USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 703 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 112 GLN : amide:sc= 0.0321 K(o=1,f=-5.1!) USER MOD Set 1.2: A 115 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 116 LYS NZ :NH3+ -172:sc= 0.982 (180deg=0) USER MOD Set 2.1: A 68 THR OG1 : rot 180:sc=-0.00439 USER MOD Set 2.2: A 69 SER OG : rot 180:sc= 0.00232 USER MOD Set 2.3: A 106 ASN : amide:sc= -1.26 K(o=-1.3,f=-13!) USER MOD Set 3.1: A 74 MET CE :methyl 149:sc= -2.82 (180deg=-5.38!) USER MOD Set 3.2: A 81 SER OG : rot 82:sc= 1.16 USER MOD Single : A 2 SER OG : rot -108:sc= 0.114 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl -139:sc= -0.05 (180deg=-0.906) USER MOD Single : A 9 SER OG : rot 90:sc= 1.26 USER MOD Single : A 46 SER OG : rot 35:sc= 0.0907 USER MOD Single : A 55 LYS NZ :NH3+ -160:sc= 1.27 (180deg=1.16) USER MOD Single : A 58 LYS NZ :NH3+ 156:sc= 0.868 (180deg=0.577) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 148:sc= 1.13 (180deg=0.304) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 22:sc= 0.493 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 161:sc= -0.278 (180deg=-0.793) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl 150:sc= 0 (180deg=-0.515) USER MOD Single : A 110 HIS : no HD1:sc= 1.12 K(o=1.1,f=-3.5!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl -128:sc= -4.18! (180deg=-6.63!) USER MOD Single : A 120 ASN : amide:sc= 1.38 K(o=1.4,f=0) USER MOD Single : A 123 LYS NZ :NH3+ 142:sc= 0.373 (180deg=-1.01!) USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 -21.519 -5.732 0.212 1.00 0.00 N ATOM 21 CA SER A 2 -20.409 -6.211 -0.613 1.00 0.00 C ATOM 22 C SER A 2 -19.103 -6.112 0.167 1.00 0.00 C ATOM 23 O SER A 2 -18.456 -5.066 0.179 1.00 0.00 O ATOM 24 CB SER A 2 -20.287 -5.409 -1.921 1.00 0.00 C ATOM 25 OG SER A 2 -21.327 -5.721 -2.834 1.00 0.00 O ATOM 0 HA SER A 2 -20.611 -7.251 -0.870 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.310 -4.343 -1.696 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.323 -5.616 -2.385 1.00 0.00 H new ATOM 0 HG SER A 2 -20.962 -6.242 -3.579 1.00 0.00 H new ATOM 31 N ILE A 3 -18.720 -7.201 0.822 1.00 0.00 N ATOM 32 CA ILE A 3 -17.536 -7.199 1.678 1.00 0.00 C ATOM 33 C ILE A 3 -16.253 -6.971 0.880 1.00 0.00 C ATOM 34 O ILE A 3 -15.320 -6.331 1.367 1.00 0.00 O ATOM 35 CB ILE A 3 -17.428 -8.496 2.499 1.00 0.00 C ATOM 36 CG1 ILE A 3 -18.679 -8.668 3.364 1.00 0.00 C ATOM 37 CG2 ILE A 3 -16.168 -8.494 3.358 1.00 0.00 C ATOM 38 CD1 ILE A 3 -18.549 -9.743 4.414 1.00 0.00 C ATOM 0 H ILE A 3 -19.209 -8.095 0.778 1.00 0.00 H new ATOM 0 HA ILE A 3 -17.655 -6.364 2.368 1.00 0.00 H new ATOM 0 HB ILE A 3 -17.357 -9.340 1.813 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -18.904 -7.720 3.853 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -19.526 -8.903 2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -16.115 -9.421 3.928 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -15.291 -8.412 2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -16.197 -7.647 4.044 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -19.474 -9.806 4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -18.355 -10.701 3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -17.724 -9.500 5.083 1.00 0.00 H new ATOM 50 N PHE A 4 -16.215 -7.465 -0.353 1.00 0.00 N ATOM 51 CA PHE A 4 -15.055 -7.259 -1.215 1.00 0.00 C ATOM 52 C PHE A 4 -14.827 -5.768 -1.461 1.00 0.00 C ATOM 53 O PHE A 4 -13.696 -5.327 -1.654 1.00 0.00 O ATOM 54 CB PHE A 4 -15.207 -8.015 -2.542 1.00 0.00 C ATOM 55 CG PHE A 4 -16.493 -7.748 -3.280 1.00 0.00 C ATOM 56 CD1 PHE A 4 -16.615 -6.654 -4.122 1.00 0.00 C ATOM 57 CD2 PHE A 4 -17.577 -8.599 -3.135 1.00 0.00 C ATOM 58 CE1 PHE A 4 -17.790 -6.418 -4.807 1.00 0.00 C ATOM 59 CE2 PHE A 4 -18.754 -8.367 -3.816 1.00 0.00 C ATOM 60 CZ PHE A 4 -18.862 -7.274 -4.651 1.00 0.00 C ATOM 0 H PHE A 4 -16.968 -8.007 -0.776 1.00 0.00 H new ATOM 0 HA PHE A 4 -14.180 -7.661 -0.704 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -14.371 -7.752 -3.191 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -15.134 -9.084 -2.345 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -15.781 -5.978 -4.244 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -17.499 -9.455 -2.481 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -17.871 -5.565 -5.464 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -19.590 -9.040 -3.696 1.00 0.00 H new ATOM 0 HZ PHE A 4 -19.784 -7.088 -5.182 1.00 0.00 H new ATOM 70 N GLY A 5 -15.905 -4.991 -1.408 1.00 0.00 N ATOM 71 CA GLY A 5 -15.793 -3.558 -1.590 1.00 0.00 C ATOM 72 C GLY A 5 -15.404 -2.859 -0.304 1.00 0.00 C ATOM 73 O GLY A 5 -14.863 -1.757 -0.320 1.00 0.00 O ATOM 0 H GLY A 5 -16.853 -5.330 -1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -15.050 -3.346 -2.359 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -16.743 -3.161 -1.947 1.00 0.00 H new ATOM 77 N LYS A 6 -15.667 -3.520 0.813 1.00 0.00 N ATOM 78 CA LYS A 6 -15.360 -2.974 2.125 1.00 0.00 C ATOM 79 C LYS A 6 -13.874 -3.146 2.417 1.00 0.00 C ATOM 80 O LYS A 6 -13.208 -2.224 2.885 1.00 0.00 O ATOM 81 CB LYS A 6 -16.197 -3.684 3.194 1.00 0.00 C ATOM 82 CG LYS A 6 -17.701 -3.558 2.978 1.00 0.00 C ATOM 83 CD LYS A 6 -18.458 -4.696 3.647 1.00 0.00 C ATOM 84 CE LYS A 6 -18.359 -4.642 5.163 1.00 0.00 C ATOM 85 NZ LYS A 6 -19.242 -3.601 5.753 1.00 0.00 N ATOM 0 H LYS A 6 -16.097 -4.445 0.835 1.00 0.00 H new ATOM 0 HA LYS A 6 -15.603 -1.911 2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -15.928 -4.740 3.211 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -15.944 -3.275 4.172 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -18.048 -2.605 3.377 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -17.917 -3.554 1.910 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -19.506 -4.655 3.352 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -18.064 -5.649 3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -18.623 -5.615 5.576 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -17.326 -4.444 5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -19.139 -3.604 6.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -18.975 -2.667 5.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -20.231 -3.803 5.503 1.00 0.00 H new ATOM 99 N ILE A 7 -13.353 -4.326 2.097 1.00 0.00 N ATOM 100 CA ILE A 7 -11.956 -4.634 2.354 1.00 0.00 C ATOM 101 C ILE A 7 -11.033 -3.841 1.426 1.00 0.00 C ATOM 102 O ILE A 7 -9.962 -3.391 1.838 1.00 0.00 O ATOM 103 CB ILE A 7 -11.657 -6.147 2.211 1.00 0.00 C ATOM 104 CG1 ILE A 7 -12.012 -6.648 0.807 1.00 0.00 C ATOM 105 CG2 ILE A 7 -12.413 -6.936 3.271 1.00 0.00 C ATOM 106 CD1 ILE A 7 -11.611 -8.086 0.552 1.00 0.00 C ATOM 0 H ILE A 7 -13.879 -5.082 1.660 1.00 0.00 H new ATOM 0 HA ILE A 7 -11.761 -4.343 3.386 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.588 -6.300 2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -13.087 -6.548 0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -11.526 -6.009 0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.194 -7.998 3.159 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.103 -6.604 4.262 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -13.484 -6.772 3.152 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.895 -8.369 -0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.532 -8.189 0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -12.117 -8.737 1.265 1.00 0.00 H new ATOM 118 N MET A 8 -11.460 -3.644 0.177 1.00 0.00 N ATOM 119 CA MET A 8 -10.637 -2.939 -0.804 1.00 0.00 C ATOM 120 C MET A 8 -10.521 -1.460 -0.447 1.00 0.00 C ATOM 121 O MET A 8 -9.567 -0.793 -0.844 1.00 0.00 O ATOM 122 CB MET A 8 -11.201 -3.094 -2.224 1.00 0.00 C ATOM 123 CG MET A 8 -12.469 -2.294 -2.491 1.00 0.00 C ATOM 124 SD MET A 8 -13.023 -2.417 -4.203 1.00 0.00 S ATOM 125 CE MET A 8 -14.428 -1.308 -4.183 1.00 0.00 C ATOM 0 H MET A 8 -12.363 -3.960 -0.176 1.00 0.00 H new ATOM 0 HA MET A 8 -9.644 -3.388 -0.781 1.00 0.00 H new ATOM 0 HB2 MET A 8 -10.437 -2.790 -2.940 1.00 0.00 H new ATOM 0 HB3 MET A 8 -11.407 -4.149 -2.406 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.262 -2.646 -1.831 1.00 0.00 H new ATOM 0 HG3 MET A 8 -12.291 -1.247 -2.245 1.00 0.00 H new ATOM 0 HE1 MET A 8 -15.243 -1.742 -4.763 1.00 0.00 H new ATOM 0 HE2 MET A 8 -14.756 -1.155 -3.155 1.00 0.00 H new ATOM 0 HE3 MET A 8 -14.142 -0.351 -4.619 1.00 0.00 H new ATOM 135 N SER A 9 -11.480 -0.966 0.329 1.00 0.00 N ATOM 136 CA SER A 9 -11.495 0.433 0.739 1.00 0.00 C ATOM 137 C SER A 9 -10.382 0.720 1.747 1.00 0.00 C ATOM 138 O SER A 9 -10.021 1.875 1.980 1.00 0.00 O ATOM 139 CB SER A 9 -12.860 0.790 1.330 1.00 0.00 C ATOM 140 OG SER A 9 -13.881 0.665 0.354 1.00 0.00 O ATOM 0 H SER A 9 -12.260 -1.517 0.688 1.00 0.00 H new ATOM 0 HA SER A 9 -11.318 1.052 -0.140 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.077 0.137 2.175 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.840 1.810 1.713 1.00 0.00 H new ATOM 0 HG SER A 9 -14.243 -0.246 0.374 1.00 0.00 H new ATOM 146 N ALA A 10 -9.845 -0.337 2.343 1.00 0.00 N ATOM 147 CA ALA A 10 -8.724 -0.206 3.259 1.00 0.00 C ATOM 148 C ALA A 10 -7.410 -0.465 2.533 1.00 0.00 C ATOM 149 O ALA A 10 -6.421 0.238 2.741 1.00 0.00 O ATOM 150 CB ALA A 10 -8.885 -1.155 4.439 1.00 0.00 C ATOM 0 H ALA A 10 -10.169 -1.294 2.207 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.707 0.814 3.642 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.037 -1.043 5.114 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.806 -0.920 4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.927 -2.182 4.077 1.00 0.00 H new ATOM 156 N ILE A 11 -7.424 -1.463 1.657 1.00 0.00 N ATOM 157 CA ILE A 11 -6.250 -1.839 0.881 1.00 0.00 C ATOM 158 C ILE A 11 -5.832 -0.712 -0.060 1.00 0.00 C ATOM 159 O ILE A 11 -4.697 -0.243 -0.018 1.00 0.00 O ATOM 160 CB ILE A 11 -6.525 -3.122 0.066 1.00 0.00 C ATOM 161 CG1 ILE A 11 -6.910 -4.269 1.006 1.00 0.00 C ATOM 162 CG2 ILE A 11 -5.312 -3.499 -0.769 1.00 0.00 C ATOM 163 CD1 ILE A 11 -7.343 -5.530 0.293 1.00 0.00 C ATOM 0 H ILE A 11 -8.248 -2.033 1.465 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.437 -2.029 1.581 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.356 -2.932 -0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.060 -4.500 1.647 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.719 -3.936 1.657 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.527 -4.405 -1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.078 -2.688 -1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.459 -3.675 -0.113 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.599 -6.294 1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.214 -5.317 -0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.529 -5.890 -0.336 1.00 0.00 H new ATOM 175 N PHE A 12 -6.767 -0.255 -0.882 1.00 0.00 N ATOM 176 CA PHE A 12 -6.483 0.795 -1.856 1.00 0.00 C ATOM 177 C PHE A 12 -6.537 2.172 -1.203 1.00 0.00 C ATOM 178 O PHE A 12 -6.546 3.199 -1.884 1.00 0.00 O ATOM 179 CB PHE A 12 -7.463 0.717 -3.029 1.00 0.00 C ATOM 180 CG PHE A 12 -7.280 -0.505 -3.885 1.00 0.00 C ATOM 181 CD1 PHE A 12 -7.835 -1.719 -3.516 1.00 0.00 C ATOM 182 CD2 PHE A 12 -6.544 -0.438 -5.060 1.00 0.00 C ATOM 183 CE1 PHE A 12 -7.667 -2.841 -4.305 1.00 0.00 C ATOM 184 CE2 PHE A 12 -6.374 -1.557 -5.851 1.00 0.00 C ATOM 185 CZ PHE A 12 -6.932 -2.760 -5.471 1.00 0.00 C ATOM 0 H PHE A 12 -7.729 -0.594 -0.895 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.474 0.641 -2.237 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.482 0.730 -2.642 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.346 1.606 -3.649 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.405 -1.790 -2.602 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -6.099 0.500 -5.359 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.110 -3.781 -4.010 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.805 -1.490 -6.766 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.794 -3.638 -6.085 1.00 0.00 H new ATOM 195 N GLY A 13 -6.563 2.186 0.125 1.00 0.00 N ATOM 196 CA GLY A 13 -6.551 3.434 0.856 1.00 0.00 C ATOM 197 C GLY A 13 -5.139 3.914 1.117 1.00 0.00 C ATOM 198 O GLY A 13 -4.923 5.074 1.468 1.00 0.00 O ATOM 0 H GLY A 13 -6.592 1.350 0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.095 4.192 0.292 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.073 3.306 1.804 1.00 0.00 H new ATOM 572 N SER A 46 0.021 2.304 -8.515 1.00 0.00 N ATOM 573 CA SER A 46 0.525 0.969 -8.241 1.00 0.00 C ATOM 574 C SER A 46 0.207 0.577 -6.804 1.00 0.00 C ATOM 575 O SER A 46 0.814 1.086 -5.861 1.00 0.00 O ATOM 576 CB SER A 46 2.035 0.908 -8.470 1.00 0.00 C ATOM 577 OG SER A 46 2.370 1.326 -9.783 1.00 0.00 O ATOM 0 HA SER A 46 0.039 0.270 -8.922 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.542 1.542 -7.743 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.390 -0.110 -8.308 1.00 0.00 H new ATOM 0 HG SER A 46 1.764 2.043 -10.063 1.00 0.00 H new ATOM 583 N ILE A 47 -0.759 -0.309 -6.643 1.00 0.00 N ATOM 584 CA ILE A 47 -1.146 -0.776 -5.321 1.00 0.00 C ATOM 585 C ILE A 47 -0.701 -2.213 -5.128 1.00 0.00 C ATOM 586 O ILE A 47 -1.277 -3.120 -5.711 1.00 0.00 O ATOM 587 CB ILE A 47 -2.674 -0.698 -5.111 1.00 0.00 C ATOM 588 CG1 ILE A 47 -3.164 0.744 -5.263 1.00 0.00 C ATOM 589 CG2 ILE A 47 -3.050 -1.257 -3.742 1.00 0.00 C ATOM 590 CD1 ILE A 47 -2.503 1.713 -4.308 1.00 0.00 C ATOM 0 H ILE A 47 -1.291 -0.721 -7.410 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.661 -0.126 -4.593 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.162 -1.304 -5.875 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.983 1.074 -6.286 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.242 0.771 -5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.130 -1.196 -3.608 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.735 -2.298 -3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.554 -0.677 -2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.900 2.715 -4.474 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.706 1.408 -3.281 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.427 1.716 -4.480 1.00 0.00 H new ATOM 602 N ASP A 48 0.326 -2.427 -4.331 1.00 0.00 N ATOM 603 CA ASP A 48 0.806 -3.779 -4.100 1.00 0.00 C ATOM 604 C ASP A 48 0.113 -4.368 -2.879 1.00 0.00 C ATOM 605 O ASP A 48 0.345 -3.939 -1.753 1.00 0.00 O ATOM 606 CB ASP A 48 2.320 -3.794 -3.925 1.00 0.00 C ATOM 607 CG ASP A 48 2.906 -5.173 -4.161 1.00 0.00 C ATOM 608 OD1 ASP A 48 2.686 -5.733 -5.253 1.00 0.00 O ATOM 609 OD2 ASP A 48 3.584 -5.703 -3.260 1.00 0.00 O ATOM 0 H ASP A 48 0.839 -1.696 -3.838 1.00 0.00 H new ATOM 0 HA ASP A 48 0.567 -4.391 -4.970 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.772 -3.085 -4.618 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.572 -3.461 -2.918 1.00 0.00 H new ATOM 614 N VAL A 49 -0.739 -5.350 -3.123 1.00 0.00 N ATOM 615 CA VAL A 49 -1.617 -5.892 -2.090 1.00 0.00 C ATOM 616 C VAL A 49 -0.852 -6.786 -1.114 1.00 0.00 C ATOM 617 O VAL A 49 -1.300 -7.023 0.012 1.00 0.00 O ATOM 618 CB VAL A 49 -2.776 -6.692 -2.731 1.00 0.00 C ATOM 619 CG1 VAL A 49 -3.807 -7.107 -1.695 1.00 0.00 C ATOM 620 CG2 VAL A 49 -3.437 -5.884 -3.839 1.00 0.00 C ATOM 0 H VAL A 49 -0.844 -5.794 -4.035 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.024 -5.049 -1.532 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.350 -7.598 -3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.606 -7.667 -2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.332 -7.734 -0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.223 -6.219 -1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.249 -6.464 -4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.835 -4.957 -3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.701 -5.652 -4.609 1.00 0.00 H new ATOM 630 N ALA A 50 0.317 -7.255 -1.541 1.00 0.00 N ATOM 631 CA ALA A 50 1.111 -8.184 -0.743 1.00 0.00 C ATOM 632 C ALA A 50 1.438 -7.621 0.649 1.00 0.00 C ATOM 633 O ALA A 50 1.025 -8.205 1.654 1.00 0.00 O ATOM 634 CB ALA A 50 2.378 -8.588 -1.486 1.00 0.00 C ATOM 0 H ALA A 50 0.736 -7.006 -2.437 1.00 0.00 H new ATOM 0 HA ALA A 50 0.505 -9.077 -0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.954 -9.281 -0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.110 -9.072 -2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.977 -7.701 -1.692 1.00 0.00 H new ATOM 640 N PRO A 51 2.158 -6.479 0.751 1.00 0.00 N ATOM 641 CA PRO A 51 2.523 -5.914 2.052 1.00 0.00 C ATOM 642 C PRO A 51 1.306 -5.432 2.835 1.00 0.00 C ATOM 643 O PRO A 51 1.260 -5.546 4.055 1.00 0.00 O ATOM 644 CB PRO A 51 3.437 -4.736 1.702 1.00 0.00 C ATOM 645 CG PRO A 51 3.081 -4.372 0.305 1.00 0.00 C ATOM 646 CD PRO A 51 2.670 -5.653 -0.363 1.00 0.00 C ATOM 0 HA PRO A 51 3.001 -6.656 2.692 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.278 -3.898 2.381 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.488 -5.015 1.781 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.270 -3.644 0.286 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.929 -3.918 -0.208 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.905 -5.482 -1.120 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.512 -6.132 -0.863 1.00 0.00 H new ATOM 654 N ILE A 52 0.312 -4.918 2.120 1.00 0.00 N ATOM 655 CA ILE A 52 -0.879 -4.370 2.752 1.00 0.00 C ATOM 656 C ILE A 52 -1.607 -5.434 3.566 1.00 0.00 C ATOM 657 O ILE A 52 -1.974 -5.199 4.715 1.00 0.00 O ATOM 658 CB ILE A 52 -1.851 -3.768 1.715 1.00 0.00 C ATOM 659 CG1 ILE A 52 -1.157 -2.660 0.914 1.00 0.00 C ATOM 660 CG2 ILE A 52 -3.099 -3.225 2.406 1.00 0.00 C ATOM 661 CD1 ILE A 52 -2.035 -2.033 -0.145 1.00 0.00 C ATOM 0 H ILE A 52 0.309 -4.870 1.101 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.543 -3.574 3.417 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.154 -4.556 1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.821 -1.883 1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.267 -3.071 0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.774 -2.804 1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.603 -4.034 2.936 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.813 -2.449 3.116 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.476 -1.258 -0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.350 -2.797 -0.855 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.913 -1.591 0.325 1.00 0.00 H new ATOM 673 N LEU A 53 -1.789 -6.612 2.988 1.00 0.00 N ATOM 674 CA LEU A 53 -2.560 -7.648 3.656 1.00 0.00 C ATOM 675 C LEU A 53 -1.690 -8.507 4.553 1.00 0.00 C ATOM 676 O LEU A 53 -2.079 -8.818 5.675 1.00 0.00 O ATOM 677 CB LEU A 53 -3.297 -8.529 2.648 1.00 0.00 C ATOM 678 CG LEU A 53 -4.424 -7.835 1.892 1.00 0.00 C ATOM 679 CD1 LEU A 53 -5.241 -8.847 1.103 1.00 0.00 C ATOM 680 CD2 LEU A 53 -5.310 -7.057 2.850 1.00 0.00 C ATOM 0 H LEU A 53 -1.420 -6.871 2.073 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.295 -7.139 4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.576 -8.911 1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.708 -9.391 3.173 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.983 -7.130 1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.041 -8.333 0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.596 -9.356 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.672 -9.578 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.109 -6.569 2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.743 -7.740 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.715 -6.304 3.366 1.00 0.00 H new ATOM 692 N ASP A 54 -0.510 -8.881 4.071 1.00 0.00 N ATOM 693 CA ASP A 54 0.359 -9.774 4.828 1.00 0.00 C ATOM 694 C ASP A 54 0.718 -9.167 6.172 1.00 0.00 C ATOM 695 O ASP A 54 0.703 -9.852 7.187 1.00 0.00 O ATOM 696 CB ASP A 54 1.637 -10.105 4.055 1.00 0.00 C ATOM 697 CG ASP A 54 2.501 -11.113 4.791 1.00 0.00 C ATOM 698 OD1 ASP A 54 2.269 -12.331 4.620 1.00 0.00 O ATOM 699 OD2 ASP A 54 3.405 -10.695 5.551 1.00 0.00 O ATOM 0 H ASP A 54 -0.136 -8.584 3.170 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.194 -10.699 4.990 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.375 -10.500 3.073 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.207 -9.191 3.889 1.00 0.00 H new ATOM 704 N LYS A 55 1.010 -7.874 6.182 1.00 0.00 N ATOM 705 CA LYS A 55 1.424 -7.212 7.410 1.00 0.00 C ATOM 706 C LYS A 55 0.218 -6.881 8.283 1.00 0.00 C ATOM 707 O LYS A 55 0.312 -6.901 9.509 1.00 0.00 O ATOM 708 CB LYS A 55 2.247 -5.955 7.111 1.00 0.00 C ATOM 709 CG LYS A 55 3.367 -6.193 6.106 1.00 0.00 C ATOM 710 CD LYS A 55 4.176 -7.437 6.443 1.00 0.00 C ATOM 711 CE LYS A 55 5.031 -7.875 5.264 1.00 0.00 C ATOM 712 NZ LYS A 55 5.686 -9.190 5.505 1.00 0.00 N ATOM 0 H LYS A 55 0.969 -7.268 5.363 1.00 0.00 H new ATOM 0 HA LYS A 55 2.061 -7.902 7.963 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.585 -5.178 6.729 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.676 -5.580 8.040 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.943 -6.295 5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.027 -5.325 6.085 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.814 -7.236 7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.503 -8.246 6.727 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.410 -7.938 4.370 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.794 -7.121 5.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.498 -9.296 4.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.015 -9.239 6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.004 -9.955 5.329 1.00 0.00 H new ATOM 726 N ALA A 56 -0.917 -6.600 7.648 1.00 0.00 N ATOM 727 CA ALA A 56 -2.165 -6.373 8.373 1.00 0.00 C ATOM 728 C ALA A 56 -2.592 -7.646 9.089 1.00 0.00 C ATOM 729 O ALA A 56 -3.249 -7.603 10.130 1.00 0.00 O ATOM 730 CB ALA A 56 -3.255 -5.904 7.421 1.00 0.00 C ATOM 0 H ALA A 56 -0.999 -6.524 6.634 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.002 -5.593 9.116 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.178 -5.740 7.977 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.947 -4.973 6.946 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.422 -6.663 6.657 1.00 0.00 H new ATOM 736 N VAL A 57 -2.205 -8.779 8.517 1.00 0.00 N ATOM 737 CA VAL A 57 -2.440 -10.081 9.119 1.00 0.00 C ATOM 738 C VAL A 57 -1.831 -10.168 10.520 1.00 0.00 C ATOM 739 O VAL A 57 -2.538 -10.425 11.494 1.00 0.00 O ATOM 740 CB VAL A 57 -1.873 -11.204 8.222 1.00 0.00 C ATOM 741 CG1 VAL A 57 -1.585 -12.452 9.026 1.00 0.00 C ATOM 742 CG2 VAL A 57 -2.841 -11.524 7.092 1.00 0.00 C ATOM 0 H VAL A 57 -1.719 -8.819 7.621 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.518 -10.211 9.211 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.935 -10.848 7.795 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.187 -13.225 8.368 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.854 -12.224 9.802 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.506 -12.808 9.488 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.425 -12.317 6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.793 -11.852 7.510 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.999 -10.633 6.485 1.00 0.00 H new ATOM 752 N LYS A 58 -0.530 -9.921 10.634 1.00 0.00 N ATOM 753 CA LYS A 58 0.127 -10.001 11.932 1.00 0.00 C ATOM 754 C LYS A 58 -0.172 -8.760 12.766 1.00 0.00 C ATOM 755 O LYS A 58 0.197 -8.676 13.933 1.00 0.00 O ATOM 756 CB LYS A 58 1.644 -10.228 11.804 1.00 0.00 C ATOM 757 CG LYS A 58 2.367 -9.309 10.825 1.00 0.00 C ATOM 758 CD LYS A 58 2.495 -9.935 9.442 1.00 0.00 C ATOM 759 CE LYS A 58 3.333 -11.204 9.460 1.00 0.00 C ATOM 760 NZ LYS A 58 3.359 -11.880 8.132 1.00 0.00 N ATOM 0 H LYS A 58 0.081 -9.668 9.857 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.281 -10.871 12.447 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.096 -10.108 12.789 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.814 -11.260 11.499 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.827 -8.365 10.747 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.360 -9.077 11.211 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.502 -10.163 9.055 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.945 -9.214 8.759 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.352 -10.960 9.762 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.934 -11.890 10.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.214 -12.467 8.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.516 -12.481 8.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.365 -11.164 7.378 1.00 0.00 H new ATOM 774 N ALA A 59 -0.852 -7.797 12.158 1.00 0.00 N ATOM 775 CA ALA A 59 -1.332 -6.629 12.879 1.00 0.00 C ATOM 776 C ALA A 59 -2.705 -6.909 13.482 1.00 0.00 C ATOM 777 O ALA A 59 -3.180 -6.175 14.349 1.00 0.00 O ATOM 778 CB ALA A 59 -1.385 -5.422 11.962 1.00 0.00 C ATOM 0 H ALA A 59 -1.083 -7.803 11.165 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.637 -6.409 13.689 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.746 -4.558 12.519 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.387 -5.214 11.576 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.060 -5.626 11.131 1.00 0.00 H new ATOM 784 N LYS A 60 -3.339 -7.976 13.007 1.00 0.00 N ATOM 785 CA LYS A 60 -4.609 -8.426 13.559 1.00 0.00 C ATOM 786 C LYS A 60 -4.337 -9.303 14.775 1.00 0.00 C ATOM 787 O LYS A 60 -5.071 -9.267 15.764 1.00 0.00 O ATOM 788 CB LYS A 60 -5.417 -9.203 12.509 1.00 0.00 C ATOM 789 CG LYS A 60 -6.818 -9.589 12.962 1.00 0.00 C ATOM 790 CD LYS A 60 -7.669 -8.362 13.250 1.00 0.00 C ATOM 791 CE LYS A 60 -9.098 -8.739 13.612 1.00 0.00 C ATOM 792 NZ LYS A 60 -9.948 -7.541 13.855 1.00 0.00 N ATOM 0 H LYS A 60 -2.991 -8.547 12.237 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.198 -7.559 13.856 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.493 -8.599 11.605 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.871 -10.108 12.243 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.297 -10.193 12.191 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.754 -10.207 13.857 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.224 -7.795 14.068 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.675 -7.710 12.376 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.531 -9.333 12.807 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.092 -9.366 14.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.913 -7.843 14.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.550 -6.987 14.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.975 -6.955 12.996 1.00 0.00 H new ATOM 806 N GLY A 61 -3.282 -10.103 14.682 1.00 0.00 N ATOM 807 CA GLY A 61 -2.820 -10.853 15.836 1.00 0.00 C ATOM 808 C GLY A 61 -2.027 -12.093 15.473 1.00 0.00 C ATOM 809 O GLY A 61 -0.821 -12.169 15.722 1.00 0.00 O ATOM 0 H GLY A 61 -2.739 -10.246 13.831 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.202 -10.205 16.457 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.681 -11.145 16.438 1.00 0.00 H new ATOM 813 N GLU A 62 -2.704 -13.059 14.874 1.00 0.00 N ATOM 814 CA GLU A 62 -2.119 -14.370 14.616 1.00 0.00 C ATOM 815 C GLU A 62 -1.691 -14.503 13.162 1.00 0.00 C ATOM 816 O GLU A 62 -1.862 -13.572 12.370 1.00 0.00 O ATOM 817 CB GLU A 62 -3.132 -15.462 14.971 1.00 0.00 C ATOM 818 CG GLU A 62 -4.470 -15.295 14.270 1.00 0.00 C ATOM 819 CD GLU A 62 -5.513 -16.268 14.770 1.00 0.00 C ATOM 820 OE1 GLU A 62 -6.147 -15.980 15.805 1.00 0.00 O ATOM 821 OE2 GLU A 62 -5.706 -17.325 14.135 1.00 0.00 O ATOM 0 H GLU A 62 -3.667 -12.961 14.554 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.231 -14.482 15.238 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.713 -16.434 14.711 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.293 -15.462 16.049 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.829 -14.276 14.417 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.334 -15.433 13.197 1.00 0.00 H new ATOM 828 N LYS A 63 -1.124 -15.652 12.809 1.00 0.00 N ATOM 829 CA LYS A 63 -0.754 -15.907 11.430 1.00 0.00 C ATOM 830 C LYS A 63 -1.995 -16.287 10.642 1.00 0.00 C ATOM 831 O LYS A 63 -2.548 -17.376 10.796 1.00 0.00 O ATOM 832 CB LYS A 63 0.329 -17.001 11.307 1.00 0.00 C ATOM 833 CG LYS A 63 0.938 -17.128 9.901 1.00 0.00 C ATOM 834 CD LYS A 63 -0.007 -17.819 8.924 1.00 0.00 C ATOM 835 CE LYS A 63 0.278 -17.452 7.473 1.00 0.00 C ATOM 836 NZ LYS A 63 1.482 -18.122 6.926 1.00 0.00 N ATOM 0 H LYS A 63 -0.914 -16.412 13.455 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.321 -14.995 11.020 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.127 -16.789 12.019 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.105 -17.960 11.591 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.186 -16.136 9.524 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.871 -17.689 9.960 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.078 -18.899 9.045 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.035 -17.551 9.167 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.585 -17.716 6.862 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.405 -16.372 7.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.350 -18.298 5.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.313 -17.512 7.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.629 -19.027 7.418 1.00 0.00 H new ATOM 850 N LEU A 64 -2.430 -15.355 9.831 1.00 0.00 N ATOM 851 CA LEU A 64 -3.528 -15.568 8.911 1.00 0.00 C ATOM 852 C LEU A 64 -2.963 -15.735 7.503 1.00 0.00 C ATOM 853 O LEU A 64 -1.877 -15.223 7.207 1.00 0.00 O ATOM 854 CB LEU A 64 -4.488 -14.379 8.974 1.00 0.00 C ATOM 855 CG LEU A 64 -5.147 -14.140 10.334 1.00 0.00 C ATOM 856 CD1 LEU A 64 -6.004 -12.886 10.293 1.00 0.00 C ATOM 857 CD2 LEU A 64 -5.988 -15.341 10.745 1.00 0.00 C ATOM 0 H LEU A 64 -2.031 -14.417 9.788 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.081 -16.467 9.183 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.944 -13.479 8.690 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.271 -14.526 8.230 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.360 -14.003 11.075 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.466 -12.729 11.268 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.380 -12.027 10.045 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.781 -13.001 9.537 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.447 -15.149 11.715 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.767 -15.511 10.002 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.353 -16.224 10.813 1.00 0.00 H new ATOM 869 N GLU A 65 -3.671 -16.449 6.638 1.00 0.00 N ATOM 870 CA GLU A 65 -3.157 -16.722 5.304 1.00 0.00 C ATOM 871 C GLU A 65 -4.170 -16.312 4.241 1.00 0.00 C ATOM 872 O GLU A 65 -5.004 -17.109 3.803 1.00 0.00 O ATOM 873 CB GLU A 65 -2.781 -18.201 5.158 1.00 0.00 C ATOM 874 CG GLU A 65 -1.943 -18.501 3.922 1.00 0.00 C ATOM 875 CD GLU A 65 -0.649 -17.712 3.896 1.00 0.00 C ATOM 876 OE1 GLU A 65 -0.657 -16.568 3.395 1.00 0.00 O ATOM 877 OE2 GLU A 65 0.380 -18.230 4.383 1.00 0.00 O ATOM 0 H GLU A 65 -4.591 -16.845 6.833 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.255 -16.128 5.159 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.230 -18.516 6.044 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.693 -18.797 5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.716 -19.567 3.890 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.523 -18.272 3.028 1.00 0.00 H new ATOM 884 N TRP A 66 -4.090 -15.052 3.838 1.00 0.00 N ATOM 885 CA TRP A 66 -5.001 -14.493 2.848 1.00 0.00 C ATOM 886 C TRP A 66 -4.715 -15.047 1.459 1.00 0.00 C ATOM 887 O TRP A 66 -5.516 -14.885 0.534 1.00 0.00 O ATOM 888 CB TRP A 66 -4.893 -12.965 2.836 1.00 0.00 C ATOM 889 CG TRP A 66 -3.503 -12.455 2.588 1.00 0.00 C ATOM 890 CD1 TRP A 66 -2.519 -12.271 3.517 1.00 0.00 C ATOM 891 CD2 TRP A 66 -2.943 -12.055 1.330 1.00 0.00 C ATOM 892 NE1 TRP A 66 -1.383 -11.790 2.914 1.00 0.00 N ATOM 893 CE2 TRP A 66 -1.616 -11.648 1.574 1.00 0.00 C ATOM 894 CE3 TRP A 66 -3.430 -12.002 0.019 1.00 0.00 C ATOM 895 CZ2 TRP A 66 -0.774 -11.198 0.558 1.00 0.00 C ATOM 896 CZ3 TRP A 66 -2.594 -11.554 -0.987 1.00 0.00 C ATOM 897 CH2 TRP A 66 -1.279 -11.158 -0.712 1.00 0.00 C ATOM 0 H TRP A 66 -3.396 -14.391 4.186 1.00 0.00 H new ATOM 0 HA TRP A 66 -6.016 -14.780 3.124 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -5.557 -12.570 2.067 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -5.246 -12.578 3.792 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.620 -12.474 4.573 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -0.507 -11.574 3.389 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.442 -12.306 -0.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 0.241 -10.892 0.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -2.961 -11.509 -2.002 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.651 -10.814 -1.520 1.00 0.00 H new ATOM 908 N ARG A 67 -3.571 -15.699 1.320 1.00 0.00 N ATOM 909 CA ARG A 67 -3.175 -16.289 0.053 1.00 0.00 C ATOM 910 C ARG A 67 -4.080 -17.468 -0.299 1.00 0.00 C ATOM 911 O ARG A 67 -4.272 -17.788 -1.472 1.00 0.00 O ATOM 912 CB ARG A 67 -1.713 -16.739 0.120 1.00 0.00 C ATOM 913 CG ARG A 67 -0.730 -15.594 0.316 1.00 0.00 C ATOM 914 CD ARG A 67 0.675 -16.098 0.609 1.00 0.00 C ATOM 915 NE ARG A 67 1.630 -14.998 0.748 1.00 0.00 N ATOM 916 CZ ARG A 67 1.872 -14.354 1.896 1.00 0.00 C ATOM 917 NH1 ARG A 67 1.228 -14.686 3.009 1.00 0.00 N ATOM 918 NH2 ARG A 67 2.765 -13.375 1.935 1.00 0.00 N ATOM 0 H ARG A 67 -2.898 -15.833 2.074 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.277 -15.537 -0.729 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.598 -17.450 0.939 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -1.462 -17.268 -0.799 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.714 -14.972 -0.579 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.068 -14.962 1.137 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.665 -16.689 1.525 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.998 -16.760 -0.194 1.00 0.00 H new ATOM 0 HE ARG A 67 2.144 -14.703 -0.083 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.540 -15.439 2.995 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.421 -14.188 3.878 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.270 -13.111 1.089 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.948 -12.886 2.811 1.00 0.00 H new ATOM 932 N THR A 68 -4.652 -18.097 0.720 1.00 0.00 N ATOM 933 CA THR A 68 -5.499 -19.263 0.516 1.00 0.00 C ATOM 934 C THR A 68 -6.918 -19.034 1.040 1.00 0.00 C ATOM 935 O THR A 68 -7.897 -19.274 0.334 1.00 0.00 O ATOM 936 CB THR A 68 -4.895 -20.500 1.207 1.00 0.00 C ATOM 937 OG1 THR A 68 -4.634 -20.210 2.588 1.00 0.00 O ATOM 938 CG2 THR A 68 -3.601 -20.922 0.528 1.00 0.00 C ATOM 0 H THR A 68 -4.544 -17.819 1.695 1.00 0.00 H new ATOM 0 HA THR A 68 -5.553 -19.433 -0.559 1.00 0.00 H new ATOM 0 HB THR A 68 -5.613 -21.316 1.132 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.252 -21.001 3.022 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.193 -21.797 1.034 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.800 -21.166 -0.516 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.881 -20.106 0.579 1.00 0.00 H new ATOM 946 N SER A 69 -7.021 -18.542 2.264 1.00 0.00 N ATOM 947 CA SER A 69 -8.293 -18.454 2.951 1.00 0.00 C ATOM 948 C SER A 69 -8.959 -17.100 2.718 1.00 0.00 C ATOM 949 O SER A 69 -8.326 -16.050 2.830 1.00 0.00 O ATOM 950 CB SER A 69 -8.073 -18.717 4.442 1.00 0.00 C ATOM 951 OG SER A 69 -7.643 -20.052 4.658 1.00 0.00 O ATOM 0 H SER A 69 -6.228 -18.195 2.804 1.00 0.00 H new ATOM 0 HA SER A 69 -8.969 -19.209 2.550 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.329 -18.022 4.833 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.998 -18.535 4.989 1.00 0.00 H new ATOM 0 HG SER A 69 -7.506 -20.201 5.617 1.00 0.00 H new ATOM 957 N ILE A 70 -10.244 -17.129 2.379 1.00 0.00 N ATOM 958 CA ILE A 70 -10.974 -15.906 2.078 1.00 0.00 C ATOM 959 C ILE A 70 -11.611 -15.315 3.337 1.00 0.00 C ATOM 960 O ILE A 70 -11.668 -14.096 3.500 1.00 0.00 O ATOM 961 CB ILE A 70 -12.050 -16.138 0.989 1.00 0.00 C ATOM 962 CG1 ILE A 70 -12.654 -14.804 0.554 1.00 0.00 C ATOM 963 CG2 ILE A 70 -13.133 -17.085 1.479 1.00 0.00 C ATOM 964 CD1 ILE A 70 -11.621 -13.840 0.011 1.00 0.00 C ATOM 0 H ILE A 70 -10.798 -17.983 2.306 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.250 -15.189 1.690 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.570 -16.603 0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -13.411 -14.985 -0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -13.160 -14.346 1.403 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -13.874 -17.228 0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -12.687 -18.046 1.737 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -13.616 -16.661 2.360 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -12.109 -12.910 -0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.877 -13.633 0.780 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -11.132 -14.282 -0.857 1.00 0.00 H new ATOM 976 N VAL A 71 -12.065 -16.185 4.238 1.00 0.00 N ATOM 977 CA VAL A 71 -12.632 -15.747 5.515 1.00 0.00 C ATOM 978 C VAL A 71 -11.521 -15.156 6.374 1.00 0.00 C ATOM 979 O VAL A 71 -11.745 -14.319 7.248 1.00 0.00 O ATOM 980 CB VAL A 71 -13.305 -16.925 6.263 1.00 0.00 C ATOM 981 CG1 VAL A 71 -13.951 -16.458 7.556 1.00 0.00 C ATOM 982 CG2 VAL A 71 -14.334 -17.602 5.374 1.00 0.00 C ATOM 0 H VAL A 71 -12.052 -17.197 4.109 1.00 0.00 H new ATOM 0 HA VAL A 71 -13.396 -14.995 5.320 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.529 -17.648 6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.415 -17.307 8.058 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.192 -16.023 8.206 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.711 -15.709 7.333 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.796 -18.427 5.916 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -15.100 -16.880 5.089 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.845 -17.985 4.478 1.00 0.00 H new ATOM 992 N ASP A 72 -10.320 -15.591 6.056 1.00 0.00 N ATOM 993 CA ASP A 72 -9.112 -15.188 6.741 1.00 0.00 C ATOM 994 C ASP A 72 -8.854 -13.692 6.586 1.00 0.00 C ATOM 995 O ASP A 72 -8.861 -12.945 7.565 1.00 0.00 O ATOM 996 CB ASP A 72 -7.962 -15.984 6.148 1.00 0.00 C ATOM 997 CG ASP A 72 -6.663 -15.769 6.857 1.00 0.00 C ATOM 998 OD1 ASP A 72 -5.968 -14.796 6.520 1.00 0.00 O ATOM 999 OD2 ASP A 72 -6.323 -16.594 7.737 1.00 0.00 O ATOM 0 H ASP A 72 -10.154 -16.250 5.296 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.212 -15.384 7.808 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.212 -17.045 6.176 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.844 -15.712 5.099 1.00 0.00 H new ATOM 1004 N LEU A 73 -8.654 -13.259 5.347 1.00 0.00 N ATOM 1005 CA LEU A 73 -8.332 -11.863 5.064 1.00 0.00 C ATOM 1006 C LEU A 73 -9.476 -10.932 5.450 1.00 0.00 C ATOM 1007 O LEU A 73 -9.256 -9.762 5.769 1.00 0.00 O ATOM 1008 CB LEU A 73 -7.959 -11.690 3.580 1.00 0.00 C ATOM 1009 CG LEU A 73 -8.973 -12.219 2.550 1.00 0.00 C ATOM 1010 CD1 LEU A 73 -10.071 -11.199 2.284 1.00 0.00 C ATOM 1011 CD2 LEU A 73 -8.267 -12.591 1.254 1.00 0.00 C ATOM 0 H LEU A 73 -8.709 -13.854 4.520 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.472 -11.588 5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.802 -10.628 3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.006 -12.189 3.408 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.439 -13.113 2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.772 -11.601 1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.600 -10.983 3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.629 -10.281 1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.997 -12.963 0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.771 -11.711 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.526 -13.365 1.453 1.00 0.00 H new ATOM 1023 N MET A 74 -10.692 -11.459 5.430 1.00 0.00 N ATOM 1024 CA MET A 74 -11.873 -10.678 5.769 1.00 0.00 C ATOM 1025 C MET A 74 -11.766 -10.115 7.186 1.00 0.00 C ATOM 1026 O MET A 74 -11.946 -8.914 7.402 1.00 0.00 O ATOM 1027 CB MET A 74 -13.128 -11.545 5.626 1.00 0.00 C ATOM 1028 CG MET A 74 -14.419 -10.826 5.981 1.00 0.00 C ATOM 1029 SD MET A 74 -15.887 -11.817 5.639 1.00 0.00 S ATOM 1030 CE MET A 74 -15.547 -13.282 6.610 1.00 0.00 C ATOM 0 H MET A 74 -10.887 -12.429 5.181 1.00 0.00 H new ATOM 0 HA MET A 74 -11.944 -9.836 5.080 1.00 0.00 H new ATOM 0 HB2 MET A 74 -13.194 -11.904 4.599 1.00 0.00 H new ATOM 0 HB3 MET A 74 -13.026 -12.423 6.264 1.00 0.00 H new ATOM 0 HG2 MET A 74 -14.403 -10.561 7.038 1.00 0.00 H new ATOM 0 HG3 MET A 74 -14.477 -9.894 5.419 1.00 0.00 H new ATOM 0 HE1 MET A 74 -16.485 -13.713 6.959 1.00 0.00 H new ATOM 0 HE2 MET A 74 -15.019 -14.011 5.996 1.00 0.00 H new ATOM 0 HE3 MET A 74 -14.929 -13.015 7.467 1.00 0.00 H new ATOM 1040 N LYS A 75 -11.437 -10.969 8.145 1.00 0.00 N ATOM 1041 CA LYS A 75 -11.359 -10.531 9.531 1.00 0.00 C ATOM 1042 C LYS A 75 -10.179 -9.587 9.733 1.00 0.00 C ATOM 1043 O LYS A 75 -10.239 -8.704 10.585 1.00 0.00 O ATOM 1044 CB LYS A 75 -11.263 -11.722 10.493 1.00 0.00 C ATOM 1045 CG LYS A 75 -9.955 -12.493 10.420 1.00 0.00 C ATOM 1046 CD LYS A 75 -9.898 -13.591 11.472 1.00 0.00 C ATOM 1047 CE LYS A 75 -10.912 -14.693 11.195 1.00 0.00 C ATOM 1048 NZ LYS A 75 -10.955 -15.700 12.291 1.00 0.00 N ATOM 0 H LYS A 75 -11.223 -11.955 7.993 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.279 -9.993 9.757 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.400 -11.360 11.512 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.085 -12.407 10.285 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.844 -12.931 9.428 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.119 -11.808 10.561 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.895 -14.018 11.498 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.087 -13.162 12.456 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.901 -14.252 11.069 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.662 -15.189 10.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.658 -16.432 12.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.018 -16.140 12.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.219 -15.233 13.182 1.00 0.00 H new ATOM 1062 N ALA A 76 -9.129 -9.759 8.920 1.00 0.00 N ATOM 1063 CA ALA A 76 -7.915 -8.945 9.015 1.00 0.00 C ATOM 1064 C ALA A 76 -8.214 -7.462 8.781 1.00 0.00 C ATOM 1065 O ALA A 76 -7.771 -6.607 9.549 1.00 0.00 O ATOM 1066 CB ALA A 76 -6.870 -9.436 8.024 1.00 0.00 C ATOM 0 H ALA A 76 -9.099 -10.463 8.182 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.522 -9.050 10.026 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.974 -8.821 8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.620 -10.474 8.243 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.267 -9.365 7.011 1.00 0.00 H new ATOM 1072 N LEU A 77 -8.984 -7.158 7.729 1.00 0.00 N ATOM 1073 CA LEU A 77 -9.404 -5.772 7.458 1.00 0.00 C ATOM 1074 C LEU A 77 -10.456 -5.328 8.469 1.00 0.00 C ATOM 1075 O LEU A 77 -10.899 -4.177 8.461 1.00 0.00 O ATOM 1076 CB LEU A 77 -9.958 -5.611 6.030 1.00 0.00 C ATOM 1077 CG LEU A 77 -8.921 -5.615 4.896 1.00 0.00 C ATOM 1078 CD1 LEU A 77 -7.784 -4.647 5.195 1.00 0.00 C ATOM 1079 CD2 LEU A 77 -8.384 -7.013 4.647 1.00 0.00 C ATOM 0 H LEU A 77 -9.328 -7.843 7.056 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.520 -5.142 7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.670 -6.415 5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.515 -4.675 5.982 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.423 -5.282 3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.063 -4.668 4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.183 -3.638 5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.290 -4.941 6.121 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.653 -6.983 3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.908 -7.387 5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.205 -7.674 4.369 1.00 0.00 H new ATOM 1091 N ASP A 78 -10.835 -6.271 9.322 1.00 0.00 N ATOM 1092 CA ASP A 78 -11.777 -6.064 10.422 1.00 0.00 C ATOM 1093 C ASP A 78 -13.203 -6.102 9.922 1.00 0.00 C ATOM 1094 O ASP A 78 -13.807 -5.076 9.603 1.00 0.00 O ATOM 1095 CB ASP A 78 -11.523 -4.777 11.210 1.00 0.00 C ATOM 1096 CG ASP A 78 -12.369 -4.717 12.468 1.00 0.00 C ATOM 1097 OD1 ASP A 78 -12.070 -5.470 13.416 1.00 0.00 O ATOM 1098 OD2 ASP A 78 -13.341 -3.932 12.505 1.00 0.00 O ATOM 0 H ASP A 78 -10.488 -7.229 9.269 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.614 -6.888 11.116 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.468 -4.715 11.477 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.744 -3.915 10.581 1.00 0.00 H new ATOM 1103 N ILE A 79 -13.713 -7.312 9.822 1.00 0.00 N ATOM 1104 CA ILE A 79 -15.104 -7.540 9.458 1.00 0.00 C ATOM 1105 C ILE A 79 -15.735 -8.467 10.495 1.00 0.00 C ATOM 1106 O ILE A 79 -15.013 -9.176 11.198 1.00 0.00 O ATOM 1107 CB ILE A 79 -15.222 -8.159 8.035 1.00 0.00 C ATOM 1108 CG1 ILE A 79 -14.618 -7.224 6.979 1.00 0.00 C ATOM 1109 CG2 ILE A 79 -16.671 -8.468 7.682 1.00 0.00 C ATOM 1110 CD1 ILE A 79 -15.340 -5.900 6.848 1.00 0.00 C ATOM 0 H ILE A 79 -13.180 -8.166 9.989 1.00 0.00 H new ATOM 0 HA ILE A 79 -15.629 -6.585 9.442 1.00 0.00 H new ATOM 0 HB ILE A 79 -14.662 -9.094 8.042 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -13.574 -7.034 7.230 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -14.627 -7.729 6.013 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -16.718 -8.899 6.682 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -17.078 -9.178 8.402 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -17.256 -7.549 7.709 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -14.854 -5.295 6.083 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -16.378 -6.078 6.566 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -15.309 -5.373 7.801 1.00 0.00 H new ATOM 1122 N ASP A 80 -17.065 -8.428 10.612 1.00 0.00 N ATOM 1123 CA ASP A 80 -17.807 -9.323 11.513 1.00 0.00 C ATOM 1124 C ASP A 80 -17.311 -10.765 11.399 1.00 0.00 C ATOM 1125 O ASP A 80 -16.992 -11.403 12.405 1.00 0.00 O ATOM 1126 CB ASP A 80 -19.301 -9.256 11.183 1.00 0.00 C ATOM 1127 CG ASP A 80 -20.111 -10.332 11.876 1.00 0.00 C ATOM 1128 OD1 ASP A 80 -20.398 -10.189 13.085 1.00 0.00 O ATOM 1129 OD2 ASP A 80 -20.464 -11.325 11.211 1.00 0.00 O ATOM 0 H ASP A 80 -17.657 -7.781 10.090 1.00 0.00 H new ATOM 0 HA ASP A 80 -17.640 -8.993 12.538 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -19.687 -8.278 11.470 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -19.433 -9.347 10.105 1.00 0.00 H new ATOM 1134 N SER A 81 -17.267 -11.264 10.165 1.00 0.00 N ATOM 1135 CA SER A 81 -16.686 -12.569 9.852 1.00 0.00 C ATOM 1136 C SER A 81 -17.500 -13.730 10.431 1.00 0.00 C ATOM 1137 O SER A 81 -17.019 -14.860 10.497 1.00 0.00 O ATOM 1138 CB SER A 81 -15.236 -12.629 10.337 1.00 0.00 C ATOM 1139 OG SER A 81 -14.497 -11.533 9.828 1.00 0.00 O ATOM 0 H SER A 81 -17.635 -10.773 9.350 1.00 0.00 H new ATOM 0 HA SER A 81 -16.708 -12.682 8.768 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.210 -12.618 11.427 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.778 -13.565 10.017 1.00 0.00 H new ATOM 0 HG SER A 81 -14.665 -10.741 10.380 1.00 0.00 H new ATOM 1145 N SER A 82 -18.735 -13.459 10.828 1.00 0.00 N ATOM 1146 CA SER A 82 -19.628 -14.512 11.275 1.00 0.00 C ATOM 1147 C SER A 82 -20.492 -14.961 10.102 1.00 0.00 C ATOM 1148 O SER A 82 -20.107 -14.793 8.944 1.00 0.00 O ATOM 1149 CB SER A 82 -20.491 -14.018 12.443 1.00 0.00 C ATOM 1150 OG SER A 82 -21.233 -15.075 13.039 1.00 0.00 O ATOM 0 H SER A 82 -19.138 -12.522 10.849 1.00 0.00 H new ATOM 0 HA SER A 82 -19.047 -15.363 11.632 1.00 0.00 H new ATOM 0 HB2 SER A 82 -19.853 -13.554 13.195 1.00 0.00 H new ATOM 0 HB3 SER A 82 -21.177 -13.249 12.088 1.00 0.00 H new ATOM 0 HG SER A 82 -20.804 -15.932 12.835 1.00 0.00 H new ATOM 1156 N LEU A 83 -21.643 -15.536 10.395 1.00 0.00 N ATOM 1157 CA LEU A 83 -22.527 -16.048 9.363 1.00 0.00 C ATOM 1158 C LEU A 83 -23.073 -14.907 8.508 1.00 0.00 C ATOM 1159 O LEU A 83 -23.148 -15.029 7.293 1.00 0.00 O ATOM 1160 CB LEU A 83 -23.667 -16.849 10.011 1.00 0.00 C ATOM 1161 CG LEU A 83 -24.483 -17.758 9.077 1.00 0.00 C ATOM 1162 CD1 LEU A 83 -25.454 -16.951 8.231 1.00 0.00 C ATOM 1163 CD2 LEU A 83 -23.563 -18.583 8.188 1.00 0.00 C ATOM 0 H LEU A 83 -21.990 -15.661 11.346 1.00 0.00 H new ATOM 0 HA LEU A 83 -21.964 -16.712 8.707 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -23.243 -17.466 10.803 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -24.351 -16.146 10.486 1.00 0.00 H new ATOM 0 HG LEU A 83 -25.064 -18.437 9.701 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -26.016 -17.622 7.582 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -26.144 -16.414 8.882 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -24.900 -16.237 7.622 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -24.162 -19.219 7.536 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -22.949 -17.917 7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -22.919 -19.205 8.809 1.00 0.00 H new ATOM 1175 N SER A 84 -23.433 -13.799 9.145 1.00 0.00 N ATOM 1176 CA SER A 84 -24.015 -12.658 8.443 1.00 0.00 C ATOM 1177 C SER A 84 -23.050 -12.104 7.394 1.00 0.00 C ATOM 1178 O SER A 84 -23.435 -11.869 6.247 1.00 0.00 O ATOM 1179 CB SER A 84 -24.392 -11.561 9.444 1.00 0.00 C ATOM 1180 OG SER A 84 -25.200 -10.569 8.837 1.00 0.00 O ATOM 0 H SER A 84 -23.332 -13.665 10.151 1.00 0.00 H new ATOM 0 HA SER A 84 -24.914 -12.999 7.929 1.00 0.00 H new ATOM 0 HB2 SER A 84 -24.924 -12.002 10.287 1.00 0.00 H new ATOM 0 HB3 SER A 84 -23.487 -11.103 9.843 1.00 0.00 H new ATOM 0 HG SER A 84 -25.427 -9.882 9.498 1.00 0.00 H new ATOM 1186 N ALA A 85 -21.795 -11.912 7.790 1.00 0.00 N ATOM 1187 CA ALA A 85 -20.782 -11.382 6.887 1.00 0.00 C ATOM 1188 C ALA A 85 -20.554 -12.325 5.711 1.00 0.00 C ATOM 1189 O ALA A 85 -20.610 -11.920 4.550 1.00 0.00 O ATOM 1190 CB ALA A 85 -19.478 -11.146 7.636 1.00 0.00 C ATOM 0 H ALA A 85 -21.457 -12.116 8.730 1.00 0.00 H new ATOM 0 HA ALA A 85 -21.140 -10.430 6.495 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -18.730 -10.750 6.949 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -19.645 -10.431 8.442 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -19.123 -12.088 8.055 1.00 0.00 H new ATOM 1196 N ARG A 86 -20.321 -13.593 6.023 1.00 0.00 N ATOM 1197 CA ARG A 86 -20.092 -14.612 5.003 1.00 0.00 C ATOM 1198 C ARG A 86 -21.292 -14.724 4.069 1.00 0.00 C ATOM 1199 O ARG A 86 -21.157 -15.093 2.903 1.00 0.00 O ATOM 1200 CB ARG A 86 -19.817 -15.965 5.662 1.00 0.00 C ATOM 1201 CG ARG A 86 -18.519 -16.005 6.449 1.00 0.00 C ATOM 1202 CD ARG A 86 -18.313 -17.353 7.121 1.00 0.00 C ATOM 1203 NE ARG A 86 -19.244 -17.580 8.232 1.00 0.00 N ATOM 1204 CZ ARG A 86 -19.640 -18.791 8.637 1.00 0.00 C ATOM 1205 NH1 ARG A 86 -19.289 -19.872 7.945 1.00 0.00 N ATOM 1206 NH2 ARG A 86 -20.394 -18.925 9.722 1.00 0.00 N ATOM 0 H ARG A 86 -20.285 -13.944 6.980 1.00 0.00 H new ATOM 0 HA ARG A 86 -19.223 -14.316 4.415 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -20.644 -16.210 6.328 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -19.789 -16.736 4.892 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -17.682 -15.799 5.782 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -18.526 -15.219 7.204 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -18.435 -18.145 6.382 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -17.290 -17.417 7.491 1.00 0.00 H new ATOM 0 HE ARG A 86 -19.611 -16.766 8.725 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -18.718 -19.777 7.105 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -19.591 -20.796 8.254 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -20.675 -18.101 10.253 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -20.692 -19.852 10.025 1.00 0.00 H new ATOM 1220 N LYS A 87 -22.461 -14.381 4.587 1.00 0.00 N ATOM 1221 CA LYS A 87 -23.692 -14.489 3.835 1.00 0.00 C ATOM 1222 C LYS A 87 -23.758 -13.427 2.743 1.00 0.00 C ATOM 1223 O LYS A 87 -23.938 -13.756 1.575 1.00 0.00 O ATOM 1224 CB LYS A 87 -24.901 -14.371 4.769 1.00 0.00 C ATOM 1225 CG LYS A 87 -26.221 -14.723 4.101 1.00 0.00 C ATOM 1226 CD LYS A 87 -26.223 -16.161 3.603 1.00 0.00 C ATOM 1227 CE LYS A 87 -26.195 -17.159 4.753 1.00 0.00 C ATOM 1228 NZ LYS A 87 -27.459 -17.147 5.535 1.00 0.00 N ATOM 0 H LYS A 87 -22.579 -14.023 5.535 1.00 0.00 H new ATOM 0 HA LYS A 87 -23.714 -15.469 3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -24.752 -15.025 5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -24.957 -13.352 5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -27.038 -14.580 4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -26.400 -14.046 3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -27.110 -16.333 2.994 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -25.358 -16.324 2.960 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -26.023 -18.161 4.359 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -25.359 -16.928 5.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -27.536 -18.027 6.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -27.458 -16.334 6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -28.268 -17.071 4.886 1.00 0.00 H new ATOM 1242 N GLU A 88 -23.590 -12.157 3.112 1.00 0.00 N ATOM 1243 CA GLU A 88 -23.723 -11.067 2.145 1.00 0.00 C ATOM 1244 C GLU A 88 -22.622 -11.113 1.087 1.00 0.00 C ATOM 1245 O GLU A 88 -22.871 -10.818 -0.084 1.00 0.00 O ATOM 1246 CB GLU A 88 -23.750 -9.692 2.830 1.00 0.00 C ATOM 1247 CG GLU A 88 -22.502 -9.341 3.617 1.00 0.00 C ATOM 1248 CD GLU A 88 -22.414 -7.853 3.889 1.00 0.00 C ATOM 1249 OE1 GLU A 88 -22.078 -7.098 2.951 1.00 0.00 O ATOM 1250 OE2 GLU A 88 -22.720 -7.426 5.021 1.00 0.00 O ATOM 0 H GLU A 88 -23.364 -11.860 4.061 1.00 0.00 H new ATOM 0 HA GLU A 88 -24.681 -11.212 1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -23.908 -8.927 2.069 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -24.607 -9.655 3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -22.502 -9.885 4.562 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.620 -9.663 3.064 1.00 0.00 H new ATOM 1257 N LEU A 89 -21.417 -11.491 1.492 1.00 0.00 N ATOM 1258 CA LEU A 89 -20.306 -11.618 0.556 1.00 0.00 C ATOM 1259 C LEU A 89 -20.601 -12.712 -0.465 1.00 0.00 C ATOM 1260 O LEU A 89 -20.335 -12.556 -1.660 1.00 0.00 O ATOM 1261 CB LEU A 89 -19.004 -11.927 1.304 1.00 0.00 C ATOM 1262 CG LEU A 89 -17.770 -12.151 0.422 1.00 0.00 C ATOM 1263 CD1 LEU A 89 -17.493 -10.929 -0.441 1.00 0.00 C ATOM 1264 CD2 LEU A 89 -16.560 -12.475 1.280 1.00 0.00 C ATOM 0 H LEU A 89 -21.183 -11.715 2.459 1.00 0.00 H new ATOM 0 HA LEU A 89 -20.185 -10.670 0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -18.795 -11.104 1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -19.159 -12.817 1.914 1.00 0.00 H new ATOM 0 HG LEU A 89 -17.970 -12.996 -0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -16.613 -11.111 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -18.352 -10.734 -1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -17.315 -10.065 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.692 -12.631 0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -16.364 -11.647 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -16.754 -13.380 1.856 1.00 0.00 H new ATOM 1276 N ALA A 90 -21.176 -13.807 0.010 1.00 0.00 N ATOM 1277 CA ALA A 90 -21.499 -14.927 -0.855 1.00 0.00 C ATOM 1278 C ALA A 90 -22.614 -14.567 -1.834 1.00 0.00 C ATOM 1279 O ALA A 90 -22.512 -14.872 -3.020 1.00 0.00 O ATOM 1280 CB ALA A 90 -21.882 -16.144 -0.027 1.00 0.00 C ATOM 0 H ALA A 90 -21.428 -13.942 0.989 1.00 0.00 H new ATOM 0 HA ALA A 90 -20.611 -15.169 -1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -22.121 -16.975 -0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -21.048 -16.423 0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -22.751 -15.908 0.586 1.00 0.00 H new ATOM 1286 N LYS A 91 -23.656 -13.898 -1.337 1.00 0.00 N ATOM 1287 CA LYS A 91 -24.819 -13.542 -2.158 1.00 0.00 C ATOM 1288 C LYS A 91 -24.396 -12.785 -3.408 1.00 0.00 C ATOM 1289 O LYS A 91 -24.900 -13.037 -4.504 1.00 0.00 O ATOM 1290 CB LYS A 91 -25.812 -12.671 -1.374 1.00 0.00 C ATOM 1291 CG LYS A 91 -26.381 -13.325 -0.124 1.00 0.00 C ATOM 1292 CD LYS A 91 -27.508 -12.491 0.478 1.00 0.00 C ATOM 1293 CE LYS A 91 -27.066 -11.065 0.783 1.00 0.00 C ATOM 1294 NZ LYS A 91 -28.220 -10.178 1.081 1.00 0.00 N ATOM 0 H LYS A 91 -23.720 -13.590 -0.367 1.00 0.00 H new ATOM 0 HA LYS A 91 -25.302 -14.478 -2.441 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -25.315 -11.744 -1.088 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -26.637 -12.400 -2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -26.754 -14.319 -0.370 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -25.589 -13.455 0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -28.351 -12.469 -0.213 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -27.859 -12.965 1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -26.384 -11.071 1.633 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -26.512 -10.667 -0.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -27.876 -9.217 1.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -28.859 -10.152 0.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -28.734 -10.543 1.908 1.00 0.00 H new ATOM 1308 N GLU A 92 -23.460 -11.867 -3.229 1.00 0.00 N ATOM 1309 CA GLU A 92 -23.010 -10.999 -4.306 1.00 0.00 C ATOM 1310 C GLU A 92 -22.166 -11.756 -5.326 1.00 0.00 C ATOM 1311 O GLU A 92 -22.164 -11.419 -6.510 1.00 0.00 O ATOM 1312 CB GLU A 92 -22.208 -9.837 -3.723 1.00 0.00 C ATOM 1313 CG GLU A 92 -23.008 -8.985 -2.754 1.00 0.00 C ATOM 1314 CD GLU A 92 -24.297 -8.471 -3.363 1.00 0.00 C ATOM 1315 OE1 GLU A 92 -24.232 -7.617 -4.270 1.00 0.00 O ATOM 1316 OE2 GLU A 92 -25.382 -8.919 -2.938 1.00 0.00 O ATOM 0 H GLU A 92 -22.992 -11.703 -2.338 1.00 0.00 H new ATOM 0 HA GLU A 92 -23.890 -10.619 -4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -21.330 -10.231 -3.211 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -21.847 -9.208 -4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -23.238 -9.571 -1.864 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -22.400 -8.140 -2.431 1.00 0.00 H new ATOM 1323 N LEU A 93 -21.463 -12.780 -4.871 1.00 0.00 N ATOM 1324 CA LEU A 93 -20.545 -13.507 -5.736 1.00 0.00 C ATOM 1325 C LEU A 93 -21.204 -14.736 -6.359 1.00 0.00 C ATOM 1326 O LEU A 93 -20.711 -15.274 -7.350 1.00 0.00 O ATOM 1327 CB LEU A 93 -19.298 -13.905 -4.952 1.00 0.00 C ATOM 1328 CG LEU A 93 -18.505 -12.729 -4.375 1.00 0.00 C ATOM 1329 CD1 LEU A 93 -17.345 -13.230 -3.536 1.00 0.00 C ATOM 1330 CD2 LEU A 93 -18.000 -11.821 -5.489 1.00 0.00 C ATOM 0 H LEU A 93 -21.509 -13.126 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 93 -20.259 -12.846 -6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -19.593 -14.563 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -18.643 -14.482 -5.605 1.00 0.00 H new ATOM 0 HG LEU A 93 -19.172 -12.150 -3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -16.793 -12.380 -3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -17.726 -13.837 -2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -16.682 -13.833 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -17.439 -10.992 -5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -17.351 -12.389 -6.156 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -18.847 -11.431 -6.053 1.00 0.00 H new ATOM 1342 N GLY A 94 -22.315 -15.183 -5.782 1.00 0.00 N ATOM 1343 CA GLY A 94 -23.026 -16.317 -6.345 1.00 0.00 C ATOM 1344 C GLY A 94 -23.788 -17.115 -5.304 1.00 0.00 C ATOM 1345 O GLY A 94 -24.875 -17.621 -5.580 1.00 0.00 O ATOM 0 H GLY A 94 -22.733 -14.784 -4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -23.723 -15.961 -7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -22.314 -16.972 -6.848 1.00 0.00 H new ATOM 1349 N TYR A 95 -23.211 -17.220 -4.110 1.00 0.00 N ATOM 1350 CA TYR A 95 -23.805 -17.968 -3.003 1.00 0.00 C ATOM 1351 C TYR A 95 -23.952 -19.445 -3.363 1.00 0.00 C ATOM 1352 O TYR A 95 -25.025 -19.912 -3.749 1.00 0.00 O ATOM 1353 CB TYR A 95 -25.153 -17.357 -2.591 1.00 0.00 C ATOM 1354 CG TYR A 95 -25.770 -17.976 -1.352 1.00 0.00 C ATOM 1355 CD1 TYR A 95 -25.158 -17.850 -0.112 1.00 0.00 C ATOM 1356 CD2 TYR A 95 -26.966 -18.678 -1.422 1.00 0.00 C ATOM 1357 CE1 TYR A 95 -25.721 -18.406 1.023 1.00 0.00 C ATOM 1358 CE2 TYR A 95 -27.537 -19.236 -0.293 1.00 0.00 C ATOM 1359 CZ TYR A 95 -26.912 -19.097 0.927 1.00 0.00 C ATOM 1360 OH TYR A 95 -27.480 -19.644 2.057 1.00 0.00 O ATOM 0 H TYR A 95 -22.316 -16.788 -3.881 1.00 0.00 H new ATOM 0 HA TYR A 95 -23.134 -17.900 -2.146 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -25.017 -16.289 -2.419 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -25.853 -17.459 -3.420 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -24.227 -17.309 -0.032 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -27.459 -18.790 -2.376 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -25.231 -18.300 1.980 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -28.468 -19.778 -0.367 1.00 0.00 H new ATOM 0 HH TYR A 95 -28.316 -20.096 1.817 1.00 0.00 H new ATOM 1454 N ALA A 103 -14.356 -26.614 2.357 1.00 0.00 N ATOM 1455 CA ALA A 103 -13.246 -26.947 1.473 1.00 0.00 C ATOM 1456 C ALA A 103 -13.343 -26.197 0.149 1.00 0.00 C ATOM 1457 O ALA A 103 -12.455 -25.424 -0.202 1.00 0.00 O ATOM 1458 CB ALA A 103 -13.206 -28.448 1.224 1.00 0.00 C ATOM 0 HA ALA A 103 -12.323 -26.640 1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -12.373 -28.685 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -13.077 -28.971 2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -14.140 -28.765 0.759 1.00 0.00 H new ATOM 1464 N SER A 104 -14.435 -26.412 -0.571 1.00 0.00 N ATOM 1465 CA SER A 104 -14.622 -25.764 -1.859 1.00 0.00 C ATOM 1466 C SER A 104 -15.093 -24.323 -1.679 1.00 0.00 C ATOM 1467 O SER A 104 -14.790 -23.458 -2.499 1.00 0.00 O ATOM 1468 CB SER A 104 -15.630 -26.549 -2.692 1.00 0.00 C ATOM 1469 OG SER A 104 -15.255 -27.914 -2.782 1.00 0.00 O ATOM 0 H SER A 104 -15.199 -27.025 -0.287 1.00 0.00 H new ATOM 0 HA SER A 104 -13.665 -25.745 -2.380 1.00 0.00 H new ATOM 0 HB2 SER A 104 -16.620 -26.468 -2.244 1.00 0.00 H new ATOM 0 HB3 SER A 104 -15.696 -26.119 -3.691 1.00 0.00 H new ATOM 0 HG SER A 104 -15.915 -28.400 -3.319 1.00 0.00 H new ATOM 1475 N MET A 105 -15.814 -24.070 -0.589 1.00 0.00 N ATOM 1476 CA MET A 105 -16.386 -22.750 -0.330 1.00 0.00 C ATOM 1477 C MET A 105 -15.292 -21.710 -0.103 1.00 0.00 C ATOM 1478 O MET A 105 -15.389 -20.582 -0.577 1.00 0.00 O ATOM 1479 CB MET A 105 -17.319 -22.802 0.884 1.00 0.00 C ATOM 1480 CG MET A 105 -18.002 -21.478 1.191 1.00 0.00 C ATOM 1481 SD MET A 105 -19.058 -20.913 -0.157 1.00 0.00 S ATOM 1482 CE MET A 105 -19.666 -19.371 0.517 1.00 0.00 C ATOM 0 H MET A 105 -16.017 -24.763 0.131 1.00 0.00 H new ATOM 0 HA MET A 105 -16.960 -22.456 -1.209 1.00 0.00 H new ATOM 0 HB2 MET A 105 -18.081 -23.562 0.712 1.00 0.00 H new ATOM 0 HB3 MET A 105 -16.747 -23.116 1.757 1.00 0.00 H new ATOM 0 HG2 MET A 105 -18.600 -21.583 2.096 1.00 0.00 H new ATOM 0 HG3 MET A 105 -17.244 -20.722 1.396 1.00 0.00 H new ATOM 0 HE1 MET A 105 -19.864 -18.672 -0.295 1.00 0.00 H new ATOM 0 HE2 MET A 105 -20.587 -19.554 1.071 1.00 0.00 H new ATOM 0 HE3 MET A 105 -18.918 -18.947 1.187 1.00 0.00 H new ATOM 1492 N ASN A 106 -14.250 -22.099 0.618 1.00 0.00 N ATOM 1493 CA ASN A 106 -13.138 -21.200 0.911 1.00 0.00 C ATOM 1494 C ASN A 106 -12.371 -20.863 -0.364 1.00 0.00 C ATOM 1495 O ASN A 106 -11.921 -19.734 -0.553 1.00 0.00 O ATOM 1496 CB ASN A 106 -12.201 -21.843 1.940 1.00 0.00 C ATOM 1497 CG ASN A 106 -11.078 -20.923 2.392 1.00 0.00 C ATOM 1498 OD1 ASN A 106 -11.232 -19.700 2.436 1.00 0.00 O ATOM 1499 ND2 ASN A 106 -9.942 -21.511 2.742 1.00 0.00 N ATOM 0 H ASN A 106 -14.150 -23.034 1.013 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.538 -20.275 1.326 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.783 -22.148 2.810 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -11.769 -22.748 1.512 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.154 -20.948 3.062 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -9.856 -22.526 2.691 1.00 0.00 H new ATOM 1506 N ILE A 107 -12.254 -21.846 -1.252 1.00 0.00 N ATOM 1507 CA ILE A 107 -11.502 -21.673 -2.489 1.00 0.00 C ATOM 1508 C ILE A 107 -12.282 -20.842 -3.509 1.00 0.00 C ATOM 1509 O ILE A 107 -11.758 -19.871 -4.055 1.00 0.00 O ATOM 1510 CB ILE A 107 -11.127 -23.036 -3.114 1.00 0.00 C ATOM 1511 CG1 ILE A 107 -10.287 -23.858 -2.130 1.00 0.00 C ATOM 1512 CG2 ILE A 107 -10.374 -22.841 -4.427 1.00 0.00 C ATOM 1513 CD1 ILE A 107 -9.942 -25.247 -2.630 1.00 0.00 C ATOM 0 H ILE A 107 -12.670 -22.770 -1.137 1.00 0.00 H new ATOM 0 HA ILE A 107 -10.588 -21.139 -2.229 1.00 0.00 H new ATOM 0 HB ILE A 107 -12.046 -23.581 -3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -9.364 -23.319 -1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -10.830 -23.945 -1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -10.120 -23.814 -4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -11.003 -22.294 -5.129 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.460 -22.276 -4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -9.347 -25.767 -1.879 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -10.860 -25.805 -2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -9.371 -25.169 -3.555 1.00 0.00 H new ATOM 1525 N TRP A 108 -13.537 -21.218 -3.751 1.00 0.00 N ATOM 1526 CA TRP A 108 -14.362 -20.550 -4.754 1.00 0.00 C ATOM 1527 C TRP A 108 -14.592 -19.082 -4.400 1.00 0.00 C ATOM 1528 O TRP A 108 -14.384 -18.194 -5.231 1.00 0.00 O ATOM 1529 CB TRP A 108 -15.709 -21.272 -4.909 1.00 0.00 C ATOM 1530 CG TRP A 108 -16.702 -20.495 -5.717 1.00 0.00 C ATOM 1531 CD1 TRP A 108 -16.737 -20.368 -7.076 1.00 0.00 C ATOM 1532 CD2 TRP A 108 -17.801 -19.730 -5.210 1.00 0.00 C ATOM 1533 NE1 TRP A 108 -17.786 -19.562 -7.444 1.00 0.00 N ATOM 1534 CE2 TRP A 108 -18.456 -19.160 -6.315 1.00 0.00 C ATOM 1535 CE3 TRP A 108 -18.292 -19.471 -3.928 1.00 0.00 C ATOM 1536 CZ2 TRP A 108 -19.574 -18.347 -6.180 1.00 0.00 C ATOM 1537 CZ3 TRP A 108 -19.402 -18.663 -3.794 1.00 0.00 C ATOM 1538 CH2 TRP A 108 -20.032 -18.108 -4.913 1.00 0.00 C ATOM 0 H TRP A 108 -14.004 -21.983 -3.265 1.00 0.00 H new ATOM 0 HA TRP A 108 -13.826 -20.589 -5.702 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -15.543 -22.240 -5.381 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -16.126 -21.467 -3.921 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -16.042 -20.833 -7.760 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -18.028 -19.304 -8.401 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -17.812 -19.895 -3.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -20.063 -17.920 -7.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -19.791 -18.455 -2.808 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -20.898 -17.478 -4.774 1.00 0.00 H new ATOM 1549 N LEU A 109 -15.010 -18.836 -3.164 1.00 0.00 N ATOM 1550 CA LEU A 109 -15.308 -17.484 -2.707 1.00 0.00 C ATOM 1551 C LEU A 109 -14.056 -16.616 -2.801 1.00 0.00 C ATOM 1552 O LEU A 109 -14.122 -15.447 -3.181 1.00 0.00 O ATOM 1553 CB LEU A 109 -15.825 -17.521 -1.263 1.00 0.00 C ATOM 1554 CG LEU A 109 -16.552 -16.262 -0.783 1.00 0.00 C ATOM 1555 CD1 LEU A 109 -17.870 -16.094 -1.522 1.00 0.00 C ATOM 1556 CD2 LEU A 109 -16.788 -16.325 0.718 1.00 0.00 C ATOM 0 H LEU A 109 -15.151 -19.558 -2.458 1.00 0.00 H new ATOM 0 HA LEU A 109 -16.081 -17.054 -3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -16.502 -18.370 -1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -14.980 -17.705 -0.599 1.00 0.00 H new ATOM 0 HG LEU A 109 -15.924 -15.397 -0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -18.373 -15.194 -1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -17.679 -16.006 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -18.504 -16.961 -1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -17.306 -15.423 1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -17.397 -17.198 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -15.831 -16.400 1.234 1.00 0.00 H new ATOM 1568 N HIS A 110 -12.909 -17.217 -2.487 1.00 0.00 N ATOM 1569 CA HIS A 110 -11.623 -16.526 -2.546 1.00 0.00 C ATOM 1570 C HIS A 110 -11.338 -16.033 -3.966 1.00 0.00 C ATOM 1571 O HIS A 110 -10.850 -14.920 -4.158 1.00 0.00 O ATOM 1572 CB HIS A 110 -10.502 -17.463 -2.075 1.00 0.00 C ATOM 1573 CG HIS A 110 -9.161 -16.807 -1.927 1.00 0.00 C ATOM 1574 ND1 HIS A 110 -8.127 -16.993 -2.819 1.00 0.00 N ATOM 1575 CD2 HIS A 110 -8.681 -15.980 -0.969 1.00 0.00 C ATOM 1576 CE1 HIS A 110 -7.072 -16.309 -2.415 1.00 0.00 C ATOM 1577 NE2 HIS A 110 -7.379 -15.688 -1.292 1.00 0.00 N ATOM 0 H HIS A 110 -12.845 -18.190 -2.187 1.00 0.00 H new ATOM 0 HA HIS A 110 -11.664 -15.660 -1.885 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -10.787 -17.897 -1.117 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -10.413 -18.286 -2.784 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -9.223 -15.617 -0.108 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -6.118 -16.265 -2.919 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -6.753 -15.090 -0.753 1.00 0.00 H new ATOM 1586 N LYS A 111 -11.660 -16.867 -4.949 1.00 0.00 N ATOM 1587 CA LYS A 111 -11.430 -16.544 -6.354 1.00 0.00 C ATOM 1588 C LYS A 111 -12.210 -15.306 -6.775 1.00 0.00 C ATOM 1589 O LYS A 111 -11.644 -14.351 -7.309 1.00 0.00 O ATOM 1590 CB LYS A 111 -11.839 -17.722 -7.242 1.00 0.00 C ATOM 1591 CG LYS A 111 -10.954 -18.952 -7.106 1.00 0.00 C ATOM 1592 CD LYS A 111 -11.566 -20.147 -7.826 1.00 0.00 C ATOM 1593 CE LYS A 111 -11.825 -19.853 -9.296 1.00 0.00 C ATOM 1594 NZ LYS A 111 -10.581 -19.884 -10.107 1.00 0.00 N ATOM 0 H LYS A 111 -12.086 -17.781 -4.797 1.00 0.00 H new ATOM 0 HA LYS A 111 -10.366 -16.342 -6.474 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -12.866 -18.001 -7.004 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -11.830 -17.397 -8.282 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -9.967 -18.741 -7.517 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -10.816 -19.190 -6.051 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.898 -21.004 -7.740 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -12.502 -20.423 -7.341 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.531 -20.583 -9.691 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.293 -18.873 -9.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -10.809 -19.678 -11.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.915 -19.169 -9.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.146 -20.826 -10.040 1.00 0.00 H new ATOM 1608 N GLN A 112 -13.507 -15.326 -6.519 1.00 0.00 N ATOM 1609 CA GLN A 112 -14.391 -14.278 -6.997 1.00 0.00 C ATOM 1610 C GLN A 112 -14.102 -12.940 -6.318 1.00 0.00 C ATOM 1611 O GLN A 112 -14.221 -11.885 -6.943 1.00 0.00 O ATOM 1612 CB GLN A 112 -15.843 -14.694 -6.790 1.00 0.00 C ATOM 1613 CG GLN A 112 -16.756 -14.246 -7.915 1.00 0.00 C ATOM 1614 CD GLN A 112 -16.097 -14.395 -9.271 1.00 0.00 C ATOM 1615 OE1 GLN A 112 -15.512 -13.446 -9.797 1.00 0.00 O ATOM 1616 NE2 GLN A 112 -16.147 -15.596 -9.822 1.00 0.00 N ATOM 0 H GLN A 112 -13.971 -16.058 -5.982 1.00 0.00 H new ATOM 0 HA GLN A 112 -14.210 -14.139 -8.063 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -15.894 -15.779 -6.698 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -16.204 -14.277 -5.850 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -17.675 -14.832 -7.892 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -17.038 -13.204 -7.761 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -16.643 -16.353 -9.351 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -15.690 -15.766 -10.718 1.00 0.00 H new ATOM 1625 N VAL A 113 -13.708 -12.986 -5.048 1.00 0.00 N ATOM 1626 CA VAL A 113 -13.323 -11.776 -4.324 1.00 0.00 C ATOM 1627 C VAL A 113 -12.105 -11.118 -4.971 1.00 0.00 C ATOM 1628 O VAL A 113 -12.078 -9.902 -5.160 1.00 0.00 O ATOM 1629 CB VAL A 113 -13.022 -12.064 -2.835 1.00 0.00 C ATOM 1630 CG1 VAL A 113 -12.475 -10.822 -2.146 1.00 0.00 C ATOM 1631 CG2 VAL A 113 -14.274 -12.549 -2.121 1.00 0.00 C ATOM 0 H VAL A 113 -13.647 -13.844 -4.500 1.00 0.00 H new ATOM 0 HA VAL A 113 -14.173 -11.095 -4.376 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.266 -12.848 -2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.270 -11.047 -1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.553 -10.510 -2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -13.209 -10.019 -2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -14.043 -12.747 -1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -15.048 -11.784 -2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -14.630 -13.465 -2.593 1.00 0.00 H new ATOM 1641 N MET A 114 -11.113 -11.929 -5.342 1.00 0.00 N ATOM 1642 CA MET A 114 -9.889 -11.411 -5.961 1.00 0.00 C ATOM 1643 C MET A 114 -10.212 -10.679 -7.257 1.00 0.00 C ATOM 1644 O MET A 114 -9.606 -9.655 -7.573 1.00 0.00 O ATOM 1645 CB MET A 114 -8.896 -12.540 -6.255 1.00 0.00 C ATOM 1646 CG MET A 114 -8.445 -13.305 -5.023 1.00 0.00 C ATOM 1647 SD MET A 114 -7.240 -14.592 -5.401 1.00 0.00 S ATOM 1648 CE MET A 114 -8.110 -15.529 -6.656 1.00 0.00 C ATOM 0 H MET A 114 -11.131 -12.942 -5.226 1.00 0.00 H new ATOM 0 HA MET A 114 -9.435 -10.717 -5.254 1.00 0.00 H new ATOM 0 HB2 MET A 114 -9.353 -13.238 -6.956 1.00 0.00 H new ATOM 0 HB3 MET A 114 -8.020 -12.120 -6.749 1.00 0.00 H new ATOM 0 HG2 MET A 114 -8.012 -12.607 -4.306 1.00 0.00 H new ATOM 0 HG3 MET A 114 -9.313 -13.756 -4.543 1.00 0.00 H new ATOM 0 HE1 MET A 114 -8.117 -16.584 -6.383 1.00 0.00 H new ATOM 0 HE2 MET A 114 -9.135 -15.168 -6.734 1.00 0.00 H new ATOM 0 HE3 MET A 114 -7.608 -15.406 -7.616 1.00 0.00 H new ATOM 1658 N SER A 115 -11.191 -11.203 -7.985 1.00 0.00 N ATOM 1659 CA SER A 115 -11.616 -10.634 -9.260 1.00 0.00 C ATOM 1660 C SER A 115 -12.173 -9.217 -9.069 1.00 0.00 C ATOM 1661 O SER A 115 -12.129 -8.390 -9.979 1.00 0.00 O ATOM 1662 CB SER A 115 -12.672 -11.548 -9.898 1.00 0.00 C ATOM 1663 OG SER A 115 -13.077 -11.079 -11.171 1.00 0.00 O ATOM 0 H SER A 115 -11.713 -12.034 -7.709 1.00 0.00 H new ATOM 0 HA SER A 115 -10.753 -10.564 -9.922 1.00 0.00 H new ATOM 0 HB2 SER A 115 -12.269 -12.556 -9.994 1.00 0.00 H new ATOM 0 HB3 SER A 115 -13.540 -11.613 -9.242 1.00 0.00 H new ATOM 0 HG SER A 115 -13.748 -11.687 -11.545 1.00 0.00 H new ATOM 1669 N LYS A 116 -12.685 -8.943 -7.875 1.00 0.00 N ATOM 1670 CA LYS A 116 -13.256 -7.633 -7.560 1.00 0.00 C ATOM 1671 C LYS A 116 -12.252 -6.784 -6.791 1.00 0.00 C ATOM 1672 O LYS A 116 -12.491 -5.611 -6.514 1.00 0.00 O ATOM 1673 CB LYS A 116 -14.540 -7.788 -6.730 1.00 0.00 C ATOM 1674 CG LYS A 116 -15.781 -8.178 -7.536 1.00 0.00 C ATOM 1675 CD LYS A 116 -15.569 -9.445 -8.345 1.00 0.00 C ATOM 1676 CE LYS A 116 -16.839 -9.894 -9.036 1.00 0.00 C ATOM 1677 NZ LYS A 116 -16.542 -10.815 -10.161 1.00 0.00 N ATOM 0 H LYS A 116 -12.718 -9.611 -7.105 1.00 0.00 H new ATOM 0 HA LYS A 116 -13.498 -7.136 -8.500 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -14.371 -8.543 -5.962 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -14.739 -6.848 -6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -16.622 -8.320 -6.858 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -16.047 -7.361 -8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -14.792 -9.274 -9.090 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -15.213 -10.239 -7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -17.490 -10.392 -8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -17.381 -9.024 -9.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -17.413 -10.999 -10.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -15.834 -10.381 -10.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -16.171 -11.711 -9.787 1.00 0.00 H new ATOM 1691 N LEU A 117 -11.116 -7.382 -6.472 1.00 0.00 N ATOM 1692 CA LEU A 117 -10.129 -6.741 -5.624 1.00 0.00 C ATOM 1693 C LEU A 117 -8.937 -6.249 -6.438 1.00 0.00 C ATOM 1694 O LEU A 117 -8.784 -5.050 -6.676 1.00 0.00 O ATOM 1695 CB LEU A 117 -9.658 -7.721 -4.544 1.00 0.00 C ATOM 1696 CG LEU A 117 -8.618 -7.170 -3.567 1.00 0.00 C ATOM 1697 CD1 LEU A 117 -9.187 -5.992 -2.795 1.00 0.00 C ATOM 1698 CD2 LEU A 117 -8.158 -8.262 -2.612 1.00 0.00 C ATOM 0 H LEU A 117 -10.855 -8.315 -6.790 1.00 0.00 H new ATOM 0 HA LEU A 117 -10.595 -5.876 -5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -10.526 -8.053 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -9.242 -8.602 -5.033 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.756 -6.824 -4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.434 -5.612 -2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -9.471 -5.204 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -10.064 -6.314 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -7.418 -7.855 -1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -9.012 -8.636 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -7.713 -9.079 -3.180 1.00 0.00 H new ATOM 1710 N VAL A 118 -8.116 -7.186 -6.899 1.00 0.00 N ATOM 1711 CA VAL A 118 -6.848 -6.848 -7.538 1.00 0.00 C ATOM 1712 C VAL A 118 -7.055 -6.298 -8.948 1.00 0.00 C ATOM 1713 O VAL A 118 -6.142 -5.726 -9.542 1.00 0.00 O ATOM 1714 CB VAL A 118 -5.897 -8.064 -7.590 1.00 0.00 C ATOM 1715 CG1 VAL A 118 -5.597 -8.563 -6.185 1.00 0.00 C ATOM 1716 CG2 VAL A 118 -6.483 -9.177 -8.446 1.00 0.00 C ATOM 0 H VAL A 118 -8.305 -8.187 -6.842 1.00 0.00 H new ATOM 0 HA VAL A 118 -6.390 -6.071 -6.926 1.00 0.00 H new ATOM 0 HB VAL A 118 -4.961 -7.747 -8.050 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -4.926 -9.420 -6.239 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -5.124 -7.767 -5.610 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -6.526 -8.860 -5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -5.794 -10.021 -8.466 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -7.436 -9.496 -8.025 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -6.639 -8.812 -9.461 1.00 0.00 H new ATOM 1726 N ALA A 119 -8.269 -6.441 -9.462 1.00 0.00 N ATOM 1727 CA ALA A 119 -8.586 -5.979 -10.805 1.00 0.00 C ATOM 1728 C ALA A 119 -8.613 -4.455 -10.874 1.00 0.00 C ATOM 1729 O ALA A 119 -8.614 -3.876 -11.958 1.00 0.00 O ATOM 1730 CB ALA A 119 -9.916 -6.555 -11.256 1.00 0.00 C ATOM 0 H ALA A 119 -9.050 -6.873 -8.969 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.803 -6.329 -11.478 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.143 -6.202 -12.262 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.859 -7.644 -11.257 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -10.702 -6.233 -10.573 1.00 0.00 H new ATOM 1736 N ASN A 120 -8.620 -3.809 -9.711 1.00 0.00 N ATOM 1737 CA ASN A 120 -8.662 -2.350 -9.648 1.00 0.00 C ATOM 1738 C ASN A 120 -7.266 -1.745 -9.786 1.00 0.00 C ATOM 1739 O ASN A 120 -7.089 -0.533 -9.657 1.00 0.00 O ATOM 1740 CB ASN A 120 -9.288 -1.873 -8.333 1.00 0.00 C ATOM 1741 CG ASN A 120 -10.728 -2.320 -8.162 1.00 0.00 C ATOM 1742 OD1 ASN A 120 -11.655 -1.688 -8.669 1.00 0.00 O ATOM 1743 ND2 ASN A 120 -10.928 -3.393 -7.414 1.00 0.00 N ATOM 0 H ASN A 120 -8.597 -4.271 -8.802 1.00 0.00 H new ATOM 0 HA ASN A 120 -9.277 -2.014 -10.483 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -8.696 -2.249 -7.499 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -9.244 -0.785 -8.291 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -11.877 -3.724 -7.240 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -10.133 -3.889 -7.011 1.00 0.00 H new ATOM 1750 N GLY A 121 -6.278 -2.588 -10.052 1.00 0.00 N ATOM 1751 CA GLY A 121 -4.919 -2.107 -10.212 1.00 0.00 C ATOM 1752 C GLY A 121 -3.998 -2.601 -9.116 1.00 0.00 C ATOM 1753 O GLY A 121 -2.887 -2.094 -8.945 1.00 0.00 O ATOM 0 H GLY A 121 -6.392 -3.596 -10.160 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -4.534 -2.430 -11.179 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -4.921 -1.017 -10.217 1.00 0.00 H new ATOM 1757 N GLY A 122 -4.461 -3.597 -8.376 1.00 0.00 N ATOM 1758 CA GLY A 122 -3.668 -4.161 -7.307 1.00 0.00 C ATOM 1759 C GLY A 122 -2.694 -5.215 -7.803 1.00 0.00 C ATOM 1760 O GLY A 122 -3.071 -6.115 -8.552 1.00 0.00 O ATOM 0 H GLY A 122 -5.378 -4.026 -8.499 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -3.115 -3.364 -6.809 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -4.329 -4.603 -6.562 1.00 0.00 H new ATOM 1764 N LYS A 123 -1.442 -5.094 -7.395 1.00 0.00 N ATOM 1765 CA LYS A 123 -0.409 -6.047 -7.764 1.00 0.00 C ATOM 1766 C LYS A 123 -0.262 -7.087 -6.664 1.00 0.00 C ATOM 1767 O LYS A 123 -0.315 -6.758 -5.479 1.00 0.00 O ATOM 1768 CB LYS A 123 0.927 -5.323 -7.975 1.00 0.00 C ATOM 1769 CG LYS A 123 1.633 -5.682 -9.277 1.00 0.00 C ATOM 1770 CD LYS A 123 2.159 -7.115 -9.297 1.00 0.00 C ATOM 1771 CE LYS A 123 3.497 -7.262 -8.575 1.00 0.00 C ATOM 1772 NZ LYS A 123 3.348 -7.390 -7.100 1.00 0.00 N ATOM 0 H LYS A 123 -1.113 -4.334 -6.800 1.00 0.00 H new ATOM 0 HA LYS A 123 -0.693 -6.539 -8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 123 0.752 -4.247 -7.954 1.00 0.00 H new ATOM 0 HB3 LYS A 123 1.589 -5.554 -7.140 1.00 0.00 H new ATOM 0 HG2 LYS A 123 0.942 -5.543 -10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 123 2.464 -4.994 -9.435 1.00 0.00 H new ATOM 0 HD2 LYS A 123 1.425 -7.773 -8.832 1.00 0.00 H new ATOM 0 HD3 LYS A 123 2.271 -7.442 -10.331 1.00 0.00 H new ATOM 0 HE2 LYS A 123 4.017 -8.139 -8.960 1.00 0.00 H new ATOM 0 HE3 LYS A 123 4.122 -6.397 -8.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 4.045 -8.072 -6.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 3.506 -6.464 -6.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 2.389 -7.723 -6.876 1.00 0.00 H new ATOM 1786 N LEU A 124 -0.091 -8.335 -7.054 1.00 0.00 N ATOM 1787 CA LEU A 124 0.112 -9.409 -6.099 1.00 0.00 C ATOM 1788 C LEU A 124 1.266 -10.293 -6.556 1.00 0.00 C ATOM 1789 O LEU A 124 1.617 -10.285 -7.736 1.00 0.00 O ATOM 1790 CB LEU A 124 -1.189 -10.230 -5.855 1.00 0.00 C ATOM 1791 CG LEU A 124 -1.985 -10.785 -7.071 1.00 0.00 C ATOM 1792 CD1 LEU A 124 -2.583 -9.672 -7.922 1.00 0.00 C ATOM 1793 CD2 LEU A 124 -1.144 -11.719 -7.931 1.00 0.00 C ATOM 0 H LEU A 124 -0.089 -8.632 -8.030 1.00 0.00 H new ATOM 0 HA LEU A 124 0.373 -8.968 -5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.926 -11.078 -5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.869 -9.601 -5.279 1.00 0.00 H new ATOM 0 HG LEU A 124 -2.807 -11.366 -6.653 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -3.129 -10.107 -8.759 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -3.264 -9.076 -7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -1.784 -9.035 -8.302 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -1.742 -12.081 -8.767 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.276 -11.180 -8.312 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -0.811 -12.565 -7.330 1.00 0.00 H new ATOM 1805 N PRO A 125 1.908 -11.013 -5.630 1.00 0.00 N ATOM 1806 CA PRO A 125 2.941 -11.983 -5.976 1.00 0.00 C ATOM 1807 C PRO A 125 2.329 -13.204 -6.652 1.00 0.00 C ATOM 1808 O PRO A 125 1.131 -13.459 -6.502 1.00 0.00 O ATOM 1809 CB PRO A 125 3.563 -12.368 -4.622 1.00 0.00 C ATOM 1810 CG PRO A 125 3.015 -11.394 -3.633 1.00 0.00 C ATOM 1811 CD PRO A 125 1.694 -10.940 -4.181 1.00 0.00 C ATOM 0 HA PRO A 125 3.674 -11.582 -6.676 1.00 0.00 H new ATOM 0 HB2 PRO A 125 3.304 -13.391 -4.349 1.00 0.00 H new ATOM 0 HB3 PRO A 125 4.651 -12.315 -4.662 1.00 0.00 H new ATOM 0 HG2 PRO A 125 2.892 -11.860 -2.655 1.00 0.00 H new ATOM 0 HG3 PRO A 125 3.692 -10.550 -3.501 1.00 0.00 H new ATOM 0 HD2 PRO A 125 0.878 -11.586 -3.859 1.00 0.00 H new ATOM 0 HD3 PRO A 125 1.447 -9.929 -3.858 1.00 0.00 H new ATOM 1819 N PRO A 126 3.133 -13.977 -7.398 1.00 0.00 N ATOM 1820 CA PRO A 126 2.662 -15.170 -8.123 1.00 0.00 C ATOM 1821 C PRO A 126 2.252 -16.319 -7.195 1.00 0.00 C ATOM 1822 O PRO A 126 2.414 -17.491 -7.536 1.00 0.00 O ATOM 1823 CB PRO A 126 3.875 -15.584 -8.968 1.00 0.00 C ATOM 1824 CG PRO A 126 4.803 -14.417 -8.937 1.00 0.00 C ATOM 1825 CD PRO A 126 4.565 -13.744 -7.621 1.00 0.00 C ATOM 0 HA PRO A 126 1.767 -14.947 -8.704 1.00 0.00 H new ATOM 0 HB2 PRO A 126 4.352 -16.475 -8.559 1.00 0.00 H new ATOM 0 HB3 PRO A 126 3.578 -15.822 -9.990 1.00 0.00 H new ATOM 0 HG2 PRO A 126 5.840 -14.739 -9.030 1.00 0.00 H new ATOM 0 HG3 PRO A 126 4.605 -13.737 -9.766 1.00 0.00 H new ATOM 0 HD2 PRO A 126 5.175 -14.177 -6.828 1.00 0.00 H new ATOM 0 HD3 PRO A 126 4.802 -12.681 -7.661 1.00 0.00 H new