOM 734 CG ARG A 53 -0.591 -17.547 9.771 1.00 0.00 C ATOM 735 CD ARG A 53 0.100 -17.138 8.479 1.00 0.00 C ATOM 736 NE ARG A 53 -0.599 -17.646 7.301 1.00 0.00 N ATOM 737 CZ ARG A 53 -0.626 -18.929 6.958 1.00 0.00 C ATOM 738 NH1 ARG A 53 0.003 -19.830 7.701 1.00 0.00 N ATOM 739 NH2 ARG A 53 -1.283 -19.313 5.872 1.00 0.00 N ATOM 0 H ARG A 53 -0.710 -14.953 9.557 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.506 -16.030 12.151 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.083 -16.607 10.715 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.154 -17.651 11.773 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.564 -18.632 9.872 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.641 -17.256 9.731 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.157 -16.051 8.426 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.124 -17.511 8.482 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.094 -16.979 6.709 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.509 -19.538 8.537 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.019 -20.815 7.436 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.768 -18.623 5.299 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.303 -20.299 5.610 1.00 0.00 H new ATOM 753 N GLY A 54 0.633 -13.677 11.820 1.00 0.00 N ATOM 754 CA GLY A 54 1.523 -12.780 12.536 1.00 0.00 C ATOM 755 C GLY A 54 2.867 -12.631 11.852 1.00 0.00 C ATOM 756 O GLY A 54 3.900 -12.525 12.513 1.00 0.00 O ATOM 0 H GLY A 54 0.344 -13.349 10.898 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.053 -11.801 12.624 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.673 -13.154 13.549 1.00 0.00 H new ATOM 760 N LEU A 55 2.855 -12.625 10.523 1.00 0.00 N ATOM 761 CA LEU A 55 4.084 -12.488 9.747 1.00 0.00 C ATOM 762 C LEU A 55 4.258 -11.057 9.250 1.00 0.00 C ATOM 763 O LEU A 55 3.282 -10.371 8.948 1.00 0.00 O ATOM 764 CB LEU A 55 4.072 -13.455 8.562 1.00 0.00 C ATOM 765 CG LEU A 55 5.194 -13.276 7.538 1.00 0.00 C ATOM 766 CD1 LEU A 55 6.467 -13.954 8.019 1.00 0.00 C ATOM 767 CD2 LEU A 55 4.773 -13.826 6.183 1.00 0.00 C ATOM 0 H LEU A 55 2.009 -12.713 9.960 1.00 0.00 H new ATOM 0 HA LEU A 55 4.924 -12.731 10.397 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.119 -14.473 8.949 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.117 -13.354 8.046 1.00 0.00 H new ATOM 0 HG LEU A 55 5.393 -12.210 7.428 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.255 -13.817 7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.779 -13.513 8.966 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.282 -15.019 8.158 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.584 -13.690 5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.546 -14.888 6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.888 -13.295 5.834 1.00 0.00 H new ATOM 779 N VAL A 56 5.508 -10.613 9.165 1.00 0.00 N ATOM 780 CA VAL A 56 5.811 -9.265 8.700 1.00 0.00 C ATOM 781 C VAL A 56 6.609 -9.296 7.403 1.00 0.00 C ATOM 782 O VAL A 56 7.676 -9.907 7.333 1.00 0.00 O ATOM 783 CB VAL A 56 6.602 -8.471 9.758 1.00 0.00 C ATOM 784 CG1 VAL A 56 6.790 -7.030 9.313 1.00 0.00 C ATOM 785 CG2 VAL A 56 5.900 -8.535 11.106 1.00 0.00 C ATOM 0 H VAL A 56 6.327 -11.168 9.412 1.00 0.00 H new ATOM 0 HA VAL A 56 4.856 -8.770 8.523 1.00 0.00 H new ATOM 0 HB VAL A 56 7.588 -8.924 9.866 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.350 -6.485 10.072 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.339 -7.009 8.372 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.815 -6.562 9.175 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.472 -7.969 11.841 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.901 -8.108 11.017 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.823 -9.574 11.427 1.00 0.00 H new ATOM 795 N GLU A 57 6.086 -8.635 6.375 1.00 0.00 N ATOM 796 CA GLU A 57 6.750 -8.589 5.079 1.00 0.00 C ATOM 797 C GLU A 57 7.139 -7.157 4.718 1.00 0.00 C ATOM 798 O GLU A 57 6.399 -6.206 4.964 1.00 0.00 O ATOM 799 CB GLU A 57 5.841 -9.171 3.993 1.00 0.00 C ATOM 800 CG GLU A 57 5.277 -10.538 4.342 1.00 0.00 C ATOM 801 CD GLU A 57 4.038 -10.453 5.211 1.00 0.00 C ATOM 802 OE1 GLU A 57 3.798 -9.378 5.800 1.00 0.00 O ATOM 803 OE2 GLU A 57 3.308 -11.463 5.304 1.00 0.00 O ATOM 0 H GLU A 57 5.204 -8.124 6.415 1.00 0.00 H new ATOM 0 HA GLU A 57 7.657 -9.190 5.143 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.016 -8.482 3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.403 -9.246 3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.036 -11.073 3.423 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.040 -11.120 4.859 1.00 0.00 H new ATOM 810 N PRO A 58 8.329 -7.002 4.119 1.00 0.00 N ATOM 811 CA PRO A 58 8.845 -5.691 3.711 1.00 0.00 C ATOM 812 C PRO A 58 8.069 -5.102 2.539 1.00 0.00 C ATOM 813 O PRO A 58 7.161 -5.736 2.001 1.00 0.00 O ATOM 814 CB PRO A 58 10.288 -5.990 3.301 1.00 0.00 C ATOM 815 CG PRO A 58 10.282 -7.428 2.910 1.00 0.00 C ATOM 816 CD PRO A 58 9.264 -8.092 3.794 1.00 0.00 C ATOM 0 HA PRO A 58 8.758 -4.953 4.508 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.603 -5.356 2.472 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.979 -5.807 4.124 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.022 -7.545 1.858 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.267 -7.874 3.046 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.762 -8.913 3.282 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.722 -8.509 4.691 1.00 0.00 H new ATOM 824 N VAL A 59 8.431 -3.886 2.145 1.00 0.00 N ATOM 825 CA VAL A 59 7.770 -3.213 1.034 1.00 0.00 C ATOM 826 C VAL A 59 8.760 -2.380 0.228 1.00 0.00 C ATOM 827 O VAL A 59 9.837 -2.036 0.712 1.00 0.00 O ATOM 828 CB VAL A 59 6.633 -2.299 1.529 1.00 0.00 C ATOM 829 CG1 VAL A 59 5.933 -1.633 0.355 1.00 0.00 C ATOM 830 CG2 VAL A 59 5.643 -3.089 2.371 1.00 0.00 C ATOM 0 H VAL A 59 9.179 -3.346 2.579 1.00 0.00 H new ATOM 0 HA VAL A 59 7.351 -3.992 0.397 1.00 0.00 H new ATOM 0 HB VAL A 59 7.065 -1.518 2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.133 -0.991 0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.651 -1.032 -0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.512 -2.397 -0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.847 -2.428 2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.215 -3.893 1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.157 -3.514 3.234 1.00 0.00 H new ATOM 840 N ASN A 60 8.388 -2.060 -1.008 1.00 0.00 N ATOM 841 CA ASN A 60 9.244 -1.268 -1.882 1.00 0.00 C ATOM 842 C ASN A 60 8.702 0.150 -2.036 1.00 0.00 C ATOM 843 O ASN A 60 7.497 0.353 -2.180 1.00 0.00 O ATOM 844 CB ASN A 60 9.360 -1.933 -3.256 1.00 0.00 C ATOM 845 CG ASN A 60 10.176 -1.107 -4.232 1.00 0.00 C ATOM 846 OD1 ASN A 60 11.402 -1.060 -4.149 1.00 0.00 O ATOM 847 ND2 ASN A 60 9.495 -0.449 -5.162 1.00 0.00 N ATOM 0 H ASN A 60 7.500 -2.337 -1.426 1.00 0.00 H new ATOM 0 HA ASN A 60 10.233 -1.213 -1.427 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.819 -2.915 -3.143 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.362 -2.092 -3.665 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.989 0.125 -5.846 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.478 -0.517 -5.193 1.00 0.00 H new ATOM 854 N VAL A 61 9.601 1.128 -2.005 1.00 0.00 N ATOM 855 CA VAL A 61 9.214 2.527 -2.142 1.00 0.00 C ATOM 856 C VAL A 61 10.106 3.248 -3.147 1.00 0.00 C ATOM 857 O VAL A 61 11.301 3.432 -2.913 1.00 0.00 O ATOM 858 CB VAL A 61 9.281 3.263 -0.792 1.00 0.00 C ATOM 859 CG1 VAL A 61 8.952 4.738 -0.969 1.00 0.00 C ATOM 860 CG2 VAL A 61 8.343 2.617 0.215 1.00 0.00 C ATOM 0 H VAL A 61 10.603 0.977 -1.886 1.00 0.00 H new ATOM 0 HA VAL A 61 8.185 2.537 -2.501 1.00 0.00 H new ATOM 0 HB VAL A 61 10.298 3.186 -0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.005 5.241 -0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 61 9.669 5.191 -1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.946 4.840 -1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.404 3.151 1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.321 2.660 -0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.631 1.577 0.365 1.00 0.00 H new ATOM 870 N VAL A 62 9.518 3.655 -4.268 1.00 0.00 N ATOM 871 CA VAL A 62 10.258 4.358 -5.309 1.00 0.00 C ATOM 872 C VAL A 62 9.418 5.471 -5.924 1.00 0.00 C ATOM 873 O VAL A 62 8.305 5.234 -6.395 1.00 0.00 O ATOM 874 CB VAL A 62 10.711 3.395 -6.422 1.00 0.00 C ATOM 875 CG1 VAL A 62 11.295 4.170 -7.594 1.00 0.00 C ATOM 876 CG2 VAL A 62 11.718 2.392 -5.881 1.00 0.00 C ATOM 0 H VAL A 62 8.531 3.510 -4.478 1.00 0.00 H new ATOM 0 HA VAL A 62 11.138 4.792 -4.834 1.00 0.00 H new ATOM 0 HB VAL A 62 9.840 2.845 -6.779 1.00 0.00 H new ATOM 0 HG11 VAL A 62 11.610 3.473 -8.371 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.540 4.845 -7.997 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.155 4.748 -7.256 1.00 0.00 H new ATOM 0 HG21 VAL A 62 12.027 1.719 -6.681 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.589 2.922 -5.496 1.00 0.00 H new ATOM 0 HG23 VAL A 62 11.261 1.814 -5.078 1.00 0.00 H new ATOM 886 N ASP A 63 9.958 6.685 -5.918 1.00 0.00 N ATOM 887 CA ASP A 63 9.259 7.836 -6.478 1.00 0.00 C ATOM 888 C ASP A 63 9.290 7.801 -8.003 1.00 0.00 C ATOM 889 O ASP A 63 10.285 7.400 -8.604 1.00 0.00 O ATOM 890 CB ASP A 63 9.886 9.135 -5.972 1.00 0.00 C ATOM 891 CG ASP A 63 9.030 10.349 -6.277 1.00 0.00 C ATOM 892 OD1 ASP A 63 7.793 10.195 -6.368 1.00 0.00 O ATOM 893 OD2 ASP A 63 9.596 11.451 -6.426 1.00 0.00 O ATOM 0 H ASP A 63 10.878 6.897 -5.531 1.00 0.00 H new ATOM 0 HA ASP A 63 8.219 7.793 -6.153 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.041 9.065 -4.895 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.868 9.263 -6.428 1.00 0.00 H new ATOM 898 N ASN A 64 8.192 8.223 -8.621 1.00 0.00 N ATOM 899 CA ASN A 64 8.093 8.240 -10.077 1.00 0.00 C ATOM 900 C ASN A 64 8.793 9.464 -10.656 1.00 0.00 C ATOM 901 O ASN A 64 9.508 9.372 -11.652 1.00 0.00 O ATOM 902 CB ASN A 64 6.625 8.224 -10.508 1.00 0.00 C ATOM 903 CG ASN A 64 5.950 6.897 -10.216 1.00 0.00 C ATOM 904 OD1 ASN A 64 5.667 6.647 -8.943 1.00 0.00 O flip ATOM 905 ND2 ASN A 64 5.686 6.110 -11.124 1.00 0.00 N flip ATOM 0 H ASN A 64 7.359 8.558 -8.137 1.00 0.00 H new ATOM 0 HA ASN A 64 8.587 7.348 -10.461 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.090 9.022 -9.993 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.560 8.434 -11.576 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.923 6.345 -12.088 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.231 5.222 -10.913 1.00 0.00 H new ATOM 912 N GLY A 65 8.581 10.615 -10.023 1.00 0.00 N ATOM 913 CA GLY A 65 9.199 11.843 -10.490 1.00 0.00 C ATOM 914 C GLY A 65 8.180 12.859 -10.967 1.00 0.00 C ATOM 915 O GLY A 65 8.469 14.053 -11.034 1.00 0.00 O ATOM 0 H GLY A 65 7.993 10.719 -9.196 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.791 12.277 -9.685 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.887 11.613 -11.304 1.00 0.00 H new ATOM 919 N ASP A 66 6.985 12.384 -11.303 1.00 0.00 N ATOM 920 CA ASP A 66 5.920 13.259 -11.778 1.00 0.00 C ATOM 921 C ASP A 66 5.030 13.707 -10.623 1.00 0.00 C ATOM 922 O ASP A 66 4.598 14.858 -10.568 1.00 0.00 O ATOM 923 CB ASP A 66 5.081 12.547 -12.839 1.00 0.00 C ATOM 924 CG ASP A 66 5.666 12.687 -14.230 1.00 0.00 C ATOM 925 OD1 ASP A 66 6.221 13.764 -14.534 1.00 0.00 O ATOM 926 OD2 ASP A 66 5.569 11.721 -15.016 1.00 0.00 O ATOM 0 H ASP A 66 6.730 11.398 -11.255 1.00 0.00 H new ATOM 0 HA ASP A 66 6.379 14.142 -12.223 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.002 11.490 -12.586 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.070 12.953 -12.831 1.00 0.00 H new ATOM 931 N GLY A 67 4.756 12.789 -9.701 1.00 0.00 N ATOM 932 CA GLY A 67 3.918 13.107 -8.561 1.00 0.00 C ATOM 933 C GLY A 67 3.284 11.876 -7.946 1.00 0.00 C ATOM 934 O GLY A 67 2.154 11.927 -7.458 1.00 0.00 O ATOM 0 H GLY A 67 5.100 11.829 -9.724 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.515 13.619 -7.807 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.135 13.799 -8.871 1.00 0.00 H new ATOM 938 N THR A 68 4.012 10.764 -7.967 1.00 0.00 N ATOM 939 CA THR A 68 3.513 9.513 -7.409 1.00 0.00 C ATOM 940 C THR A 68 4.658 8.634 -6.919 1.00 0.00 C ATOM 941 O THR A 68 5.830 8.982 -7.070 1.00 0.00 O ATOM 942 CB THR A 68 2.685 8.727 -8.443 1.00 0.00 C ATOM 943 OG1 THR A 68 3.511 8.354 -9.551 1.00 0.00 O ATOM 944 CG2 THR A 68 1.509 9.557 -8.937 1.00 0.00 C ATOM 0 H THR A 68 4.949 10.704 -8.365 1.00 0.00 H new ATOM 0 HA THR A 68 2.874 9.776 -6.566 1.00 0.00 H new ATOM 0 HB THR A 68 2.299 7.829 -7.960 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.977 7.853 -10.203 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.939 8.982 -9.666 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.866 9.815 -8.095 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.879 10.470 -9.404 1.00 0.00 H new ATOM 952 N HIS A 69 4.312 7.494 -6.330 1.00 0.00 N ATOM 953 CA HIS A 69 5.313 6.563 -5.819 1.00 0.00 C ATOM 954 C HIS A 69 4.876 5.119 -6.042 1.00 0.00 C ATOM 955 O HIS A 69 3.756 4.737 -5.701 1.00 0.00 O ATOM 956 CB HIS A 69 5.556 6.811 -4.330 1.00 0.00 C ATOM 957 CG HIS A 69 5.924 8.227 -4.011 1.00 0.00 C ATOM 958 ND1 HIS A 69 5.214 9.373 -4.119 1.00 0.00 N flip ATOM 959 CD2 HIS A 69 7.160 8.589 -3.515 1.00 0.00 C flip ATOM 960 CE1 HIS A 69 6.023 10.397 -3.692 1.00 0.00 C flip ATOM 961 NE2 HIS A 69 7.193 9.898 -3.332 1.00 0.00 N flip ATOM 0 H HIS A 69 3.347 7.192 -6.195 1.00 0.00 H new ATOM 0 HA HIS A 69 6.242 6.731 -6.364 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.657 6.544 -3.774 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.352 6.151 -3.985 1.00 0.00 H new ATOM 0 HD2 HIS A 69 7.973 7.909 -3.309 1.00 0.00 H new ATOM 0 HE1 HIS A 69 5.748 11.441 -3.656 1.00 0.00 H new ATOM 0 HE2 HIS A 69 7.985 10.431 -2.974 1.00 0.00 H new ATOM 970 N THR A 70 5.767 4.318 -6.617 1.00 0.00 N ATOM 971 CA THR A 70 5.475 2.917 -6.888 1.00 0.00 C ATOM 972 C THR A 70 5.799 2.044 -5.680 1.00 0.00 C ATOM 973 O THR A 70 6.828 2.225 -5.030 1.00 0.00 O ATOM 974 CB THR A 70 6.264 2.402 -8.106 1.00 0.00 C ATOM 975 OG1 THR A 70 5.830 3.076 -9.293 1.00 0.00 O ATOM 976 CG2 THR A 70 6.083 0.901 -8.274 1.00 0.00 C ATOM 0 H THR A 70 6.699 4.617 -6.904 1.00 0.00 H new ATOM 0 HA THR A 70 4.408 2.854 -7.104 1.00 0.00 H new ATOM 0 HB THR A 70 7.321 2.608 -7.938 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.338 2.744 -10.062 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.650 0.561 -9.141 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.443 0.389 -7.382 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.027 0.676 -8.420 1.00 0.00 H new ATOM 984 N VAL A 71 4.914 1.096 -5.387 1.00 0.00 N ATOM 985 CA VAL A 71 5.107 0.194 -4.258 1.00 0.00 C ATOM 986 C VAL A 71 4.920 -1.260 -4.679 1.00 0.00 C ATOM 987 O VAL A 71 3.795 -1.736 -4.826 1.00 0.00 O ATOM 988 CB VAL A 71 4.131 0.514 -3.111 1.00 0.00 C ATOM 989 CG1 VAL A 71 4.444 -0.339 -1.890 1.00 0.00 C ATOM 990 CG2 VAL A 71 4.184 1.994 -2.764 1.00 0.00 C ATOM 0 H VAL A 71 4.057 0.933 -5.916 1.00 0.00 H new ATOM 0 HA VAL A 71 6.129 0.340 -3.907 1.00 0.00 H new ATOM 0 HB VAL A 71 3.120 0.277 -3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.744 -0.099 -1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.351 -1.394 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.461 -0.136 -1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.488 2.202 -1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.195 2.259 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.907 2.583 -3.639 1.00 0.00 H new ATOM 1000 N THR A 72 6.033 -1.962 -4.871 1.00 0.00 N ATOM 1001 CA THR A 72 5.994 -3.362 -5.275 1.00 0.00 C ATOM 1002 C THR A 72 6.098 -4.286 -4.068 1.00 0.00 C ATOM 1003 O THR A 72 6.803 -3.986 -3.104 1.00 0.00 O ATOM 1004 CB THR A 72 7.129 -3.694 -6.261 1.00 0.00 C ATOM 1005 OG1 THR A 72 8.396 -3.374 -5.676 1.00 0.00 O ATOM 1006 CG2 THR A 72 6.958 -2.926 -7.563 1.00 0.00 C ATOM 0 H THR A 72 6.973 -1.583 -4.753 1.00 0.00 H new ATOM 0 HA THR A 72 5.036 -3.521 -5.769 1.00 0.00 H new ATOM 0 HB THR A 72 7.089 -4.761 -6.479 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.112 -3.590 -6.309 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.772 -3.177 -8.243 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.006 -3.194 -8.021 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.973 -1.855 -7.359 1.00 0.00 H new ATOM 1014 N TYR A 73 5.392 -5.410 -4.127 1.00 0.00 N ATOM 1015 CA TYR A 73 5.404 -6.378 -3.036 1.00 0.00 C ATOM 1016 C TYR A 73 4.855 -7.725 -3.497 1.00 0.00 C ATOM 1017 O TYR A 73 4.279 -7.837 -4.580 1.00 0.00 O ATOM 1018 CB TYR A 73 4.583 -5.857 -1.856 1.00 0.00 C ATOM 1019 CG TYR A 73 3.110 -6.178 -1.955 1.00 0.00 C ATOM 1020 CD1 TYR A 73 2.605 -7.380 -1.473 1.00 0.00 C ATOM 1021 CD2 TYR A 73 2.220 -5.278 -2.529 1.00 0.00 C ATOM 1022 CE1 TYR A 73 1.260 -7.678 -1.563 1.00 0.00 C ATOM 1023 CE2 TYR A 73 0.872 -5.566 -2.621 1.00 0.00 C ATOM 1024 CZ TYR A 73 0.397 -6.767 -2.137 1.00 0.00 C ATOM 1025 OH TYR A 73 -0.946 -7.059 -2.227 1.00 0.00 O ATOM 0 H TYR A 73 4.805 -5.673 -4.918 1.00 0.00 H new ATOM 0 HA TYR A 73 6.437 -6.517 -2.718 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.978 -6.283 -0.933 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.707 -4.776 -1.787 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.277 -8.094 -1.020 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.589 -4.337 -2.910 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.886 -8.618 -1.186 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.194 -4.855 -3.069 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.407 -6.334 -2.699 1.00 0.00 H new ATOM 1035 N THR A 74 5.038 -8.746 -2.667 1.00 0.00 N ATOM 1036 CA THR A 74 4.563 -10.086 -2.987 1.00 0.00 C ATOM 1037 C THR A 74 4.119 -10.827 -1.731 1.00 0.00 C ATOM 1038 O THR A 74 4.914 -11.111 -0.834 1.00 0.00 O ATOM 1039 CB THR A 74 5.650 -10.913 -3.700 1.00 0.00 C ATOM 1040 OG1 THR A 74 6.052 -10.256 -4.907 1.00 0.00 O ATOM 1041 CG2 THR A 74 5.143 -12.310 -4.021 1.00 0.00 C ATOM 0 H THR A 74 5.512 -8.671 -1.767 1.00 0.00 H new ATOM 0 HA THR A 74 3.711 -9.967 -3.656 1.00 0.00 H new ATOM 0 HB THR A 74 6.507 -11.000 -3.032 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.744 -10.787 -5.354 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.928 -12.875 -4.524 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.866 -12.818 -3.097 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.272 -12.240 -4.672 1.00 0.00 H new ATOM 1049 N PRO A 75 2.819 -11.150 -1.662 1.00 0.00 N ATOM 1050 CA PRO A 75 2.241 -11.864 -0.520 1.00 0.00 C ATOM 1051 C PRO A 75 2.706 -13.314 -0.447 1.00 0.00 C ATOM 1052 O PRO A 75 2.113 -14.199 -1.065 1.00 0.00 O ATOM 1053 CB PRO A 75 0.735 -11.798 -0.786 1.00 0.00 C ATOM 1054 CG PRO A 75 0.618 -11.647 -2.263 1.00 0.00 C ATOM 1055 CD PRO A 75 1.814 -10.845 -2.694 1.00 0.00 C ATOM 0 HA PRO A 75 2.540 -11.422 0.431 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.232 -12.701 -0.439 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.277 -10.957 -0.265 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.603 -12.620 -2.755 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.309 -11.140 -2.531 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.157 -11.136 -3.687 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.590 -9.779 -2.734 1.00 0.00 H new ATOM 1063 N SER A 76 3.770 -13.552 0.314 1.00 0.00 N ATOM 1064 CA SER A 76 4.316 -14.896 0.464 1.00 0.00 C ATOM 1065 C SER A 76 3.204 -15.940 0.447 1.00 0.00 C ATOM 1066 O SER A 76 3.195 -16.837 -0.397 1.00 0.00 O ATOM 1067 CB SER A 76 5.110 -15.003 1.769 1.00 0.00 C ATOM 1068 OG SER A 76 5.787 -16.245 1.853 1.00 0.00 O ATOM 0 H SER A 76 4.270 -12.832 0.836 1.00 0.00 H new ATOM 0 HA SER A 76 4.982 -15.087 -0.377 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.831 -14.188 1.828 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.436 -14.894 2.619 1.00 0.00 H new ATOM 0 HG SER A 76 6.288 -16.288 2.694 1.00 0.00 H new ATOM 1074 N GLN A 77 2.270 -15.817 1.383 1.00 0.00 N ATOM 1075 CA GLN A 77 1.153 -16.750 1.476 1.00 0.00 C ATOM 1076 C GLN A 77 -0.179 -16.020 1.339 1.00 0.00 C ATOM 1077 O GLN A 77 -0.231 -14.791 1.381 1.00 0.00 O ATOM 1078 CB GLN A 77 1.200 -17.505 2.805 1.00 0.00 C ATOM 1079 CG GLN A 77 1.224 -16.594 4.022 1.00 0.00 C ATOM 1080 CD GLN A 77 1.864 -17.250 5.229 1.00 0.00 C ATOM 1081 OE1 GLN A 77 2.264 -18.413 5.179 1.00 0.00 O ATOM 1082 NE2 GLN A 77 1.965 -16.505 6.324 1.00 0.00 N ATOM 0 H GLN A 77 2.264 -15.080 2.088 1.00 0.00 H new ATOM 0 HA GLN A 77 1.241 -17.465 0.658 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.333 -18.162 2.871 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.085 -18.142 2.821 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.768 -15.682 3.778 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.204 -16.300 4.271 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.620 -15.545 6.321 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.387 -16.893 7.168 1.00 0.00 H new ATOM 1091 N GLU A 78 -1.254 -16.785 1.176 1.00 0.00 N ATOM 1092 CA GLU A 78 -2.586 -16.210 1.032 1.00 0.00 C ATOM 1093 C GLU A 78 -3.225 -15.970 2.398 1.00 0.00 C ATOM 1094 O GLU A 78 -2.708 -16.410 3.424 1.00 0.00 O ATOM 1095 CB GLU A 78 -3.477 -17.132 0.196 1.00 0.00 C ATOM 1096 CG GLU A 78 -3.854 -18.421 0.904 1.00 0.00 C ATOM 1097 CD GLU A 78 -4.932 -18.218 1.950 1.00 0.00 C ATOM 1098 OE1 GLU A 78 -5.964 -17.592 1.627 1.00 0.00 O ATOM 1099 OE2 GLU A 78 -4.745 -18.685 3.094 1.00 0.00 O ATOM 0 H GLU A 78 -1.228 -17.804 1.140 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.487 -15.252 0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.387 -16.596 -0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.962 -17.375 -0.734 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.199 -19.148 0.168 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.968 -18.843 1.378 1.00 0.00 H new ATOM 1106 N GLY A 79 -4.353 -15.266 2.401 1.00 0.00 N ATOM 1107 CA GLY A 79 -5.044 -14.978 3.645 1.00 0.00 C ATOM 1108 C GLY A 79 -5.355 -13.504 3.807 1.00 0.00 C ATOM 1109 O GLY A 79 -5.006 -12.677 2.964 1.00 0.00 O ATOM 0 H GLY A 79 -4.801 -14.890 1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.972 -15.548 3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.432 -15.311 4.483 1.00 0.00 H new ATOM 1113 N PRO A 80 -6.028 -13.155 4.914 1.00 0.00 N ATOM 1114 CA PRO A 80 -6.401 -11.769 5.210 1.00 0.00 C ATOM 1115 C PRO A 80 -5.193 -10.904 5.553 1.00 0.00 C ATOM 1116 O PRO A 80 -4.766 -10.848 6.707 1.00 0.00 O ATOM 1117 CB PRO A 80 -7.326 -11.902 6.422 1.00 0.00 C ATOM 1118 CG PRO A 80 -6.915 -13.177 7.074 1.00 0.00 C ATOM 1119 CD PRO A 80 -6.475 -14.088 5.962 1.00 0.00 C ATOM 0 HA PRO A 80 -6.866 -11.280 4.354 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.214 -11.056 7.100 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.373 -11.931 6.120 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.105 -13.009 7.784 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.743 -13.614 7.632 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.670 -14.751 6.280 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.291 -14.722 5.615 1.00 0.00 H new ATOM 1127 N TYR A 81 -4.648 -10.231 4.547 1.00 0.00 N ATOM 1128 CA TYR A 81 -3.488 -9.370 4.743 1.00 0.00 C ATOM 1129 C TYR A 81 -3.915 -7.922 4.966 1.00 0.00 C ATOM 1130 O TYR A 81 -5.086 -7.579 4.812 1.00 0.00 O ATOM 1131 CB TYR A 81 -2.552 -9.457 3.536 1.00 0.00 C ATOM 1132 CG TYR A 81 -1.490 -10.525 3.668 1.00 0.00 C ATOM 1133 CD1 TYR A 81 -1.838 -11.859 3.847 1.00 0.00 C ATOM 1134 CD2 TYR A 81 -0.140 -10.202 3.615 1.00 0.00 C ATOM 1135 CE1 TYR A 81 -0.872 -12.838 3.969 1.00 0.00 C ATOM 1136 CE2 TYR A 81 0.833 -11.175 3.735 1.00 0.00 C ATOM 1137 CZ TYR A 81 0.462 -12.492 3.912 1.00 0.00 C ATOM 1138 OH TYR A 81 1.428 -13.464 4.033 1.00 0.00 O ATOM 0 H TYR A 81 -4.991 -10.265 3.587 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.958 -9.714 5.631 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.144 -9.653 2.642 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.068 -8.491 3.392 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.881 -12.134 3.891 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.154 -9.172 3.478 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.160 -13.870 4.108 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.878 -10.906 3.691 1.00 0.00 H new ATOM 0 HH TYR A 81 2.234 -13.076 4.434 1.00 0.00 H new ATOM 1148 N MET A 82 -2.955 -7.078 5.328 1.00 0.00 N ATOM 1149 CA MET A 82 -3.230 -5.667 5.570 1.00 0.00 C ATOM 1150 C MET A 82 -2.030 -4.805 5.191 1.00 0.00 C ATOM 1151 O MET A 82 -0.938 -4.968 5.738 1.00 0.00 O ATOM 1152 CB MET A 82 -3.591 -5.440 7.040 1.00 0.00 C ATOM 1153 CG MET A 82 -4.087 -4.035 7.335 1.00 0.00 C ATOM 1154 SD MET A 82 -5.230 -3.979 8.728 1.00 0.00 S ATOM 1155 CE MET A 82 -4.117 -3.542 10.062 1.00 0.00 C ATOM 0 H MET A 82 -1.980 -7.347 5.460 1.00 0.00 H new ATOM 0 HA MET A 82 -4.075 -5.376 4.946 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.359 -6.156 7.331 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.715 -5.644 7.656 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.234 -3.389 7.544 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.580 -3.635 6.449 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.677 -3.469 10.994 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.348 -4.308 10.160 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.648 -2.583 9.845 1.00 0.00 H new ATOM 1165 N VAL A 83 -2.238 -3.888 4.252 1.00 0.00 N ATOM 1166 CA VAL A 83 -1.172 -3.001 3.801 1.00 0.00 C ATOM 1167 C VAL A 83 -1.356 -1.594 4.359 1.00 0.00 C ATOM 1168 O VAL A 83 -2.102 -0.787 3.804 1.00 0.00 O ATOM 1169 CB VAL A 83 -1.117 -2.928 2.263 1.00 0.00 C ATOM 1170 CG1 VAL A 83 -0.047 -1.944 1.813 1.00 0.00 C ATOM 1171 CG2 VAL A 83 -0.868 -4.308 1.673 1.00 0.00 C ATOM 0 H VAL A 83 -3.135 -3.740 3.789 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.235 -3.417 4.172 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.080 -2.571 1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.023 -1.906 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.275 -0.953 2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.925 -2.267 2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.832 -4.238 0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.081 -4.696 2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.674 -4.980 1.967 1.00 0.00 H new ATOM 1181 N SER A 84 -0.669 -1.307 5.460 1.00 0.00 N ATOM 1182 CA SER A 84 -0.758 0.001 6.097 1.00 0.00 C ATOM 1183 C SER A 84 0.092 1.027 5.353 1.00 0.00 C ATOM 1184 O SER A 84 1.107 0.685 4.746 1.00 0.00 O ATOM 1185 CB SER A 84 -0.309 -0.086 7.557 1.00 0.00 C ATOM 1186 OG SER A 84 -0.281 1.196 8.160 1.00 0.00 O ATOM 0 H SER A 84 -0.045 -1.963 5.929 1.00 0.00 H new ATOM 0 HA SER A 84 -1.799 0.323 6.063 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.986 -0.737 8.111 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.682 -0.538 7.610 1.00 0.00 H new ATOM 0 HG SER A 84 -1.034 1.730 7.829 1.00 0.00 H new ATOM 1192 N VAL A 85 -0.330 2.287 5.405 1.00 0.00 N ATOM 1193 CA VAL A 85 0.392 3.363 4.736 1.00 0.00 C ATOM 1194 C VAL A 85 0.405 4.627 5.588 1.00 0.00 C ATOM 1195 O VAL A 85 -0.623 5.036 6.128 1.00 0.00 O ATOM 1196 CB VAL A 85 -0.228 3.688 3.365 1.00 0.00 C ATOM 1197 CG1 VAL A 85 0.503 4.850 2.710 1.00 0.00 C ATOM 1198 CG2 VAL A 85 -0.207 2.460 2.466 1.00 0.00 C ATOM 0 H VAL A 85 -1.168 2.587 5.903 1.00 0.00 H new ATOM 0 HA VAL A 85 1.415 3.015 4.590 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.267 3.982 3.516 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.051 5.065 1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.431 5.731 3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.552 4.588 2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.649 2.708 1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.823 2.133 2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.780 1.658 2.932 1.00 0.00 H new ATOM 1208 N LYS A 86 1.576 5.242 5.705 1.00 0.00 N ATOM 1209 CA LYS A 86 1.725 6.463 6.490 1.00 0.00 C ATOM 1210 C LYS A 86 2.336 7.580 5.649 1.00 0.00 C ATOM 1211 O LYS A 86 2.803 7.345 4.535 1.00 0.00 O ATOM 1212 CB LYS A 86 2.599 6.199 7.719 1.00 0.00 C ATOM 1213 CG LYS A 86 2.235 7.059 8.918 1.00 0.00 C ATOM 1214 CD LYS A 86 2.882 6.539 10.192 1.00 0.00 C ATOM 1215 CE LYS A 86 2.257 7.166 11.429 1.00 0.00 C ATOM 1216 NZ LYS A 86 2.998 6.802 12.669 1.00 0.00 N ATOM 0 H LYS A 86 2.437 4.915 5.266 1.00 0.00 H new ATOM 0 HA LYS A 86 0.734 6.779 6.816 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.514 5.148 7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.642 6.376 7.458 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.553 8.086 8.740 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.152 7.077 9.039 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.776 5.455 10.239 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.950 6.755 10.173 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.243 8.250 11.319 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.220 6.841 11.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.541 7.248 13.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.990 5.769 12.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.981 7.134 12.596 1.00 0.00 H new ATOM 1230 N TYR A 87 2.330 8.792 6.191 1.00 0.00 N ATOM 1231 CA TYR A 87 2.882 9.946 5.490 1.00 0.00 C ATOM 1232 C TYR A 87 3.264 11.048 6.473 1.00 0.00 C ATOM 1233 O TYR A 87 2.403 11.651 7.112 1.00 0.00 O ATOM 1234 CB TYR A 87 1.873 10.481 4.472 1.00 0.00 C ATOM 1235 CG TYR A 87 2.513 11.215 3.315 1.00 0.00 C ATOM 1236 CD1 TYR A 87 3.256 10.533 2.360 1.00 0.00 C ATOM 1237 CD2 TYR A 87 2.374 12.590 3.179 1.00 0.00 C ATOM 1238 CE1 TYR A 87 3.843 11.200 1.301 1.00 0.00 C ATOM 1239 CE2 TYR A 87 2.956 13.266 2.123 1.00 0.00 C ATOM 1240 CZ TYR A 87 3.690 12.566 1.187 1.00 0.00 C ATOM 1241 OH TYR A 87 4.271 13.235 0.135 1.00 0.00 O ATOM 0 H TYR A 87 1.949 9.002 7.114 1.00 0.00 H new ATOM 0 HA TYR A 87 3.782 9.625 4.965 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.285 9.649 4.084 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.179 11.152 4.978 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.377 9.463 2.446 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.801 13.141 3.911 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.418 10.655 0.567 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.837 14.335 2.031 1.00 0.00 H new ATOM 0 HH TYR A 87 5.233 13.047 0.119 1.00 0.00 H new ATOM 1251 N ALA A 88 4.562 11.306 6.587 1.00 0.00 N ATOM 1252 CA ALA A 88 5.060 12.337 7.489 1.00 0.00 C ATOM 1253 C ALA A 88 4.657 12.048 8.930 1.00 0.00 C ATOM 1254 O ALA A 88 4.373 12.965 9.701 1.00 0.00 O ATOM 1255 CB ALA A 88 4.550 13.704 7.060 1.00 0.00 C ATOM 0 H ALA A 88 5.288 10.815 6.066 1.00 0.00 H new ATOM 0 HA ALA A 88 6.149 12.335 7.437 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.930 14.465 7.742 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.894 13.920 6.048 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.460 13.709 7.081 1.00 0.00 H new ATOM 1261 N ASP A 89 4.632 10.768 9.287 1.00 0.00 N ATOM 1262 CA ASP A 89 4.262 10.358 10.637 1.00 0.00 C ATOM 1263 C ASP A 89 2.769 10.560 10.877 1.00 0.00 C ATOM 1264 O ASP A 89 2.341 10.826 11.999 1.00 0.00 O ATOM 1265 CB ASP A 89 5.068 11.147 11.671 1.00 0.00 C ATOM 1266 CG ASP A 89 6.522 11.306 11.272 1.00 0.00 C ATOM 1267 OD1 ASP A 89 7.125 10.312 10.818 1.00 0.00 O ATOM 1268 OD2 ASP A 89 7.058 12.426 11.416 1.00 0.00 O ATOM 0 H ASP A 89 4.863 9.997 8.661 1.00 0.00 H new ATOM 0 HA ASP A 89 4.488 9.297 10.743 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.620 12.132 11.802 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.012 10.641 12.635 1.00 0.00 H new ATOM 1273 N GLU A 90 1.982 10.433 9.814 1.00 0.00 N ATOM 1274 CA GLU A 90 0.536 10.603 9.908 1.00 0.00 C ATOM 1275 C GLU A 90 -0.191 9.559 9.067 1.00 0.00 C ATOM 1276 O GLU A 90 -0.216 9.643 7.840 1.00 0.00 O ATOM 1277 CB GLU A 90 0.136 12.008 9.456 1.00 0.00 C ATOM 1278 CG GLU A 90 0.631 13.109 10.377 1.00 0.00 C ATOM 1279 CD GLU A 90 -0.243 14.348 10.330 1.00 0.00 C ATOM 1280 OE1 GLU A 90 -1.413 14.265 10.757 1.00 0.00 O ATOM 1281 OE2 GLU A 90 0.244 15.400 9.866 1.00 0.00 O ATOM 0 H GLU A 90 2.321 10.213 8.877 1.00 0.00 H new ATOM 0 HA GLU A 90 0.247 10.468 10.950 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.526 12.182 8.453 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.951 12.063 9.389 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.667 12.733 11.400 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.650 13.378 10.100 1.00 0.00 H new ATOM 1288 N GLU A 91 -0.781 8.574 9.737 1.00 0.00 N ATOM 1289 CA GLU A 91 -1.508 7.512 9.051 1.00 0.00 C ATOM 1290 C GLU A 91 -2.612 8.089 8.170 1.00 0.00 C ATOM 1291 O GLU A 91 -3.592 8.645 8.667 1.00 0.00 O ATOM 1292 CB GLU A 91 -2.109 6.537 10.066 1.00 0.00 C ATOM 1293 CG GLU A 91 -1.225 5.335 10.353 1.00 0.00 C ATOM 1294 CD GLU A 91 -1.559 4.665 11.672 1.00 0.00 C ATOM 1295 OE1 GLU A 91 -1.009 5.088 12.708 1.00 0.00 O ATOM 1296 OE2 GLU A 91 -2.374 3.718 11.664 1.00 0.00 O ATOM 0 H GLU A 91 -0.770 8.489 10.753 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.803 6.976 8.416 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.299 7.068 10.999 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.073 6.188 9.695 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.330 4.611 9.545 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.182 5.651 10.364 1.00 0.00 H new ATOM 1303 N ILE A 92 -2.444 7.955 6.859 1.00 0.00 N ATOM 1304 CA ILE A 92 -3.426 8.463 5.908 1.00 0.00 C ATOM 1305 C ILE A 92 -4.832 7.994 6.266 1.00 0.00 C ATOM 1306 O ILE A 92 -5.026 6.945 6.880 1.00 0.00 O ATOM 1307 CB ILE A 92 -3.099 8.019 4.469 1.00 0.00 C ATOM 1308 CG1 ILE A 92 -3.150 6.493 4.361 1.00 0.00 C ATOM 1309 CG2 ILE A 92 -1.731 8.540 4.053 1.00 0.00 C ATOM 1310 CD1 ILE A 92 -3.144 5.989 2.934 1.00 0.00 C ATOM 0 H ILE A 92 -1.638 7.499 6.431 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.384 9.551 5.962 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.846 8.438 3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.296 6.070 4.891 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.048 6.131 4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.514 8.219 3.034 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.727 9.629 4.098 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.971 8.146 4.728 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.182 4.900 2.933 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.012 6.383 2.405 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.234 6.321 2.435 1.00 0.00 H new ATOM 1322 N PRO A 93 -5.839 8.788 5.872 1.00 0.00 N ATOM 1323 CA PRO A 93 -7.245 8.473 6.139 1.00 0.00 C ATOM 1324 C PRO A 93 -7.737 7.282 5.324 1.00 0.00 C ATOM 1325 O PRO A 93 -8.916 6.930 5.370 1.00 0.00 O ATOM 1326 CB PRO A 93 -7.979 9.749 5.716 1.00 0.00 C ATOM 1327 CG PRO A 93 -7.085 10.387 4.711 1.00 0.00 C ATOM 1328 CD PRO A 93 -5.681 10.054 5.136 1.00 0.00 C ATOM 0 HA PRO A 93 -7.410 8.193 7.179 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.955 9.520 5.288 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.150 10.408 6.568 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.290 10.008 3.710 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.238 11.466 4.681 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.018 9.940 4.278 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.256 10.835 5.766 1.00 0.00 H new ATOM 1336 N ARG A 94 -6.826 6.663 4.580 1.00 0.00 N ATOM 1337 CA ARG A 94 -7.168 5.511 3.754 1.00 0.00 C ATOM 1338 C ARG A 94 -6.455 4.257 4.251 1.00 0.00 C ATOM 1339 O ARG A 94 -6.631 3.170 3.699 1.00 0.00 O ATOM 1340 CB ARG A 94 -6.800 5.775 2.294 1.00 0.00 C ATOM 1341 CG ARG A 94 -7.648 6.853 1.638 1.00 0.00 C ATOM 1342 CD ARG A 94 -9.048 6.350 1.328 1.00 0.00 C ATOM 1343 NE ARG A 94 -9.078 5.520 0.126 1.00 0.00 N ATOM 1344 CZ ARG A 94 -10.136 4.811 -0.251 1.00 0.00 C ATOM 1345 NH1 ARG A 94 -11.245 4.830 0.475 1.00 0.00 N ATOM 1346 NH2 ARG A 94 -10.086 4.081 -1.358 1.00 0.00 N ATOM 0 H ARG A 94 -5.845 6.940 4.532 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.244 5.350 3.826 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.751 6.066 2.239 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.904 4.849 1.729 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.709 7.720 2.296 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.168 7.185 0.718 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.422 5.775 2.175 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.718 7.200 1.198 1.00 0.00 H new ATOM 0 HE ARG A 94 -8.241 5.483 -0.455 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.288 5.390 1.326 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.056 4.284 0.182 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.235 4.064 -1.920 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.899 3.537 -1.647 1.00 0.00 H new ATOM 1360 N SER A 95 -5.649 4.414 5.297 1.00 0.00 N ATOM 1361 CA SER A 95 -4.906 3.296 5.864 1.00 0.00 C ATOM 1362 C SER A 95 -5.400 2.973 7.271 1.00 0.00 C ATOM 1363 O SER A 95 -5.937 3.826 7.978 1.00 0.00 O ATOM 1364 CB SER A 95 -3.409 3.614 5.898 1.00 0.00 C ATOM 1365 OG SER A 95 -2.783 3.004 7.012 1.00 0.00 O ATOM 0 H SER A 95 -5.495 5.305 5.768 1.00 0.00 H new ATOM 0 HA SER A 95 -5.071 2.425 5.230 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.939 3.267 4.978 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.264 4.693 5.942 1.00 0.00 H new ATOM 0 HG SER A 95 -2.031 3.558 7.308 1.00 0.00 H new ATOM 1371 N PRO A 96 -5.216 1.712 7.688 1.00 0.00 N ATOM 1372 CA PRO A 96 -4.578 0.688 6.854 1.00 0.00 C ATOM 1373 C PRO A 96 -5.453 0.274 5.675 1.00 0.00 C ATOM 1374 O PRO A 96 -6.563 0.780 5.504 1.00 0.00 O ATOM 1375 CB PRO A 96 -4.390 -0.487 7.817 1.00 0.00 C ATOM 1376 CG PRO A 96 -5.442 -0.299 8.855 1.00 0.00 C ATOM 1377 CD PRO A 96 -5.616 1.188 9.005 1.00 0.00 C ATOM 0 HA PRO A 96 -3.649 1.045 6.409 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.506 -1.442 7.304 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.393 -0.482 8.258 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.376 -0.773 8.554 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -5.144 -0.754 9.799 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.646 1.450 9.246 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.991 1.587 9.803 1.00 0.00 H new ATOM 1385 N PHE A 97 -4.946 -0.647 4.863 1.00 0.00 N ATOM 1386 CA PHE A 97 -5.681 -1.128 3.699 1.00 0.00 C ATOM 1387 C PHE A 97 -5.906 -2.635 3.782 1.00 0.00 C ATOM 1388 O PHE A 97 -4.956 -3.416 3.833 1.00 0.00 O ATOM 1389 CB PHE A 97 -4.923 -0.785 2.414 1.00 0.00 C ATOM 1390 CG PHE A 97 -4.918 0.682 2.094 1.00 0.00 C ATOM 1391 CD1 PHE A 97 -5.980 1.261 1.418 1.00 0.00 C ATOM 1392 CD2 PHE A 97 -3.852 1.483 2.471 1.00 0.00 C ATOM 1393 CE1 PHE A 97 -5.979 2.611 1.122 1.00 0.00 C ATOM 1394 CE2 PHE A 97 -3.846 2.834 2.179 1.00 0.00 C ATOM 1395 CZ PHE A 97 -4.910 3.398 1.502 1.00 0.00 C ATOM 0 H PHE A 97 -4.029 -1.075 4.989 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.652 -0.633 3.684 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.894 -1.132 2.505 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.370 -1.329 1.582 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.819 0.650 1.119 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.017 1.047 2.999 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.813 3.050 0.594 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.010 3.448 2.480 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.906 4.453 1.270 1.00 0.00 H new ATOM 1405 N LYS A 98 -7.173 -3.037 3.798 1.00 0.00 N ATOM 1406 CA LYS A 98 -7.527 -4.450 3.876 1.00 0.00 C ATOM 1407 C LYS A 98 -7.308 -5.139 2.533 1.00 0.00 C ATOM 1408 O LYS A 98 -7.962 -4.813 1.542 1.00 0.00 O ATOM 1409 CB LYS A 98 -8.985 -4.608 4.311 1.00 0.00 C ATOM 1410 CG LYS A 98 -9.981 -4.020 3.326 1.00 0.00 C ATOM 1411 CD LYS A 98 -11.258 -3.579 4.021 1.00 0.00 C ATOM 1412 CE LYS A 98 -12.244 -4.731 4.159 1.00 0.00 C ATOM 1413 NZ LYS A 98 -11.977 -5.545 5.377 1.00 0.00 N ATOM 0 H LYS A 98 -7.972 -2.404 3.758 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.881 -4.921 4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.202 -5.668 4.446 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.120 -4.129 5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.530 -3.168 2.816 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.218 -4.760 2.562 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -11.018 -3.183 5.008 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -11.720 -2.769 3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -13.260 -4.337 4.201 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.185 -5.368 3.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.838 -6.539 5.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.121 -5.192 5.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.786 -5.473 6.027 1.00 0.00 H new ATOM 1427 N VAL A 99 -6.385 -6.096 2.508 1.00 0.00 N ATOM 1428 CA VAL A 99 -6.082 -6.834 1.287 1.00 0.00 C ATOM 1429 C VAL A 99 -6.110 -8.338 1.533 1.00 0.00 C ATOM 1430 O VAL A 99 -5.170 -8.906 2.090 1.00 0.00 O ATOM 1431 CB VAL A 99 -4.703 -6.442 0.722 1.00 0.00 C ATOM 1432 CG1 VAL A 99 -4.378 -7.270 -0.511 1.00 0.00 C ATOM 1433 CG2 VAL A 99 -4.661 -4.955 0.404 1.00 0.00 C ATOM 0 H VAL A 99 -5.834 -6.378 3.319 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.851 -6.574 0.560 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.946 -6.649 1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.401 -6.980 -0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.364 -8.327 -0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.136 -7.097 -1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.680 -4.696 0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.426 -4.719 -0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.846 -4.383 1.313 1.00 0.00 H new ATOM 1443 N LYS A 100 -7.195 -8.980 1.114 1.00 0.00 N ATOM 1444 CA LYS A 100 -7.347 -10.420 1.286 1.00 0.00 C ATOM 1445 C LYS A 100 -6.682 -11.178 0.142 1.00 0.00 C ATOM 1446 O LYS A 100 -7.230 -11.268 -0.957 1.00 0.00 O ATOM 1447 CB LYS A 100 -8.829 -10.792 1.367 1.00 0.00 C ATOM 1448 CG LYS A 100 -9.079 -12.176 1.941 1.00 0.00 C ATOM 1449 CD LYS A 100 -10.535 -12.586 1.793 1.00 0.00 C ATOM 1450 CE LYS A 100 -10.685 -14.099 1.744 1.00 0.00 C ATOM 1451 NZ LYS A 100 -10.765 -14.692 3.108 1.00 0.00 N ATOM 0 H LYS A 100 -7.983 -8.525 0.652 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.857 -10.703 2.218 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.347 -10.055 1.980 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.263 -10.738 0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.442 -12.901 1.435 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.802 -12.189 2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.113 -12.189 2.628 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.947 -12.149 0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -11.583 -14.357 1.182 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.839 -14.531 1.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.867 -15.724 3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.897 -14.467 3.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.587 -14.299 3.610 1.00 0.00 H new ATOM 1465 N VAL A 101 -5.500 -11.724 0.407 1.00 0.00 N ATOM 1466 CA VAL A 101 -4.763 -12.476 -0.600 1.00 0.00 C ATOM 1467 C VAL A 101 -5.469 -13.785 -0.936 1.00 0.00 C ATOM 1468 O VAL A 101 -6.109 -14.396 -0.077 1.00 0.00 O ATOM 1469 CB VAL A 101 -3.328 -12.786 -0.132 1.00 0.00 C ATOM 1470 CG1 VAL A 101 -2.550 -13.498 -1.229 1.00 0.00 C ATOM 1471 CG2 VAL A 101 -2.620 -11.508 0.292 1.00 0.00 C ATOM 0 H VAL A 101 -5.032 -11.659 1.311 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.720 -11.850 -1.492 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.381 -13.450 0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.539 -13.709 -0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.049 -14.434 -1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.504 -12.862 -2.113 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.608 -11.744 0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.577 -10.819 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.168 -11.044 1.112 1.00 0.00 H new ATOM 1481 N LEU A 102 -5.350 -14.212 -2.188 1.00 0.00 N ATOM 1482 CA LEU A 102 -5.977 -15.450 -2.638 1.00 0.00 C ATOM 1483 C LEU A 102 -4.928 -16.458 -3.092 1.00 0.00 C ATOM 1484 O LEU A 102 -3.821 -16.100 -3.495 1.00 0.00 O ATOM 1485 CB LEU A 102 -6.954 -15.165 -3.780 1.00 0.00 C ATOM 1486 CG LEU A 102 -8.251 -14.454 -3.391 1.00 0.00 C ATOM 1487 CD1 LEU A 102 -8.962 -13.926 -4.628 1.00 0.00 C ATOM 1488 CD2 LEU A 102 -9.160 -15.391 -2.611 1.00 0.00 C ATOM 0 H LEU A 102 -4.825 -13.719 -2.910 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.524 -15.877 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.441 -14.560 -4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.210 -16.111 -4.257 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.001 -13.608 -2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.883 -13.423 -4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.314 -13.220 -5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.200 -14.756 -5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.078 -14.868 -2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.403 -16.258 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.652 -15.720 -1.705 1.00 0.00 H new ATOM 1500 N PRO A 103 -5.281 -17.751 -3.028 1.00 0.00 N ATOM 1501 CA PRO A 103 -4.384 -18.838 -3.431 1.00 0.00 C ATOM 1502 C PRO A 103 -4.158 -18.874 -4.938 1.00 0.00 C ATOM 1503 O PRO A 103 -5.107 -18.959 -5.717 1.00 0.00 O ATOM 1504 CB PRO A 103 -5.123 -20.098 -2.971 1.00 0.00 C ATOM 1505 CG PRO A 103 -6.560 -19.704 -2.943 1.00 0.00 C ATOM 1506 CD PRO A 103 -6.583 -18.251 -2.557 1.00 0.00 C ATOM 0 HA PRO A 103 -3.390 -18.728 -2.997 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.953 -20.929 -3.656 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -4.781 -20.421 -1.987 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.026 -19.857 -3.917 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.116 -20.307 -2.226 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.411 -17.723 -3.030 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.697 -18.123 -1.481 1.00 0.00 H new ATOM 1514 N THR A 104 -2.894 -18.809 -5.344 1.00 0.00 N ATOM 1515 CA THR A 104 -2.542 -18.834 -6.759 1.00 0.00 C ATOM 1516 C THR A 104 -3.414 -19.822 -7.525 1.00 0.00 C ATOM 1517 O THR A 104 -3.691 -19.632 -8.708 1.00 0.00 O ATOM 1518 CB THR A 104 -1.061 -19.205 -6.964 1.00 0.00 C ATOM 1519 OG1 THR A 104 -0.223 -18.122 -6.549 1.00 0.00 O ATOM 1520 CG2 THR A 104 -0.784 -19.539 -8.421 1.00 0.00 C ATOM 0 H THR A 104 -2.096 -18.739 -4.713 1.00 0.00 H new ATOM 0 HA THR A 104 -2.713 -17.829 -7.145 1.00 0.00 H new ATOM 0 HB THR A 104 -0.842 -20.085 -6.359 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.504 -17.812 -5.662 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.268 -19.798 -8.541 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.402 -20.384 -8.725 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.019 -18.675 -9.043 1.00 0.00 H new ATOM 1528 N TYR A 105 -3.843 -20.878 -6.841 1.00 0.00 N ATOM 1529 CA TYR A 105 -4.682 -21.898 -7.458 1.00 0.00 C ATOM 1530 C TYR A 105 -6.113 -21.815 -6.935 1.00 0.00 C ATOM 1531 O TYR A 105 -6.340 -21.597 -5.744 1.00 0.00 O ATOM 1532 CB TYR A 105 -4.108 -23.290 -7.191 1.00 0.00 C ATOM 1533 CG TYR A 105 -2.609 -23.371 -7.372 1.00 0.00 C ATOM 1534 CD1 TYR A 105 -1.748 -23.105 -6.315 1.00 0.00 C ATOM 1535 CD2 TYR A 105 -2.055 -23.714 -8.599 1.00 0.00 C ATOM 1536 CE1 TYR A 105 -0.377 -23.178 -6.476 1.00 0.00 C ATOM 1537 CE2 TYR A 105 -0.686 -23.791 -8.768 1.00 0.00 C ATOM 1538 CZ TYR A 105 0.148 -23.522 -7.703 1.00 0.00 C ATOM 1539 OH TYR A 105 1.513 -23.595 -7.868 1.00 0.00 O ATOM 0 H TYR A 105 -3.623 -21.049 -5.860 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.697 -21.719 -8.533 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.359 -23.589 -6.173 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -4.586 -24.005 -7.860 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.156 -22.837 -5.352 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -2.706 -23.924 -9.435 1.00 0.00 H new ATOM 0 HE1 TYR A 105 0.279 -22.967 -5.645 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -0.271 -24.060 -9.728 1.00 0.00 H new ATOM 0 HH TYR A 105 1.718 -23.851 -8.792 1.00 0.00 H new ATOM 1549 N ASP A 106 -7.075 -21.993 -7.833 1.00 0.00 N ATOM 1550 CA ASP A 106 -8.485 -21.942 -7.463 1.00 0.00 C ATOM 1551 C ASP A 106 -9.114 -23.331 -7.520 1.00 0.00 C ATOM 1552 O ASP A 106 -9.763 -23.690 -8.503 1.00 0.00 O ATOM 1553 CB ASP A 106 -9.242 -20.989 -8.388 1.00 0.00 C ATOM 1554 CG ASP A 106 -8.723 -21.028 -9.811 1.00 0.00 C ATOM 1555 OD1 ASP A 106 -8.221 -22.092 -10.230 1.00 0.00 O ATOM 1556 OD2 ASP A 106 -8.817 -19.995 -10.507 1.00 0.00 O ATOM 0 H ASP A 106 -6.905 -22.174 -8.822 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.553 -21.574 -6.439 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -10.301 -21.248 -8.384 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.161 -19.973 -8.003 1.00 0.00 H new ATOM 1561 N ALA A 107 -8.913 -24.110 -6.462 1.00 0.00 N ATOM 1562 CA ALA A 107 -9.461 -25.459 -6.391 1.00 0.00 C ATOM 1563 C ALA A 107 -10.966 -25.429 -6.154 1.00 0.00 C ATOM 1564 O ALA A 107 -11.426 -25.483 -5.013 1.00 0.00 O ATOM 1565 CB ALA A 107 -8.767 -26.252 -5.294 1.00 0.00 C ATOM 0 H ALA A 107 -8.375 -23.830 -5.642 1.00 0.00 H new ATOM 0 HA ALA A 107 -9.281 -25.949 -7.348 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -9.186 -27.258 -5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -7.700 -26.312 -5.508 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -8.918 -25.756 -4.335 1.00 0.00 H new ATOM 1571 N SER A 108 -11.730 -25.342 -7.239 1.00 0.00 N ATOM 1572 CA SER A 108 -13.185 -25.300 -7.148 1.00 0.00 C ATOM 1573 C SER A 108 -13.817 -26.334 -8.074 1.00 0.00 C ATOM 1574 O SER A 108 -13.167 -26.845 -8.985 1.00 0.00 O ATOM 1575 CB SER A 108 -13.699 -23.903 -7.498 1.00 0.00 C ATOM 1576 OG SER A 108 -13.455 -22.989 -6.443 1.00 0.00 O ATOM 0 H SER A 108 -11.366 -25.299 -8.191 1.00 0.00 H new ATOM 0 HA SER A 108 -13.467 -25.536 -6.122 1.00 0.00 H new ATOM 0 HB2 SER A 108 -13.213 -23.551 -8.408 1.00 0.00 H new ATOM 0 HB3 SER A 108 -14.768 -23.947 -7.705 1.00 0.00 H new ATOM 0 HG SER A 108 -13.792 -22.103 -6.693 1.00 0.00 H new TER 1582 SER A 108