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 69 SER OG : rot 176:sc= -0.275 USER MOD Set 1.2: A 106 ASN : amide:sc= -1.49 K(o=-1.8,f=-12!) USER MOD Single : A 2 SER OG : rot -87:sc= 1.05 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl -171:sc= 0 (180deg=-0.0476) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 29:sc= 0.104 USER MOD Single : A 55 LYS NZ :NH3+ -169:sc= 1.17 (180deg=1.11) USER MOD Single : A 58 LYS NZ :NH3+ -136:sc= -0.563 (180deg=-2.63!) USER MOD Single : A 60 LYS NZ :NH3+ -144:sc= 1.04 (180deg=0.123) USER MOD Single : A 63 LYS NZ :NH3+ -139:sc= 1.16 (180deg=0.562) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -112:sc= -1.78 (180deg=-4.02!) USER MOD Single : A 75 LYS NZ :NH3+ -178:sc= 1.26 (180deg=1.24) USER MOD Single : A 81 SER OG : rot 7:sc= 1.03 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 168:sc= 1.21 (180deg=1) 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 -153:sc= -0.305 (180deg=-1.16) USER MOD Single : A 110 HIS : no HD1:sc= 0.358 K(o=0.36,f=-2.2!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.13) USER MOD Single : A 114 MET CE :methyl 156:sc= -0.117 (180deg=-0.746) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= 1.48 K(o=1.5,f=-0.083) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 -21.315 -5.315 1.347 1.00 0.00 N ATOM 21 CA SER A 2 -20.565 -6.027 0.322 1.00 0.00 C ATOM 22 C SER A 2 -19.096 -6.066 0.734 1.00 0.00 C ATOM 23 O SER A 2 -18.376 -5.084 0.558 1.00 0.00 O ATOM 24 CB SER A 2 -20.709 -5.322 -1.036 1.00 0.00 C ATOM 25 OG SER A 2 -22.061 -4.998 -1.318 1.00 0.00 O ATOM 0 HA SER A 2 -20.954 -7.040 0.223 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.108 -4.412 -1.039 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.317 -5.966 -1.824 1.00 0.00 H new ATOM 0 HG SER A 2 -22.495 -5.759 -1.757 1.00 0.00 H new ATOM 31 N ILE A 3 -18.668 -7.192 1.299 1.00 0.00 N ATOM 32 CA ILE A 3 -17.336 -7.304 1.897 1.00 0.00 C ATOM 33 C ILE A 3 -16.213 -6.954 0.922 1.00 0.00 C ATOM 34 O ILE A 3 -15.261 -6.273 1.301 1.00 0.00 O ATOM 35 CB ILE A 3 -17.091 -8.706 2.488 1.00 0.00 C ATOM 36 CG1 ILE A 3 -18.126 -8.992 3.576 1.00 0.00 C ATOM 37 CG2 ILE A 3 -15.674 -8.817 3.038 1.00 0.00 C ATOM 38 CD1 ILE A 3 -17.846 -10.250 4.359 1.00 0.00 C ATOM 0 H ILE A 3 -19.225 -8.044 1.356 1.00 0.00 H new ATOM 0 HA ILE A 3 -17.317 -6.570 2.703 1.00 0.00 H new ATOM 0 HB ILE A 3 -17.198 -9.450 1.699 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -18.162 -8.147 4.263 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -19.111 -9.071 3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -15.521 -9.814 3.451 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -14.957 -8.643 2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -15.529 -8.074 3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -18.621 -10.389 5.113 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -17.839 -11.105 3.683 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -16.875 -10.166 4.847 1.00 0.00 H new ATOM 50 N PHE A 4 -16.325 -7.385 -0.333 1.00 0.00 N ATOM 51 CA PHE A 4 -15.282 -7.096 -1.322 1.00 0.00 C ATOM 52 C PHE A 4 -15.119 -5.589 -1.530 1.00 0.00 C ATOM 53 O PHE A 4 -14.049 -5.112 -1.897 1.00 0.00 O ATOM 54 CB PHE A 4 -15.558 -7.805 -2.657 1.00 0.00 C ATOM 55 CG PHE A 4 -16.921 -7.549 -3.245 1.00 0.00 C ATOM 56 CD1 PHE A 4 -17.207 -6.355 -3.889 1.00 0.00 C ATOM 57 CD2 PHE A 4 -17.911 -8.512 -3.164 1.00 0.00 C ATOM 58 CE1 PHE A 4 -18.455 -6.125 -4.433 1.00 0.00 C ATOM 59 CE2 PHE A 4 -19.161 -8.290 -3.707 1.00 0.00 C ATOM 60 CZ PHE A 4 -19.434 -7.094 -4.344 1.00 0.00 C ATOM 0 H PHE A 4 -17.113 -7.927 -0.688 1.00 0.00 H new ATOM 0 HA PHE A 4 -14.344 -7.486 -0.927 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -14.803 -7.494 -3.379 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -15.437 -8.879 -2.513 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -16.444 -5.595 -3.966 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -17.703 -9.450 -2.670 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -18.665 -5.188 -4.928 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -19.925 -9.050 -3.634 1.00 0.00 H new ATOM 0 HZ PHE A 4 -20.410 -6.918 -4.771 1.00 0.00 H new ATOM 70 N GLY A 5 -16.182 -4.845 -1.259 1.00 0.00 N ATOM 71 CA GLY A 5 -16.125 -3.402 -1.372 1.00 0.00 C ATOM 72 C GLY A 5 -15.674 -2.753 -0.081 1.00 0.00 C ATOM 73 O GLY A 5 -15.198 -1.621 -0.077 1.00 0.00 O ATOM 0 H GLY A 5 -17.085 -5.216 -0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -15.441 -3.127 -2.175 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -17.108 -3.020 -1.646 1.00 0.00 H new ATOM 77 N LYS A 6 -15.804 -3.486 1.015 1.00 0.00 N ATOM 78 CA LYS A 6 -15.417 -2.981 2.321 1.00 0.00 C ATOM 79 C LYS A 6 -13.908 -3.079 2.489 1.00 0.00 C ATOM 80 O LYS A 6 -13.262 -2.153 2.979 1.00 0.00 O ATOM 81 CB LYS A 6 -16.114 -3.772 3.433 1.00 0.00 C ATOM 82 CG LYS A 6 -17.635 -3.701 3.395 1.00 0.00 C ATOM 83 CD LYS A 6 -18.258 -4.608 4.448 1.00 0.00 C ATOM 84 CE LYS A 6 -17.929 -4.148 5.860 1.00 0.00 C ATOM 85 NZ LYS A 6 -18.722 -2.958 6.259 1.00 0.00 N ATOM 0 H LYS A 6 -16.176 -4.436 1.024 1.00 0.00 H new ATOM 0 HA LYS A 6 -15.721 -1.937 2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -15.809 -4.816 3.366 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -15.769 -3.401 4.398 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -17.957 -2.673 3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -17.990 -3.991 2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -19.340 -4.628 4.316 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -17.901 -5.628 4.306 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -18.120 -4.962 6.560 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -16.867 -3.914 5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -18.466 -2.679 7.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -18.521 -2.173 5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -19.736 -3.188 6.222 1.00 0.00 H new ATOM 99 N ILE A 7 -13.349 -4.206 2.064 1.00 0.00 N ATOM 100 CA ILE A 7 -11.920 -4.441 2.208 1.00 0.00 C ATOM 101 C ILE A 7 -11.112 -3.568 1.248 1.00 0.00 C ATOM 102 O ILE A 7 -10.033 -3.086 1.593 1.00 0.00 O ATOM 103 CB ILE A 7 -11.542 -5.930 2.006 1.00 0.00 C ATOM 104 CG1 ILE A 7 -11.998 -6.437 0.634 1.00 0.00 C ATOM 105 CG2 ILE A 7 -12.143 -6.778 3.116 1.00 0.00 C ATOM 106 CD1 ILE A 7 -11.501 -7.830 0.306 1.00 0.00 C ATOM 0 H ILE A 7 -13.862 -4.967 1.619 1.00 0.00 H new ATOM 0 HA ILE A 7 -11.670 -4.168 3.233 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.456 -6.014 2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -13.087 -6.431 0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -11.650 -5.746 -0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -11.871 -7.822 2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -11.761 -6.440 4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -13.228 -6.680 3.102 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.863 -8.123 -0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.411 -7.838 0.310 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.871 -8.533 1.052 1.00 0.00 H new ATOM 118 N MET A 8 -11.652 -3.336 0.052 1.00 0.00 N ATOM 119 CA MET A 8 -10.948 -2.551 -0.958 1.00 0.00 C ATOM 120 C MET A 8 -10.861 -1.088 -0.544 1.00 0.00 C ATOM 121 O MET A 8 -9.980 -0.360 -0.997 1.00 0.00 O ATOM 122 CB MET A 8 -11.619 -2.689 -2.335 1.00 0.00 C ATOM 123 CG MET A 8 -12.983 -2.024 -2.472 1.00 0.00 C ATOM 124 SD MET A 8 -12.880 -0.258 -2.826 1.00 0.00 S ATOM 125 CE MET A 8 -14.614 0.167 -2.962 1.00 0.00 C ATOM 0 H MET A 8 -12.568 -3.678 -0.239 1.00 0.00 H new ATOM 0 HA MET A 8 -9.934 -2.943 -1.038 1.00 0.00 H new ATOM 0 HB2 MET A 8 -10.952 -2.268 -3.088 1.00 0.00 H new ATOM 0 HB3 MET A 8 -11.727 -3.750 -2.562 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.541 -2.516 -3.269 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.546 -2.171 -1.550 1.00 0.00 H new ATOM 0 HE1 MET A 8 -14.711 1.187 -3.335 1.00 0.00 H new ATOM 0 HE2 MET A 8 -15.104 -0.520 -3.652 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.085 0.093 -1.982 1.00 0.00 H new ATOM 135 N SER A 9 -11.760 -0.674 0.345 1.00 0.00 N ATOM 136 CA SER A 9 -11.797 0.704 0.812 1.00 0.00 C ATOM 137 C SER A 9 -10.523 1.034 1.585 1.00 0.00 C ATOM 138 O SER A 9 -10.061 2.174 1.585 1.00 0.00 O ATOM 139 CB SER A 9 -13.036 0.929 1.689 1.00 0.00 C ATOM 140 OG SER A 9 -13.117 2.268 2.155 1.00 0.00 O ATOM 0 H SER A 9 -12.473 -1.277 0.756 1.00 0.00 H new ATOM 0 HA SER A 9 -11.857 1.369 -0.050 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.933 0.688 1.119 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.007 0.249 2.540 1.00 0.00 H new ATOM 0 HG SER A 9 -13.919 2.374 2.708 1.00 0.00 H new ATOM 146 N ALA A 10 -9.952 0.023 2.229 1.00 0.00 N ATOM 147 CA ALA A 10 -8.722 0.201 2.986 1.00 0.00 C ATOM 148 C ALA A 10 -7.503 -0.045 2.104 1.00 0.00 C ATOM 149 O ALA A 10 -6.519 0.689 2.172 1.00 0.00 O ATOM 150 CB ALA A 10 -8.704 -0.727 4.192 1.00 0.00 C ATOM 0 H ALA A 10 -10.322 -0.927 2.241 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.683 1.231 3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.778 -0.583 4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.554 -0.502 4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.768 -1.762 3.856 1.00 0.00 H new ATOM 156 N ILE A 11 -7.591 -1.069 1.264 1.00 0.00 N ATOM 157 CA ILE A 11 -6.483 -1.457 0.396 1.00 0.00 C ATOM 158 C ILE A 11 -6.184 -0.381 -0.649 1.00 0.00 C ATOM 159 O ILE A 11 -5.038 0.021 -0.830 1.00 0.00 O ATOM 160 CB ILE A 11 -6.787 -2.794 -0.321 1.00 0.00 C ATOM 161 CG1 ILE A 11 -7.045 -3.903 0.706 1.00 0.00 C ATOM 162 CG2 ILE A 11 -5.640 -3.186 -1.244 1.00 0.00 C ATOM 163 CD1 ILE A 11 -7.438 -5.237 0.092 1.00 0.00 C ATOM 0 H ILE A 11 -8.424 -1.650 1.164 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.607 -1.578 1.033 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.684 -2.660 -0.926 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.147 -4.042 1.308 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.836 -3.580 1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.876 -4.129 -1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.496 -2.410 -1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.726 -3.300 -0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.603 -5.968 0.884 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.354 -5.116 -0.486 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.639 -5.586 -0.563 1.00 0.00 H new ATOM 175 N PHE A 12 -7.220 0.083 -1.334 1.00 0.00 N ATOM 176 CA PHE A 12 -7.047 1.060 -2.404 1.00 0.00 C ATOM 177 C PHE A 12 -7.240 2.479 -1.885 1.00 0.00 C ATOM 178 O PHE A 12 -7.112 3.451 -2.635 1.00 0.00 O ATOM 179 CB PHE A 12 -8.020 0.769 -3.551 1.00 0.00 C ATOM 180 CG PHE A 12 -7.771 -0.552 -4.217 1.00 0.00 C ATOM 181 CD1 PHE A 12 -6.869 -0.653 -5.261 1.00 0.00 C ATOM 182 CD2 PHE A 12 -8.426 -1.694 -3.788 1.00 0.00 C ATOM 183 CE1 PHE A 12 -6.625 -1.868 -5.867 1.00 0.00 C ATOM 184 CE2 PHE A 12 -8.189 -2.912 -4.391 1.00 0.00 C ATOM 185 CZ PHE A 12 -7.284 -3.000 -5.431 1.00 0.00 C ATOM 0 H PHE A 12 -8.186 -0.199 -1.170 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.028 0.977 -2.781 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -9.040 0.788 -3.167 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.944 1.563 -4.294 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.350 0.229 -5.605 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.131 -1.631 -2.972 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.919 -1.934 -6.682 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.710 -3.795 -4.051 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.092 -3.953 -5.902 1.00 0.00 H new ATOM 195 N GLY A 13 -7.517 2.595 -0.594 1.00 0.00 N ATOM 196 CA GLY A 13 -7.727 3.895 0.013 1.00 0.00 C ATOM 197 C GLY A 13 -6.485 4.400 0.714 1.00 0.00 C ATOM 198 O GLY A 13 -6.562 5.264 1.588 1.00 0.00 O ATOM 0 H GLY A 13 -7.601 1.807 0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.026 4.609 -0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.547 3.833 0.728 1.00 0.00 H new ATOM 572 N SER A 46 0.435 1.113 -9.330 1.00 0.00 N ATOM 573 CA SER A 46 -0.049 -0.225 -9.039 1.00 0.00 C ATOM 574 C SER A 46 -0.158 -0.415 -7.533 1.00 0.00 C ATOM 575 O SER A 46 0.790 -0.143 -6.794 1.00 0.00 O ATOM 576 CB SER A 46 0.891 -1.276 -9.630 1.00 0.00 C ATOM 577 OG SER A 46 1.062 -1.081 -11.026 1.00 0.00 O ATOM 0 HA SER A 46 -1.033 -0.347 -9.491 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.859 -1.225 -9.131 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.490 -2.272 -9.445 1.00 0.00 H new ATOM 0 HG SER A 46 0.960 -0.130 -11.238 1.00 0.00 H new ATOM 583 N ILE A 47 -1.316 -0.865 -7.085 1.00 0.00 N ATOM 584 CA ILE A 47 -1.537 -1.120 -5.673 1.00 0.00 C ATOM 585 C ILE A 47 -1.109 -2.541 -5.334 1.00 0.00 C ATOM 586 O ILE A 47 -1.787 -3.498 -5.684 1.00 0.00 O ATOM 587 CB ILE A 47 -3.020 -0.916 -5.290 1.00 0.00 C ATOM 588 CG1 ILE A 47 -3.430 0.548 -5.501 1.00 0.00 C ATOM 589 CG2 ILE A 47 -3.272 -1.342 -3.850 1.00 0.00 C ATOM 590 CD1 ILE A 47 -2.644 1.528 -4.655 1.00 0.00 C ATOM 0 H ILE A 47 -2.120 -1.062 -7.681 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.939 -0.409 -5.103 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.631 -1.544 -5.939 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.301 0.804 -6.553 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.491 0.655 -5.275 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.323 -1.189 -3.604 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.022 -2.396 -3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.652 -0.746 -3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.989 2.542 -4.858 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.792 1.298 -3.600 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.584 1.450 -4.898 1.00 0.00 H new ATOM 602 N ASP A 48 0.027 -2.677 -4.675 1.00 0.00 N ATOM 603 CA ASP A 48 0.553 -3.992 -4.347 1.00 0.00 C ATOM 604 C ASP A 48 -0.158 -4.525 -3.111 1.00 0.00 C ATOM 605 O ASP A 48 0.098 -4.078 -1.992 1.00 0.00 O ATOM 606 CB ASP A 48 2.062 -3.924 -4.110 1.00 0.00 C ATOM 607 CG ASP A 48 2.749 -5.259 -4.338 1.00 0.00 C ATOM 608 OD1 ASP A 48 2.276 -6.279 -3.802 1.00 0.00 O ATOM 609 OD2 ASP A 48 3.780 -5.284 -5.048 1.00 0.00 O ATOM 0 H ASP A 48 0.602 -1.897 -4.357 1.00 0.00 H new ATOM 0 HA ASP A 48 0.375 -4.668 -5.183 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.497 -3.177 -4.774 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.251 -3.592 -3.089 1.00 0.00 H new ATOM 614 N VAL A 49 -1.062 -5.470 -3.322 1.00 0.00 N ATOM 615 CA VAL A 49 -1.922 -5.961 -2.252 1.00 0.00 C ATOM 616 C VAL A 49 -1.167 -6.911 -1.321 1.00 0.00 C ATOM 617 O VAL A 49 -1.574 -7.130 -0.176 1.00 0.00 O ATOM 618 CB VAL A 49 -3.167 -6.682 -2.827 1.00 0.00 C ATOM 619 CG1 VAL A 49 -4.151 -7.051 -1.725 1.00 0.00 C ATOM 620 CG2 VAL A 49 -3.843 -5.819 -3.882 1.00 0.00 C ATOM 0 H VAL A 49 -1.220 -5.914 -4.226 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.246 -5.093 -1.677 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.831 -7.607 -3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.013 -7.555 -2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.665 -7.716 -1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.480 -6.147 -1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.715 -6.341 -4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.156 -4.876 -3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.143 -5.621 -4.694 1.00 0.00 H new ATOM 630 N ALA A 50 -0.054 -7.450 -1.808 1.00 0.00 N ATOM 631 CA ALA A 50 0.712 -8.440 -1.060 1.00 0.00 C ATOM 632 C ALA A 50 1.173 -7.901 0.300 1.00 0.00 C ATOM 633 O ALA A 50 0.784 -8.444 1.331 1.00 0.00 O ATOM 634 CB ALA A 50 1.888 -8.956 -1.884 1.00 0.00 C ATOM 0 H ALA A 50 0.338 -7.217 -2.720 1.00 0.00 H new ATOM 0 HA ALA A 50 0.049 -9.281 -0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.443 -9.693 -1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.516 -9.419 -2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.546 -8.125 -2.140 1.00 0.00 H new ATOM 640 N PRO A 51 1.983 -6.816 0.350 1.00 0.00 N ATOM 641 CA PRO A 51 2.489 -6.285 1.620 1.00 0.00 C ATOM 642 C PRO A 51 1.372 -5.763 2.516 1.00 0.00 C ATOM 643 O PRO A 51 1.451 -5.870 3.738 1.00 0.00 O ATOM 644 CB PRO A 51 3.415 -5.140 1.197 1.00 0.00 C ATOM 645 CG PRO A 51 2.949 -4.753 -0.161 1.00 0.00 C ATOM 646 CD PRO A 51 2.458 -6.019 -0.799 1.00 0.00 C ATOM 0 HA PRO A 51 2.990 -7.055 2.206 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.349 -4.302 1.891 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.457 -5.460 1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.154 -4.009 -0.105 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.759 -4.311 -0.741 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.657 -5.825 -1.513 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.253 -6.530 -1.342 1.00 0.00 H new ATOM 654 N ILE A 52 0.324 -5.224 1.898 1.00 0.00 N ATOM 655 CA ILE A 52 -0.786 -4.643 2.640 1.00 0.00 C ATOM 656 C ILE A 52 -1.435 -5.686 3.543 1.00 0.00 C ATOM 657 O ILE A 52 -1.705 -5.421 4.712 1.00 0.00 O ATOM 658 CB ILE A 52 -1.847 -4.039 1.694 1.00 0.00 C ATOM 659 CG1 ILE A 52 -1.223 -2.933 0.836 1.00 0.00 C ATOM 660 CG2 ILE A 52 -3.029 -3.491 2.488 1.00 0.00 C ATOM 661 CD1 ILE A 52 -2.194 -2.289 -0.131 1.00 0.00 C ATOM 0 H ILE A 52 0.222 -5.179 0.884 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.379 -3.840 3.255 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.213 -4.829 1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.814 -2.164 1.492 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.387 -3.350 0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.764 -3.070 1.802 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.487 -4.297 3.061 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.681 -2.714 3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.680 -1.517 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.585 -3.045 -0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.018 -1.841 0.425 1.00 0.00 H new ATOM 673 N LEU A 53 -1.652 -6.881 3.011 1.00 0.00 N ATOM 674 CA LEU A 53 -2.303 -7.937 3.773 1.00 0.00 C ATOM 675 C LEU A 53 -1.287 -8.803 4.508 1.00 0.00 C ATOM 676 O LEU A 53 -1.574 -9.319 5.584 1.00 0.00 O ATOM 677 CB LEU A 53 -3.175 -8.804 2.863 1.00 0.00 C ATOM 678 CG LEU A 53 -4.637 -8.360 2.740 1.00 0.00 C ATOM 679 CD1 LEU A 53 -4.739 -6.937 2.220 1.00 0.00 C ATOM 680 CD2 LEU A 53 -5.397 -9.308 1.833 1.00 0.00 C ATOM 0 H LEU A 53 -1.389 -7.142 2.061 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.939 -7.458 4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.731 -8.817 1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.154 -9.828 3.235 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.082 -8.386 3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.788 -6.652 2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.228 -6.261 2.906 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.274 -6.875 1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.434 -8.982 1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.940 -9.309 0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.364 -10.315 2.249 1.00 0.00 H new ATOM 692 N ASP A 54 -0.101 -8.951 3.928 1.00 0.00 N ATOM 693 CA ASP A 54 0.952 -9.779 4.520 1.00 0.00 C ATOM 694 C ASP A 54 1.374 -9.227 5.874 1.00 0.00 C ATOM 695 O ASP A 54 1.645 -9.980 6.812 1.00 0.00 O ATOM 696 CB ASP A 54 2.161 -9.853 3.585 1.00 0.00 C ATOM 697 CG ASP A 54 3.185 -10.881 4.026 1.00 0.00 C ATOM 698 OD1 ASP A 54 3.068 -12.050 3.610 1.00 0.00 O ATOM 699 OD2 ASP A 54 4.118 -10.519 4.774 1.00 0.00 O ATOM 0 H ASP A 54 0.159 -8.509 3.046 1.00 0.00 H new ATOM 0 HA ASP A 54 0.554 -10.784 4.663 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.821 -10.095 2.578 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.636 -8.873 3.535 1.00 0.00 H new ATOM 704 N LYS A 55 1.414 -7.906 5.982 1.00 0.00 N ATOM 705 CA LYS A 55 1.781 -7.267 7.234 1.00 0.00 C ATOM 706 C LYS A 55 0.541 -7.065 8.093 1.00 0.00 C ATOM 707 O LYS A 55 0.626 -6.993 9.318 1.00 0.00 O ATOM 708 CB LYS A 55 2.483 -5.929 6.982 1.00 0.00 C ATOM 709 CG LYS A 55 3.550 -5.994 5.898 1.00 0.00 C ATOM 710 CD LYS A 55 4.493 -7.167 6.104 1.00 0.00 C ATOM 711 CE LYS A 55 5.213 -7.518 4.814 1.00 0.00 C ATOM 712 NZ LYS A 55 6.030 -8.751 4.946 1.00 0.00 N ATOM 0 H LYS A 55 1.198 -7.261 5.222 1.00 0.00 H new ATOM 0 HA LYS A 55 2.479 -7.916 7.763 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.738 -5.185 6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.941 -5.588 7.911 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.072 -6.079 4.922 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.121 -5.065 5.894 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.222 -6.921 6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.932 -8.032 6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.482 -7.652 4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.856 -6.688 4.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.645 -8.851 4.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.616 -8.689 5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.403 -9.578 5.014 1.00 0.00 H new ATOM 726 N ALA A 56 -0.620 -7.002 7.439 1.00 0.00 N ATOM 727 CA ALA A 56 -1.895 -6.891 8.142 1.00 0.00 C ATOM 728 C ALA A 56 -2.163 -8.149 8.954 1.00 0.00 C ATOM 729 O ALA A 56 -2.910 -8.121 9.928 1.00 0.00 O ATOM 730 CB ALA A 56 -3.037 -6.642 7.168 1.00 0.00 C ATOM 0 H ALA A 56 -0.702 -7.026 6.423 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.833 -6.039 8.819 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.974 -6.564 7.719 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.856 -5.714 6.625 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.100 -7.470 6.461 1.00 0.00 H new ATOM 736 N VAL A 57 -1.535 -9.247 8.548 1.00 0.00 N ATOM 737 CA VAL A 57 -1.611 -10.495 9.294 1.00 0.00 C ATOM 738 C VAL A 57 -1.074 -10.277 10.704 1.00 0.00 C ATOM 739 O VAL A 57 -1.675 -10.692 11.695 1.00 0.00 O ATOM 740 CB VAL A 57 -0.802 -11.614 8.592 1.00 0.00 C ATOM 741 CG1 VAL A 57 -0.749 -12.869 9.450 1.00 0.00 C ATOM 742 CG2 VAL A 57 -1.396 -11.927 7.228 1.00 0.00 C ATOM 0 H VAL A 57 -0.966 -9.297 7.703 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.654 -10.808 9.340 1.00 0.00 H new ATOM 0 HB VAL A 57 0.218 -11.256 8.453 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.175 -13.639 8.934 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.272 -12.639 10.403 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.762 -13.230 9.629 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.814 -12.715 6.750 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.427 -12.259 7.348 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.373 -11.032 6.607 1.00 0.00 H new ATOM 752 N LYS A 58 0.039 -9.564 10.774 1.00 0.00 N ATOM 753 CA LYS A 58 0.708 -9.284 12.032 1.00 0.00 C ATOM 754 C LYS A 58 0.021 -8.127 12.750 1.00 0.00 C ATOM 755 O LYS A 58 0.027 -8.043 13.978 1.00 0.00 O ATOM 756 CB LYS A 58 2.169 -8.945 11.751 1.00 0.00 C ATOM 757 CG LYS A 58 2.834 -9.927 10.800 1.00 0.00 C ATOM 758 CD LYS A 58 4.202 -9.446 10.341 1.00 0.00 C ATOM 759 CE LYS A 58 5.277 -9.653 11.406 1.00 0.00 C ATOM 760 NZ LYS A 58 5.190 -8.664 12.517 1.00 0.00 N ATOM 0 H LYS A 58 0.503 -9.163 9.959 1.00 0.00 H new ATOM 0 HA LYS A 58 0.656 -10.161 12.677 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.229 -7.942 11.329 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.720 -8.929 12.691 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.937 -10.894 11.293 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.194 -10.079 9.931 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.486 -9.978 9.433 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.146 -8.388 10.086 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.188 -10.660 11.814 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.260 -9.584 10.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.143 -8.317 12.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.592 -7.865 12.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.775 -9.119 13.355 1.00 0.00 H new ATOM 774 N ALA A 59 -0.582 -7.239 11.970 1.00 0.00 N ATOM 775 CA ALA A 59 -1.274 -6.081 12.516 1.00 0.00 C ATOM 776 C ALA A 59 -2.640 -6.468 13.074 1.00 0.00 C ATOM 777 O ALA A 59 -3.192 -5.768 13.922 1.00 0.00 O ATOM 778 CB ALA A 59 -1.419 -5.007 11.449 1.00 0.00 C ATOM 0 H ALA A 59 -0.605 -7.300 10.952 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.678 -5.684 13.338 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.938 -4.145 11.868 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.431 -4.702 11.103 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.992 -5.403 10.610 1.00 0.00 H new ATOM 784 N LYS A 60 -3.191 -7.570 12.579 1.00 0.00 N ATOM 785 CA LYS A 60 -4.469 -8.067 13.069 1.00 0.00 C ATOM 786 C LYS A 60 -4.283 -8.708 14.433 1.00 0.00 C ATOM 787 O LYS A 60 -4.899 -8.297 15.419 1.00 0.00 O ATOM 788 CB LYS A 60 -5.067 -9.082 12.090 1.00 0.00 C ATOM 789 CG LYS A 60 -6.505 -9.457 12.412 1.00 0.00 C ATOM 790 CD LYS A 60 -7.430 -8.262 12.251 1.00 0.00 C ATOM 791 CE LYS A 60 -8.864 -8.608 12.604 1.00 0.00 C ATOM 792 NZ LYS A 60 -9.788 -7.482 12.306 1.00 0.00 N ATOM 0 H LYS A 60 -2.773 -8.135 11.840 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.158 -7.227 13.156 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.024 -8.672 11.081 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.455 -9.984 12.094 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.830 -10.264 11.755 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.566 -9.834 13.433 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.085 -7.447 12.888 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.385 -7.904 11.223 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.174 -9.491 12.045 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.928 -8.861 13.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.534 -7.444 13.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.257 -6.588 12.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.220 -7.625 11.371 1.00 0.00 H new ATOM 806 N GLY A 61 -3.429 -9.719 14.485 1.00 0.00 N ATOM 807 CA GLY A 61 -3.093 -10.326 15.757 1.00 0.00 C ATOM 808 C GLY A 61 -3.223 -11.835 15.762 1.00 0.00 C ATOM 809 O GLY A 61 -3.146 -12.459 16.821 1.00 0.00 O ATOM 0 H GLY A 61 -2.965 -10.129 13.674 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.070 -10.057 16.019 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.740 -9.911 16.530 1.00 0.00 H new ATOM 813 N GLU A 62 -3.412 -12.432 14.594 1.00 0.00 N ATOM 814 CA GLU A 62 -3.552 -13.878 14.499 1.00 0.00 C ATOM 815 C GLU A 62 -2.855 -14.407 13.254 1.00 0.00 C ATOM 816 O GLU A 62 -2.521 -13.643 12.349 1.00 0.00 O ATOM 817 CB GLU A 62 -5.031 -14.283 14.493 1.00 0.00 C ATOM 818 CG GLU A 62 -5.838 -13.690 13.346 1.00 0.00 C ATOM 819 CD GLU A 62 -7.290 -14.124 13.373 1.00 0.00 C ATOM 820 OE1 GLU A 62 -7.606 -15.209 12.834 1.00 0.00 O ATOM 821 OE2 GLU A 62 -8.122 -13.390 13.942 1.00 0.00 O ATOM 0 H GLU A 62 -3.472 -11.940 13.702 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.077 -14.320 15.375 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.098 -15.370 14.445 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.483 -13.977 15.436 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.786 -12.602 13.394 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.390 -13.989 12.398 1.00 0.00 H new ATOM 828 N LYS A 63 -2.627 -15.714 13.226 1.00 0.00 N ATOM 829 CA LYS A 63 -2.000 -16.364 12.083 1.00 0.00 C ATOM 830 C LYS A 63 -2.979 -16.379 10.912 1.00 0.00 C ATOM 831 O LYS A 63 -3.995 -17.069 10.958 1.00 0.00 O ATOM 832 CB LYS A 63 -1.595 -17.798 12.464 1.00 0.00 C ATOM 833 CG LYS A 63 -0.411 -18.363 11.684 1.00 0.00 C ATOM 834 CD LYS A 63 -0.739 -18.643 10.221 1.00 0.00 C ATOM 835 CE LYS A 63 -1.873 -19.647 10.070 1.00 0.00 C ATOM 836 NZ LYS A 63 -1.994 -20.138 8.674 1.00 0.00 N ATOM 0 H LYS A 63 -2.869 -16.348 13.987 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.105 -15.815 11.790 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.355 -17.821 13.527 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.454 -18.453 12.317 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.420 -17.659 11.736 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.078 -19.286 12.159 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.013 -17.711 9.727 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.150 -19.022 9.717 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.702 -20.491 10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.811 -19.184 10.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.999 -20.201 8.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.510 -19.479 8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.557 -21.079 8.598 1.00 0.00 H new ATOM 850 N LEU A 64 -2.677 -15.612 9.876 1.00 0.00 N ATOM 851 CA LEU A 64 -3.559 -15.503 8.722 1.00 0.00 C ATOM 852 C LEU A 64 -2.875 -15.998 7.458 1.00 0.00 C ATOM 853 O LEU A 64 -1.696 -15.728 7.225 1.00 0.00 O ATOM 854 CB LEU A 64 -4.020 -14.057 8.532 1.00 0.00 C ATOM 855 CG LEU A 64 -4.845 -13.492 9.683 1.00 0.00 C ATOM 856 CD1 LEU A 64 -5.210 -12.044 9.418 1.00 0.00 C ATOM 857 CD2 LEU A 64 -6.098 -14.323 9.891 1.00 0.00 C ATOM 0 H LEU A 64 -1.826 -15.054 9.810 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.429 -16.132 8.911 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.142 -13.427 8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.609 -13.996 7.617 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.243 -13.534 10.591 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.799 -11.659 10.251 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.300 -11.453 9.313 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.794 -11.978 8.500 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.677 -13.908 10.716 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.699 -14.308 8.982 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.819 -15.350 10.125 1.00 0.00 H new ATOM 869 N GLU A 65 -3.628 -16.733 6.657 1.00 0.00 N ATOM 870 CA GLU A 65 -3.137 -17.264 5.400 1.00 0.00 C ATOM 871 C GLU A 65 -3.980 -16.743 4.238 1.00 0.00 C ATOM 872 O GLU A 65 -4.592 -17.509 3.494 1.00 0.00 O ATOM 873 CB GLU A 65 -3.143 -18.795 5.448 1.00 0.00 C ATOM 874 CG GLU A 65 -4.462 -19.395 5.913 1.00 0.00 C ATOM 875 CD GLU A 65 -4.310 -20.816 6.406 1.00 0.00 C ATOM 876 OE1 GLU A 65 -4.231 -21.738 5.570 1.00 0.00 O ATOM 877 OE2 GLU A 65 -4.253 -21.011 7.639 1.00 0.00 O ATOM 0 H GLU A 65 -4.597 -16.978 6.861 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.112 -16.929 5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.910 -19.180 4.455 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.348 -19.130 6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.876 -18.779 6.711 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.177 -19.374 5.091 1.00 0.00 H new ATOM 884 N TRP A 66 -3.984 -15.421 4.079 1.00 0.00 N ATOM 885 CA TRP A 66 -4.807 -14.751 3.067 1.00 0.00 C ATOM 886 C TRP A 66 -4.463 -15.219 1.653 1.00 0.00 C ATOM 887 O TRP A 66 -5.260 -15.071 0.721 1.00 0.00 O ATOM 888 CB TRP A 66 -4.644 -13.228 3.170 1.00 0.00 C ATOM 889 CG TRP A 66 -3.269 -12.714 2.838 1.00 0.00 C ATOM 890 CD1 TRP A 66 -2.236 -12.511 3.709 1.00 0.00 C ATOM 891 CD2 TRP A 66 -2.787 -12.311 1.545 1.00 0.00 C ATOM 892 NE1 TRP A 66 -1.142 -12.015 3.040 1.00 0.00 N ATOM 893 CE2 TRP A 66 -1.455 -11.885 1.712 1.00 0.00 C ATOM 894 CE3 TRP A 66 -3.352 -12.271 0.266 1.00 0.00 C ATOM 895 CZ2 TRP A 66 -0.682 -11.429 0.646 1.00 0.00 C ATOM 896 CZ3 TRP A 66 -2.583 -11.818 -0.789 1.00 0.00 C ATOM 897 CH2 TRP A 66 -1.262 -11.402 -0.593 1.00 0.00 C ATOM 0 H TRP A 66 -3.421 -14.785 4.643 1.00 0.00 H new ATOM 0 HA TRP A 66 -5.846 -15.018 3.262 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -5.364 -12.754 2.503 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -4.897 -12.918 4.184 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.273 -12.711 4.770 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -0.244 -11.782 3.463 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.372 -12.589 0.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 0.339 -11.108 0.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -3.009 -11.785 -1.781 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.687 -11.052 -1.438 1.00 0.00 H new ATOM 908 N ARG A 67 -3.280 -15.795 1.507 1.00 0.00 N ATOM 909 CA ARG A 67 -2.788 -16.248 0.216 1.00 0.00 C ATOM 910 C ARG A 67 -3.614 -17.428 -0.295 1.00 0.00 C ATOM 911 O ARG A 67 -3.669 -17.684 -1.497 1.00 0.00 O ATOM 912 CB ARG A 67 -1.310 -16.625 0.349 1.00 0.00 C ATOM 913 CG ARG A 67 -0.584 -16.783 -0.977 1.00 0.00 C ATOM 914 CD ARG A 67 0.926 -16.722 -0.788 1.00 0.00 C ATOM 915 NE ARG A 67 1.324 -15.507 -0.075 1.00 0.00 N ATOM 916 CZ ARG A 67 2.542 -15.286 0.422 1.00 0.00 C ATOM 917 NH1 ARG A 67 3.526 -16.146 0.200 1.00 0.00 N ATOM 918 NH2 ARG A 67 2.780 -14.188 1.128 1.00 0.00 N ATOM 0 H ARG A 67 -2.635 -15.961 2.279 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.886 -15.444 -0.513 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.804 -15.861 0.939 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -1.234 -17.559 0.905 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.858 -17.734 -1.434 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.899 -15.997 -1.663 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.261 -17.598 -0.233 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.418 -16.753 -1.760 1.00 0.00 H new ATOM 0 HE ARG A 67 0.621 -14.779 0.051 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.355 -16.985 -0.355 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.454 -15.969 0.584 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.032 -13.514 1.290 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.711 -14.018 1.508 1.00 0.00 H new ATOM 932 N THR A 68 -4.278 -18.126 0.619 1.00 0.00 N ATOM 933 CA THR A 68 -5.098 -19.271 0.250 1.00 0.00 C ATOM 934 C THR A 68 -6.517 -19.149 0.816 1.00 0.00 C ATOM 935 O THR A 68 -7.490 -19.515 0.157 1.00 0.00 O ATOM 936 CB THR A 68 -4.443 -20.598 0.715 1.00 0.00 C ATOM 937 OG1 THR A 68 -5.279 -21.712 0.389 1.00 0.00 O ATOM 938 CG2 THR A 68 -4.166 -20.593 2.211 1.00 0.00 C ATOM 0 H THR A 68 -4.264 -17.919 1.618 1.00 0.00 H new ATOM 0 HA THR A 68 -5.168 -19.283 -0.838 1.00 0.00 H new ATOM 0 HB THR A 68 -3.492 -20.690 0.190 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.850 -22.541 0.688 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.707 -21.539 2.499 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.490 -19.773 2.453 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.102 -20.464 2.754 1.00 0.00 H new ATOM 946 N SER A 69 -6.641 -18.585 2.009 1.00 0.00 N ATOM 947 CA SER A 69 -7.920 -18.525 2.691 1.00 0.00 C ATOM 948 C SER A 69 -8.558 -17.152 2.533 1.00 0.00 C ATOM 949 O SER A 69 -7.949 -16.125 2.847 1.00 0.00 O ATOM 950 CB SER A 69 -7.733 -18.864 4.168 1.00 0.00 C ATOM 951 OG SER A 69 -7.238 -20.185 4.327 1.00 0.00 O ATOM 0 H SER A 69 -5.868 -18.162 2.523 1.00 0.00 H new ATOM 0 HA SER A 69 -8.590 -19.257 2.240 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.041 -18.155 4.623 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.684 -18.762 4.692 1.00 0.00 H new ATOM 0 HG SER A 69 -7.064 -20.357 5.276 1.00 0.00 H new ATOM 957 N ILE A 70 -9.791 -17.140 2.047 1.00 0.00 N ATOM 958 CA ILE A 70 -10.505 -15.897 1.812 1.00 0.00 C ATOM 959 C ILE A 70 -11.045 -15.332 3.124 1.00 0.00 C ATOM 960 O ILE A 70 -11.152 -14.120 3.292 1.00 0.00 O ATOM 961 CB ILE A 70 -11.660 -16.086 0.796 1.00 0.00 C ATOM 962 CG1 ILE A 70 -12.270 -14.735 0.422 1.00 0.00 C ATOM 963 CG2 ILE A 70 -12.731 -17.025 1.338 1.00 0.00 C ATOM 964 CD1 ILE A 70 -11.279 -13.797 -0.237 1.00 0.00 C ATOM 0 H ILE A 70 -10.317 -17.980 1.808 1.00 0.00 H new ATOM 0 HA ILE A 70 -9.796 -15.188 1.385 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.242 -16.542 -0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -13.111 -14.897 -0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -12.667 -14.262 1.320 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -13.526 -17.135 0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -12.290 -18.000 1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -13.145 -16.612 2.258 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.774 -12.856 -0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.449 -13.607 0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.900 -14.252 -1.152 1.00 0.00 H new ATOM 976 N VAL A 71 -11.355 -16.221 4.060 1.00 0.00 N ATOM 977 CA VAL A 71 -11.872 -15.822 5.359 1.00 0.00 C ATOM 978 C VAL A 71 -10.813 -15.048 6.150 1.00 0.00 C ATOM 979 O VAL A 71 -11.134 -14.128 6.905 1.00 0.00 O ATOM 980 CB VAL A 71 -12.363 -17.051 6.172 1.00 0.00 C ATOM 981 CG1 VAL A 71 -11.257 -18.085 6.337 1.00 0.00 C ATOM 982 CG2 VAL A 71 -12.906 -16.630 7.531 1.00 0.00 C ATOM 0 H VAL A 71 -11.256 -17.229 3.940 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.726 -15.167 5.188 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.174 -17.511 5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -11.633 -18.932 6.910 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.930 -18.428 5.355 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.415 -17.636 6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.242 -17.511 8.077 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.121 -16.130 8.097 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.744 -15.947 7.392 1.00 0.00 H new ATOM 992 N ASP A 72 -9.552 -15.403 5.932 1.00 0.00 N ATOM 993 CA ASP A 72 -8.437 -14.797 6.655 1.00 0.00 C ATOM 994 C ASP A 72 -8.268 -13.326 6.299 1.00 0.00 C ATOM 995 O ASP A 72 -8.223 -12.472 7.185 1.00 0.00 O ATOM 996 CB ASP A 72 -7.142 -15.561 6.373 1.00 0.00 C ATOM 997 CG ASP A 72 -7.080 -16.886 7.105 1.00 0.00 C ATOM 998 OD1 ASP A 72 -8.076 -17.633 7.077 1.00 0.00 O ATOM 999 OD2 ASP A 72 -6.032 -17.181 7.715 1.00 0.00 O ATOM 0 H ASP A 72 -9.274 -16.113 5.255 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.663 -14.857 7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.054 -15.737 5.301 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.290 -14.947 6.666 1.00 0.00 H new ATOM 1004 N LEU A 73 -8.189 -13.025 5.008 1.00 0.00 N ATOM 1005 CA LEU A 73 -8.015 -11.642 4.568 1.00 0.00 C ATOM 1006 C LEU A 73 -9.267 -10.825 4.862 1.00 0.00 C ATOM 1007 O LEU A 73 -9.192 -9.629 5.125 1.00 0.00 O ATOM 1008 CB LEU A 73 -7.652 -11.582 3.077 1.00 0.00 C ATOM 1009 CG LEU A 73 -8.647 -12.216 2.100 1.00 0.00 C ATOM 1010 CD1 LEU A 73 -9.709 -11.212 1.673 1.00 0.00 C ATOM 1011 CD2 LEU A 73 -7.917 -12.764 0.886 1.00 0.00 C ATOM 0 H LEU A 73 -8.242 -13.710 4.254 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.188 -11.206 5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.523 -10.536 2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.686 -12.069 2.942 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.147 -13.039 2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.402 -11.688 0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.255 -10.864 2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.231 -10.363 1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.636 -13.212 0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.391 -11.954 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.199 -13.521 1.204 1.00 0.00 H new ATOM 1023 N MET A 74 -10.409 -11.495 4.828 1.00 0.00 N ATOM 1024 CA MET A 74 -11.685 -10.863 5.111 1.00 0.00 C ATOM 1025 C MET A 74 -11.678 -10.241 6.505 1.00 0.00 C ATOM 1026 O MET A 74 -11.866 -9.033 6.662 1.00 0.00 O ATOM 1027 CB MET A 74 -12.808 -11.895 4.984 1.00 0.00 C ATOM 1028 CG MET A 74 -14.178 -11.369 5.370 1.00 0.00 C ATOM 1029 SD MET A 74 -15.482 -12.594 5.146 1.00 0.00 S ATOM 1030 CE MET A 74 -14.965 -13.857 6.300 1.00 0.00 C ATOM 0 H MET A 74 -10.476 -12.488 4.604 1.00 0.00 H new ATOM 0 HA MET A 74 -11.855 -10.065 4.389 1.00 0.00 H new ATOM 0 HB2 MET A 74 -12.844 -12.252 3.955 1.00 0.00 H new ATOM 0 HB3 MET A 74 -12.570 -12.754 5.611 1.00 0.00 H new ATOM 0 HG2 MET A 74 -14.160 -11.050 6.412 1.00 0.00 H new ATOM 0 HG3 MET A 74 -14.406 -10.488 4.771 1.00 0.00 H new ATOM 0 HE1 MET A 74 -14.654 -14.746 5.751 1.00 0.00 H new ATOM 0 HE2 MET A 74 -14.130 -13.487 6.895 1.00 0.00 H new ATOM 0 HE3 MET A 74 -15.796 -14.110 6.959 1.00 0.00 H new ATOM 1040 N LYS A 75 -11.429 -11.067 7.514 1.00 0.00 N ATOM 1041 CA LYS A 75 -11.419 -10.593 8.890 1.00 0.00 C ATOM 1042 C LYS A 75 -10.265 -9.624 9.130 1.00 0.00 C ATOM 1043 O LYS A 75 -10.421 -8.647 9.863 1.00 0.00 O ATOM 1044 CB LYS A 75 -11.359 -11.768 9.874 1.00 0.00 C ATOM 1045 CG LYS A 75 -10.277 -12.787 9.561 1.00 0.00 C ATOM 1046 CD LYS A 75 -10.301 -13.951 10.539 1.00 0.00 C ATOM 1047 CE LYS A 75 -9.432 -15.100 10.051 1.00 0.00 C ATOM 1048 NZ LYS A 75 -9.332 -16.199 11.047 1.00 0.00 N ATOM 0 H LYS A 75 -11.233 -12.062 7.405 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.350 -10.054 9.063 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.196 -11.378 10.879 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.326 -12.271 9.881 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.412 -13.161 8.546 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.301 -12.303 9.595 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.950 -13.616 11.515 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.326 -14.298 10.670 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.843 -15.493 9.121 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.433 -14.726 9.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.703 -16.942 10.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.947 -15.826 11.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.277 -16.599 11.219 1.00 0.00 H new ATOM 1062 N ALA A 76 -9.126 -9.885 8.478 1.00 0.00 N ATOM 1063 CA ALA A 76 -7.916 -9.067 8.623 1.00 0.00 C ATOM 1064 C ALA A 76 -8.217 -7.575 8.510 1.00 0.00 C ATOM 1065 O ALA A 76 -7.861 -6.796 9.395 1.00 0.00 O ATOM 1066 CB ALA A 76 -6.884 -9.464 7.573 1.00 0.00 C ATOM 0 H ALA A 76 -9.017 -10.669 7.835 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.517 -9.252 9.620 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.991 -8.850 7.690 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.622 -10.514 7.699 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.301 -9.311 6.577 1.00 0.00 H new ATOM 1072 N LEU A 77 -8.880 -7.188 7.426 1.00 0.00 N ATOM 1073 CA LEU A 77 -9.175 -5.779 7.173 1.00 0.00 C ATOM 1074 C LEU A 77 -10.134 -5.191 8.215 1.00 0.00 C ATOM 1075 O LEU A 77 -9.740 -4.340 9.015 1.00 0.00 O ATOM 1076 CB LEU A 77 -9.748 -5.582 5.762 1.00 0.00 C ATOM 1077 CG LEU A 77 -8.717 -5.494 4.626 1.00 0.00 C ATOM 1078 CD1 LEU A 77 -7.718 -4.379 4.893 1.00 0.00 C ATOM 1079 CD2 LEU A 77 -7.996 -6.818 4.428 1.00 0.00 C ATOM 0 H LEU A 77 -9.223 -7.827 6.709 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.230 -5.242 7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.427 -6.408 5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.344 -4.670 5.757 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.256 -5.266 3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.997 -4.334 4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.245 -3.428 4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.195 -4.575 5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.274 -6.721 3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.476 -7.090 5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.721 -7.593 4.178 1.00 0.00 H new ATOM 1091 N ASP A 78 -11.383 -5.640 8.215 1.00 0.00 N ATOM 1092 CA ASP A 78 -12.403 -5.012 9.066 1.00 0.00 C ATOM 1093 C ASP A 78 -13.511 -5.989 9.452 1.00 0.00 C ATOM 1094 O ASP A 78 -14.348 -5.691 10.301 1.00 0.00 O ATOM 1095 CB ASP A 78 -13.003 -3.804 8.321 1.00 0.00 C ATOM 1096 CG ASP A 78 -14.140 -3.120 9.066 1.00 0.00 C ATOM 1097 OD1 ASP A 78 -13.865 -2.290 9.960 1.00 0.00 O ATOM 1098 OD2 ASP A 78 -15.318 -3.389 8.742 1.00 0.00 O ATOM 0 H ASP A 78 -11.716 -6.421 7.650 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.923 -4.689 9.990 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.214 -3.076 8.136 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.367 -4.134 7.348 1.00 0.00 H new ATOM 1103 N ILE A 79 -13.491 -7.175 8.875 1.00 0.00 N ATOM 1104 CA ILE A 79 -14.649 -8.052 8.943 1.00 0.00 C ATOM 1105 C ILE A 79 -14.590 -8.960 10.173 1.00 0.00 C ATOM 1106 O ILE A 79 -13.513 -9.324 10.638 1.00 0.00 O ATOM 1107 CB ILE A 79 -14.779 -8.882 7.649 1.00 0.00 C ATOM 1108 CG1 ILE A 79 -14.745 -7.954 6.433 1.00 0.00 C ATOM 1109 CG2 ILE A 79 -16.071 -9.679 7.641 1.00 0.00 C ATOM 1110 CD1 ILE A 79 -15.868 -6.942 6.419 1.00 0.00 C ATOM 0 H ILE A 79 -12.696 -7.552 8.359 1.00 0.00 H new ATOM 0 HA ILE A 79 -15.537 -7.427 9.039 1.00 0.00 H new ATOM 0 HB ILE A 79 -13.942 -9.579 7.605 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -13.791 -7.427 6.414 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -14.796 -8.555 5.525 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -16.138 -10.255 6.718 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -16.085 -10.358 8.494 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -16.919 -8.998 7.705 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -15.783 -6.317 5.530 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -16.826 -7.462 6.407 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -15.805 -6.317 7.310 1.00 0.00 H new ATOM 1122 N ASP A 80 -15.762 -9.312 10.696 1.00 0.00 N ATOM 1123 CA ASP A 80 -15.865 -10.079 11.947 1.00 0.00 C ATOM 1124 C ASP A 80 -15.954 -11.584 11.701 1.00 0.00 C ATOM 1125 O ASP A 80 -15.999 -12.364 12.650 1.00 0.00 O ATOM 1126 CB ASP A 80 -17.088 -9.633 12.762 1.00 0.00 C ATOM 1127 CG ASP A 80 -16.938 -8.242 13.336 1.00 0.00 C ATOM 1128 OD1 ASP A 80 -16.242 -8.089 14.365 1.00 0.00 O ATOM 1129 OD2 ASP A 80 -17.526 -7.295 12.771 1.00 0.00 O ATOM 0 H ASP A 80 -16.661 -9.080 10.275 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.952 -9.877 12.507 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -17.973 -9.665 12.126 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -17.254 -10.340 13.575 1.00 0.00 H new ATOM 1134 N SER A 81 -15.986 -11.972 10.425 1.00 0.00 N ATOM 1135 CA SER A 81 -16.095 -13.378 9.992 1.00 0.00 C ATOM 1136 C SER A 81 -17.322 -14.095 10.581 1.00 0.00 C ATOM 1137 O SER A 81 -17.413 -15.324 10.535 1.00 0.00 O ATOM 1138 CB SER A 81 -14.803 -14.161 10.303 1.00 0.00 C ATOM 1139 OG SER A 81 -14.526 -14.218 11.693 1.00 0.00 O ATOM 0 H SER A 81 -15.937 -11.314 9.647 1.00 0.00 H new ATOM 0 HA SER A 81 -16.235 -13.353 8.911 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.892 -15.174 9.911 1.00 0.00 H new ATOM 0 HB3 SER A 81 -13.965 -13.693 9.787 1.00 0.00 H new ATOM 0 HG SER A 81 -15.279 -13.840 12.192 1.00 0.00 H new ATOM 1145 N SER A 82 -18.279 -13.330 11.096 1.00 0.00 N ATOM 1146 CA SER A 82 -19.490 -13.908 11.672 1.00 0.00 C ATOM 1147 C SER A 82 -20.518 -14.199 10.586 1.00 0.00 C ATOM 1148 O SER A 82 -20.255 -13.950 9.415 1.00 0.00 O ATOM 1149 CB SER A 82 -20.070 -12.958 12.718 1.00 0.00 C ATOM 1150 OG SER A 82 -19.099 -12.637 13.702 1.00 0.00 O ATOM 0 H SER A 82 -18.241 -12.311 11.127 1.00 0.00 H new ATOM 0 HA SER A 82 -19.233 -14.851 12.154 1.00 0.00 H new ATOM 0 HB2 SER A 82 -20.419 -12.046 12.234 1.00 0.00 H new ATOM 0 HB3 SER A 82 -20.937 -13.418 13.193 1.00 0.00 H new ATOM 0 HG SER A 82 -19.491 -12.026 14.361 1.00 0.00 H new ATOM 1156 N LEU A 83 -21.681 -14.722 10.986 1.00 0.00 N ATOM 1157 CA LEU A 83 -22.739 -15.116 10.046 1.00 0.00 C ATOM 1158 C LEU A 83 -23.018 -14.013 9.029 1.00 0.00 C ATOM 1159 O LEU A 83 -22.929 -14.247 7.823 1.00 0.00 O ATOM 1160 CB LEU A 83 -24.025 -15.471 10.821 1.00 0.00 C ATOM 1161 CG LEU A 83 -25.193 -16.060 10.004 1.00 0.00 C ATOM 1162 CD1 LEU A 83 -25.952 -14.982 9.243 1.00 0.00 C ATOM 1163 CD2 LEU A 83 -24.690 -17.133 9.048 1.00 0.00 C ATOM 0 H LEU A 83 -21.917 -14.884 11.965 1.00 0.00 H new ATOM 0 HA LEU A 83 -22.397 -15.994 9.497 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -23.764 -16.185 11.602 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -24.381 -14.569 11.319 1.00 0.00 H new ATOM 0 HG LEU A 83 -25.888 -16.515 10.710 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -26.766 -15.439 8.681 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -26.360 -14.257 9.948 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -25.274 -14.477 8.555 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -25.528 -17.537 8.480 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -23.964 -16.697 8.362 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -24.217 -17.934 9.616 1.00 0.00 H new ATOM 1175 N SER A 84 -23.337 -12.820 9.529 1.00 0.00 N ATOM 1176 CA SER A 84 -23.719 -11.686 8.689 1.00 0.00 C ATOM 1177 C SER A 84 -22.734 -11.485 7.545 1.00 0.00 C ATOM 1178 O SER A 84 -23.132 -11.387 6.385 1.00 0.00 O ATOM 1179 CB SER A 84 -23.806 -10.415 9.538 1.00 0.00 C ATOM 1180 OG SER A 84 -24.183 -9.293 8.756 1.00 0.00 O ATOM 0 H SER A 84 -23.338 -12.613 10.528 1.00 0.00 H new ATOM 0 HA SER A 84 -24.696 -11.900 8.255 1.00 0.00 H new ATOM 0 HB2 SER A 84 -24.530 -10.561 10.340 1.00 0.00 H new ATOM 0 HB3 SER A 84 -22.842 -10.224 10.009 1.00 0.00 H new ATOM 0 HG SER A 84 -24.231 -8.498 9.327 1.00 0.00 H new ATOM 1186 N ALA A 85 -21.456 -11.470 7.873 1.00 0.00 N ATOM 1187 CA ALA A 85 -20.416 -11.226 6.889 1.00 0.00 C ATOM 1188 C ALA A 85 -20.337 -12.355 5.860 1.00 0.00 C ATOM 1189 O ALA A 85 -20.317 -12.115 4.652 1.00 0.00 O ATOM 1190 CB ALA A 85 -19.086 -11.069 7.595 1.00 0.00 C ATOM 0 H ALA A 85 -21.110 -11.625 8.820 1.00 0.00 H new ATOM 0 HA ALA A 85 -20.660 -10.310 6.351 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -18.303 -10.886 6.859 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -19.138 -10.228 8.287 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -18.858 -11.980 8.148 1.00 0.00 H new ATOM 1196 N ARG A 86 -20.316 -13.587 6.347 1.00 0.00 N ATOM 1197 CA ARG A 86 -20.137 -14.751 5.490 1.00 0.00 C ATOM 1198 C ARG A 86 -21.262 -14.861 4.463 1.00 0.00 C ATOM 1199 O ARG A 86 -21.035 -15.281 3.329 1.00 0.00 O ATOM 1200 CB ARG A 86 -20.059 -16.022 6.340 1.00 0.00 C ATOM 1201 CG ARG A 86 -18.950 -15.976 7.383 1.00 0.00 C ATOM 1202 CD ARG A 86 -18.856 -17.268 8.181 1.00 0.00 C ATOM 1203 NE ARG A 86 -20.121 -17.623 8.830 1.00 0.00 N ATOM 1204 CZ ARG A 86 -20.226 -18.017 10.101 1.00 0.00 C ATOM 1205 NH1 ARG A 86 -19.173 -17.956 10.909 1.00 0.00 N ATOM 1206 NH2 ARG A 86 -21.398 -18.438 10.570 1.00 0.00 N ATOM 0 H ARG A 86 -20.421 -13.808 7.337 1.00 0.00 H new ATOM 0 HA ARG A 86 -19.201 -14.632 4.945 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.015 -16.176 6.841 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -19.900 -16.880 5.687 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -17.997 -15.786 6.889 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -19.128 -15.143 8.063 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -18.552 -18.078 7.519 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -18.079 -17.167 8.939 1.00 0.00 H new ATOM 0 HE ARG A 86 -20.975 -17.565 8.275 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -18.281 -17.607 10.559 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -19.257 -18.258 11.880 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -22.214 -18.459 9.959 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -21.480 -18.739 11.541 1.00 0.00 H new ATOM 1220 N LYS A 87 -22.468 -14.458 4.848 1.00 0.00 N ATOM 1221 CA LYS A 87 -23.603 -14.555 3.942 1.00 0.00 C ATOM 1222 C LYS A 87 -23.730 -13.321 3.056 1.00 0.00 C ATOM 1223 O LYS A 87 -24.208 -13.420 1.930 1.00 0.00 O ATOM 1224 CB LYS A 87 -24.912 -14.834 4.701 1.00 0.00 C ATOM 1225 CG LYS A 87 -25.227 -13.883 5.847 1.00 0.00 C ATOM 1226 CD LYS A 87 -26.013 -12.662 5.396 1.00 0.00 C ATOM 1227 CE LYS A 87 -26.519 -11.874 6.593 1.00 0.00 C ATOM 1228 NZ LYS A 87 -27.294 -10.668 6.188 1.00 0.00 N ATOM 0 H LYS A 87 -22.682 -14.068 5.766 1.00 0.00 H new ATOM 0 HA LYS A 87 -23.414 -15.406 3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -25.737 -14.802 3.989 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -24.872 -15.849 5.096 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -25.796 -14.415 6.610 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -24.296 -13.559 6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -25.381 -12.025 4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -26.855 -12.974 4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -27.147 -12.517 7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -25.673 -11.570 7.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -27.619 -10.163 7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -26.688 -10.040 5.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -28.117 -10.958 5.622 1.00 0.00 H new ATOM 1242 N GLU A 88 -23.288 -12.164 3.539 1.00 0.00 N ATOM 1243 CA GLU A 88 -23.393 -10.944 2.744 1.00 0.00 C ATOM 1244 C GLU A 88 -22.409 -10.974 1.576 1.00 0.00 C ATOM 1245 O GLU A 88 -22.725 -10.525 0.481 1.00 0.00 O ATOM 1246 CB GLU A 88 -23.183 -9.676 3.587 1.00 0.00 C ATOM 1247 CG GLU A 88 -21.757 -9.456 4.064 1.00 0.00 C ATOM 1248 CD GLU A 88 -21.552 -8.077 4.656 1.00 0.00 C ATOM 1249 OE1 GLU A 88 -21.222 -7.142 3.893 1.00 0.00 O ATOM 1250 OE2 GLU A 88 -21.741 -7.913 5.875 1.00 0.00 O ATOM 0 H GLU A 88 -22.862 -12.045 4.458 1.00 0.00 H new ATOM 0 HA GLU A 88 -24.410 -10.908 2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -23.492 -8.811 3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -23.839 -9.722 4.456 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -21.506 -10.210 4.810 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.072 -9.595 3.228 1.00 0.00 H new ATOM 1257 N LEU A 89 -21.226 -11.521 1.809 1.00 0.00 N ATOM 1258 CA LEU A 89 -20.216 -11.612 0.765 1.00 0.00 C ATOM 1259 C LEU A 89 -20.632 -12.622 -0.300 1.00 0.00 C ATOM 1260 O LEU A 89 -20.548 -12.349 -1.498 1.00 0.00 O ATOM 1261 CB LEU A 89 -18.866 -11.999 1.371 1.00 0.00 C ATOM 1262 CG LEU A 89 -17.726 -12.210 0.370 1.00 0.00 C ATOM 1263 CD1 LEU A 89 -17.540 -10.982 -0.513 1.00 0.00 C ATOM 1264 CD2 LEU A 89 -16.437 -12.534 1.108 1.00 0.00 C ATOM 0 H LEU A 89 -20.942 -11.908 2.709 1.00 0.00 H new ATOM 0 HA LEU A 89 -20.120 -10.636 0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -18.568 -11.222 2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -18.996 -12.916 1.945 1.00 0.00 H new ATOM 0 HG LEU A 89 -17.986 -13.050 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -16.725 -11.158 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -18.459 -10.789 -1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -17.303 -10.119 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.633 -12.682 0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -16.181 -11.709 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -16.572 -13.443 1.694 1.00 0.00 H new ATOM 1276 N ALA A 90 -21.107 -13.774 0.144 1.00 0.00 N ATOM 1277 CA ALA A 90 -21.475 -14.846 -0.766 1.00 0.00 C ATOM 1278 C ALA A 90 -22.730 -14.498 -1.571 1.00 0.00 C ATOM 1279 O ALA A 90 -22.870 -14.923 -2.722 1.00 0.00 O ATOM 1280 CB ALA A 90 -21.676 -16.139 0.003 1.00 0.00 C ATOM 0 H ALA A 90 -21.247 -13.991 1.131 1.00 0.00 H new ATOM 0 HA ALA A 90 -20.658 -14.978 -1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -21.951 -16.935 -0.689 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -20.751 -16.406 0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -22.470 -16.006 0.737 1.00 0.00 H new ATOM 1286 N LYS A 91 -23.631 -13.717 -0.974 1.00 0.00 N ATOM 1287 CA LYS A 91 -24.888 -13.361 -1.632 1.00 0.00 C ATOM 1288 C LYS A 91 -24.645 -12.375 -2.772 1.00 0.00 C ATOM 1289 O LYS A 91 -25.402 -12.339 -3.742 1.00 0.00 O ATOM 1290 CB LYS A 91 -25.892 -12.761 -0.636 1.00 0.00 C ATOM 1291 CG LYS A 91 -25.585 -11.323 -0.234 1.00 0.00 C ATOM 1292 CD LYS A 91 -26.586 -10.792 0.779 1.00 0.00 C ATOM 1293 CE LYS A 91 -26.347 -9.323 1.103 1.00 0.00 C ATOM 1294 NZ LYS A 91 -26.603 -8.445 -0.069 1.00 0.00 N ATOM 0 H LYS A 91 -23.515 -13.321 -0.041 1.00 0.00 H new ATOM 0 HA LYS A 91 -25.311 -14.280 -2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -26.889 -12.800 -1.074 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -25.913 -13.381 0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -24.581 -11.270 0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -25.594 -10.688 -1.120 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -27.596 -10.917 0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -26.522 -11.380 1.694 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -26.994 -9.024 1.928 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -25.319 -9.189 1.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -26.628 -7.452 0.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -25.844 -8.570 -0.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -27.516 -8.697 -0.499 1.00 0.00 H new ATOM 1308 N GLU A 92 -23.589 -11.574 -2.646 1.00 0.00 N ATOM 1309 CA GLU A 92 -23.257 -10.582 -3.661 1.00 0.00 C ATOM 1310 C GLU A 92 -22.656 -11.257 -4.885 1.00 0.00 C ATOM 1311 O GLU A 92 -22.893 -10.844 -6.019 1.00 0.00 O ATOM 1312 CB GLU A 92 -22.266 -9.553 -3.109 1.00 0.00 C ATOM 1313 CG GLU A 92 -22.786 -8.767 -1.917 1.00 0.00 C ATOM 1314 CD GLU A 92 -24.008 -7.940 -2.247 1.00 0.00 C ATOM 1315 OE1 GLU A 92 -25.127 -8.495 -2.237 1.00 0.00 O ATOM 1316 OE2 GLU A 92 -23.854 -6.731 -2.516 1.00 0.00 O ATOM 0 H GLU A 92 -22.950 -11.594 -1.851 1.00 0.00 H new ATOM 0 HA GLU A 92 -24.177 -10.071 -3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -21.349 -10.067 -2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -22.003 -8.855 -3.904 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -23.028 -9.458 -1.110 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -21.998 -8.111 -1.549 1.00 0.00 H new ATOM 1323 N LEU A 93 -21.885 -12.305 -4.643 1.00 0.00 N ATOM 1324 CA LEU A 93 -21.172 -12.989 -5.711 1.00 0.00 C ATOM 1325 C LEU A 93 -22.058 -14.027 -6.394 1.00 0.00 C ATOM 1326 O LEU A 93 -22.131 -14.074 -7.622 1.00 0.00 O ATOM 1327 CB LEU A 93 -19.907 -13.641 -5.158 1.00 0.00 C ATOM 1328 CG LEU A 93 -18.926 -12.666 -4.505 1.00 0.00 C ATOM 1329 CD1 LEU A 93 -17.753 -13.412 -3.906 1.00 0.00 C ATOM 1330 CD2 LEU A 93 -18.441 -11.634 -5.515 1.00 0.00 C ATOM 0 H LEU A 93 -21.737 -12.701 -3.715 1.00 0.00 H new ATOM 0 HA LEU A 93 -20.892 -12.251 -6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -20.193 -14.395 -4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -19.397 -14.162 -5.969 1.00 0.00 H new ATOM 0 HG LEU A 93 -19.448 -12.143 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -17.066 -12.701 -3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -18.113 -14.110 -3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -17.234 -13.963 -4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -17.744 -10.950 -5.030 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -17.939 -12.140 -6.339 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -19.293 -11.072 -5.899 1.00 0.00 H new ATOM 1342 N GLY A 94 -22.743 -14.837 -5.601 1.00 0.00 N ATOM 1343 CA GLY A 94 -23.620 -15.848 -6.162 1.00 0.00 C ATOM 1344 C GLY A 94 -23.181 -17.255 -5.808 1.00 0.00 C ATOM 1345 O GLY A 94 -23.033 -18.112 -6.680 1.00 0.00 O ATOM 0 H GLY A 94 -22.709 -14.814 -4.582 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -24.635 -15.685 -5.800 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -23.647 -15.741 -7.246 1.00 0.00 H new ATOM 1349 N TYR A 95 -22.956 -17.488 -4.523 1.00 0.00 N ATOM 1350 CA TYR A 95 -22.577 -18.807 -4.043 1.00 0.00 C ATOM 1351 C TYR A 95 -23.756 -19.768 -4.164 1.00 0.00 C ATOM 1352 O TYR A 95 -24.788 -19.577 -3.524 1.00 0.00 O ATOM 1353 CB TYR A 95 -22.102 -18.719 -2.590 1.00 0.00 C ATOM 1354 CG TYR A 95 -21.637 -20.038 -2.012 1.00 0.00 C ATOM 1355 CD1 TYR A 95 -20.526 -20.691 -2.529 1.00 0.00 C ATOM 1356 CD2 TYR A 95 -22.308 -20.626 -0.945 1.00 0.00 C ATOM 1357 CE1 TYR A 95 -20.096 -21.892 -2.001 1.00 0.00 C ATOM 1358 CE2 TYR A 95 -21.882 -21.827 -0.412 1.00 0.00 C ATOM 1359 CZ TYR A 95 -20.777 -22.455 -0.943 1.00 0.00 C ATOM 1360 OH TYR A 95 -20.351 -23.651 -0.414 1.00 0.00 O ATOM 0 H TYR A 95 -23.030 -16.779 -3.794 1.00 0.00 H new ATOM 0 HA TYR A 95 -21.758 -19.186 -4.654 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -21.286 -18.000 -2.529 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -22.915 -18.332 -1.976 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -19.990 -20.252 -3.357 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -23.175 -20.136 -0.527 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -19.230 -22.388 -2.415 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -22.413 -22.271 0.417 1.00 0.00 H new ATOM 0 HH TYR A 95 -20.939 -23.909 0.326 1.00 0.00 H new ATOM 1454 N ALA A 103 -14.625 -26.485 2.432 1.00 0.00 N ATOM 1455 CA ALA A 103 -13.416 -26.832 1.694 1.00 0.00 C ATOM 1456 C ALA A 103 -13.334 -26.071 0.375 1.00 0.00 C ATOM 1457 O ALA A 103 -12.462 -25.222 0.189 1.00 0.00 O ATOM 1458 CB ALA A 103 -13.369 -28.331 1.443 1.00 0.00 C ATOM 0 HA ALA A 103 -12.556 -26.545 2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -12.462 -28.579 0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -13.370 -28.860 2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -14.241 -28.630 0.861 1.00 0.00 H new ATOM 1464 N SER A 104 -14.260 -26.361 -0.530 1.00 0.00 N ATOM 1465 CA SER A 104 -14.290 -25.702 -1.825 1.00 0.00 C ATOM 1466 C SER A 104 -14.773 -24.262 -1.679 1.00 0.00 C ATOM 1467 O SER A 104 -14.466 -23.405 -2.509 1.00 0.00 O ATOM 1468 CB SER A 104 -15.200 -26.473 -2.779 1.00 0.00 C ATOM 1469 OG SER A 104 -14.935 -27.864 -2.716 1.00 0.00 O ATOM 0 H SER A 104 -15.000 -27.049 -0.389 1.00 0.00 H new ATOM 0 HA SER A 104 -13.280 -25.686 -2.235 1.00 0.00 H new ATOM 0 HB2 SER A 104 -16.243 -26.285 -2.524 1.00 0.00 H new ATOM 0 HB3 SER A 104 -15.051 -26.116 -3.798 1.00 0.00 H new ATOM 0 HG SER A 104 -15.530 -28.339 -3.333 1.00 0.00 H new ATOM 1475 N MET A 105 -15.511 -24.002 -0.601 1.00 0.00 N ATOM 1476 CA MET A 105 -16.063 -22.676 -0.344 1.00 0.00 C ATOM 1477 C MET A 105 -14.943 -21.660 -0.158 1.00 0.00 C ATOM 1478 O MET A 105 -15.008 -20.555 -0.682 1.00 0.00 O ATOM 1479 CB MET A 105 -16.971 -22.717 0.894 1.00 0.00 C ATOM 1480 CG MET A 105 -17.702 -21.411 1.199 1.00 0.00 C ATOM 1481 SD MET A 105 -16.666 -20.182 2.023 1.00 0.00 S ATOM 1482 CE MET A 105 -16.235 -21.051 3.532 1.00 0.00 C ATOM 0 H MET A 105 -15.740 -24.696 0.110 1.00 0.00 H new ATOM 0 HA MET A 105 -16.660 -22.369 -1.203 1.00 0.00 H new ATOM 0 HB2 MET A 105 -17.710 -23.507 0.759 1.00 0.00 H new ATOM 0 HB3 MET A 105 -16.368 -22.990 1.760 1.00 0.00 H new ATOM 0 HG2 MET A 105 -18.081 -20.990 0.268 1.00 0.00 H new ATOM 0 HG3 MET A 105 -18.567 -21.626 1.827 1.00 0.00 H new ATOM 0 HE1 MET A 105 -16.033 -20.329 4.323 1.00 0.00 H new ATOM 0 HE2 MET A 105 -17.063 -21.694 3.831 1.00 0.00 H new ATOM 0 HE3 MET A 105 -15.347 -21.659 3.361 1.00 0.00 H new ATOM 1492 N ASN A 106 -13.905 -22.054 0.569 1.00 0.00 N ATOM 1493 CA ASN A 106 -12.783 -21.163 0.847 1.00 0.00 C ATOM 1494 C ASN A 106 -12.002 -20.852 -0.431 1.00 0.00 C ATOM 1495 O ASN A 106 -11.389 -19.794 -0.552 1.00 0.00 O ATOM 1496 CB ASN A 106 -11.852 -21.796 1.890 1.00 0.00 C ATOM 1497 CG ASN A 106 -10.737 -20.869 2.350 1.00 0.00 C ATOM 1498 OD1 ASN A 106 -10.895 -19.647 2.389 1.00 0.00 O ATOM 1499 ND2 ASN A 106 -9.603 -21.448 2.715 1.00 0.00 N ATOM 0 H ASN A 106 -13.816 -22.984 0.977 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.180 -20.228 1.242 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.442 -22.099 2.755 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -11.412 -22.701 1.471 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -8.822 -20.879 3.042 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -9.510 -22.463 2.669 1.00 0.00 H new ATOM 1506 N ILE A 107 -12.043 -21.771 -1.392 1.00 0.00 N ATOM 1507 CA ILE A 107 -11.300 -21.607 -2.639 1.00 0.00 C ATOM 1508 C ILE A 107 -12.083 -20.769 -3.651 1.00 0.00 C ATOM 1509 O ILE A 107 -11.568 -19.782 -4.186 1.00 0.00 O ATOM 1510 CB ILE A 107 -10.957 -22.974 -3.271 1.00 0.00 C ATOM 1511 CG1 ILE A 107 -10.199 -23.850 -2.271 1.00 0.00 C ATOM 1512 CG2 ILE A 107 -10.138 -22.784 -4.541 1.00 0.00 C ATOM 1513 CD1 ILE A 107 -9.928 -25.253 -2.773 1.00 0.00 C ATOM 0 H ILE A 107 -12.581 -22.635 -1.332 1.00 0.00 H new ATOM 0 HA ILE A 107 -10.376 -21.087 -2.388 1.00 0.00 H new ATOM 0 HB ILE A 107 -11.888 -23.476 -3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -9.250 -23.371 -2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -10.772 -23.909 -1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -9.905 -23.757 -4.973 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -10.710 -22.196 -5.259 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.211 -22.262 -4.302 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -9.388 -25.814 -2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -10.873 -25.751 -2.989 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -9.328 -25.205 -3.682 1.00 0.00 H new ATOM 1525 N TRP A 108 -13.329 -21.167 -3.904 1.00 0.00 N ATOM 1526 CA TRP A 108 -14.188 -20.484 -4.871 1.00 0.00 C ATOM 1527 C TRP A 108 -14.362 -19.017 -4.496 1.00 0.00 C ATOM 1528 O TRP A 108 -14.151 -18.121 -5.319 1.00 0.00 O ATOM 1529 CB TRP A 108 -15.558 -21.176 -4.945 1.00 0.00 C ATOM 1530 CG TRP A 108 -16.543 -20.495 -5.854 1.00 0.00 C ATOM 1531 CD1 TRP A 108 -16.692 -20.688 -7.198 1.00 0.00 C ATOM 1532 CD2 TRP A 108 -17.512 -19.506 -5.482 1.00 0.00 C ATOM 1533 NE1 TRP A 108 -17.697 -19.881 -7.682 1.00 0.00 N ATOM 1534 CE2 TRP A 108 -18.213 -19.144 -6.648 1.00 0.00 C ATOM 1535 CE3 TRP A 108 -17.854 -18.892 -4.273 1.00 0.00 C ATOM 1536 CZ2 TRP A 108 -19.235 -18.196 -6.636 1.00 0.00 C ATOM 1537 CZ3 TRP A 108 -18.863 -17.952 -4.266 1.00 0.00 C ATOM 1538 CH2 TRP A 108 -19.544 -17.613 -5.438 1.00 0.00 C ATOM 0 H TRP A 108 -13.769 -21.966 -3.448 1.00 0.00 H new ATOM 0 HA TRP A 108 -13.711 -20.536 -5.850 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -15.417 -22.202 -5.284 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -15.981 -21.227 -3.942 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -16.107 -21.373 -7.794 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -18.007 -19.838 -8.653 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -17.337 -19.150 -3.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -19.764 -17.932 -7.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -19.132 -17.469 -3.338 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -20.331 -16.875 -5.397 1.00 0.00 H new ATOM 1549 N LEU A 109 -14.730 -18.783 -3.244 1.00 0.00 N ATOM 1550 CA LEU A 109 -14.973 -17.438 -2.747 1.00 0.00 C ATOM 1551 C LEU A 109 -13.680 -16.628 -2.782 1.00 0.00 C ATOM 1552 O LEU A 109 -13.695 -15.429 -3.051 1.00 0.00 O ATOM 1553 CB LEU A 109 -15.524 -17.497 -1.316 1.00 0.00 C ATOM 1554 CG LEU A 109 -16.265 -16.245 -0.835 1.00 0.00 C ATOM 1555 CD1 LEU A 109 -17.569 -16.068 -1.595 1.00 0.00 C ATOM 1556 CD2 LEU A 109 -16.525 -16.321 0.660 1.00 0.00 C ATOM 0 H LEU A 109 -14.868 -19.516 -2.548 1.00 0.00 H new ATOM 0 HA LEU A 109 -15.710 -16.951 -3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -16.201 -18.348 -1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -14.695 -17.690 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 109 -15.635 -15.378 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -18.080 -15.173 -1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -17.359 -15.966 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -18.205 -16.938 -1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -17.052 -15.423 0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -17.134 -17.198 0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -15.576 -16.396 1.191 1.00 0.00 H new ATOM 1568 N HIS A 110 -12.557 -17.305 -2.546 1.00 0.00 N ATOM 1569 CA HIS A 110 -11.252 -16.650 -2.533 1.00 0.00 C ATOM 1570 C HIS A 110 -10.942 -16.030 -3.892 1.00 0.00 C ATOM 1571 O HIS A 110 -10.400 -14.930 -3.968 1.00 0.00 O ATOM 1572 CB HIS A 110 -10.151 -17.645 -2.145 1.00 0.00 C ATOM 1573 CG HIS A 110 -8.802 -17.017 -1.940 1.00 0.00 C ATOM 1574 ND1 HIS A 110 -7.676 -17.404 -2.636 1.00 0.00 N ATOM 1575 CD2 HIS A 110 -8.398 -16.041 -1.092 1.00 0.00 C ATOM 1576 CE1 HIS A 110 -6.643 -16.688 -2.229 1.00 0.00 C ATOM 1577 NE2 HIS A 110 -7.053 -15.855 -1.294 1.00 0.00 N ATOM 0 H HIS A 110 -12.526 -18.308 -2.361 1.00 0.00 H new ATOM 0 HA HIS A 110 -11.283 -15.855 -1.788 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -10.445 -18.157 -1.228 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -10.072 -18.405 -2.923 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -9.019 -15.508 -0.387 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -5.632 -16.771 -2.600 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -6.467 -15.182 -0.801 1.00 0.00 H new ATOM 1586 N LYS A 111 -11.294 -16.732 -4.959 1.00 0.00 N ATOM 1587 CA LYS A 111 -11.036 -16.233 -6.305 1.00 0.00 C ATOM 1588 C LYS A 111 -12.048 -15.154 -6.683 1.00 0.00 C ATOM 1589 O LYS A 111 -11.674 -14.076 -7.143 1.00 0.00 O ATOM 1590 CB LYS A 111 -11.076 -17.371 -7.334 1.00 0.00 C ATOM 1591 CG LYS A 111 -10.080 -18.488 -7.058 1.00 0.00 C ATOM 1592 CD LYS A 111 -9.937 -19.416 -8.255 1.00 0.00 C ATOM 1593 CE LYS A 111 -9.011 -20.583 -7.948 1.00 0.00 C ATOM 1594 NZ LYS A 111 -8.768 -21.435 -9.143 1.00 0.00 N ATOM 0 H LYS A 111 -11.755 -17.641 -4.922 1.00 0.00 H new ATOM 0 HA LYS A 111 -10.037 -15.798 -6.311 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -12.081 -17.792 -7.357 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.880 -16.959 -8.324 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -9.109 -18.058 -6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -10.405 -19.060 -6.189 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.918 -19.794 -8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.549 -18.856 -9.106 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.060 -20.202 -7.576 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -9.445 -21.190 -7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.132 -22.217 -8.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.672 -21.820 -9.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -8.330 -20.864 -9.894 1.00 0.00 H new ATOM 1608 N GLN A 112 -13.325 -15.443 -6.452 1.00 0.00 N ATOM 1609 CA GLN A 112 -14.410 -14.561 -6.871 1.00 0.00 C ATOM 1610 C GLN A 112 -14.297 -13.175 -6.227 1.00 0.00 C ATOM 1611 O GLN A 112 -14.455 -12.159 -6.906 1.00 0.00 O ATOM 1612 CB GLN A 112 -15.760 -15.195 -6.532 1.00 0.00 C ATOM 1613 CG GLN A 112 -16.938 -14.520 -7.216 1.00 0.00 C ATOM 1614 CD GLN A 112 -16.862 -14.602 -8.730 1.00 0.00 C ATOM 1615 OE1 GLN A 112 -17.334 -13.711 -9.436 1.00 0.00 O ATOM 1616 NE2 GLN A 112 -16.293 -15.685 -9.238 1.00 0.00 N ATOM 0 H GLN A 112 -13.636 -16.288 -5.973 1.00 0.00 H new ATOM 0 HA GLN A 112 -14.334 -14.428 -7.950 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -15.740 -16.247 -6.816 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -15.908 -15.159 -5.453 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -17.864 -14.984 -6.877 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -16.977 -13.473 -6.914 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -15.914 -16.400 -8.618 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -16.234 -15.803 -10.249 1.00 0.00 H new ATOM 1625 N VAL A 113 -14.018 -13.137 -4.927 1.00 0.00 N ATOM 1626 CA VAL A 113 -13.872 -11.868 -4.213 1.00 0.00 C ATOM 1627 C VAL A 113 -12.708 -11.064 -4.767 1.00 0.00 C ATOM 1628 O VAL A 113 -12.830 -9.863 -5.013 1.00 0.00 O ATOM 1629 CB VAL A 113 -13.650 -12.077 -2.697 1.00 0.00 C ATOM 1630 CG1 VAL A 113 -13.421 -10.748 -1.990 1.00 0.00 C ATOM 1631 CG2 VAL A 113 -14.830 -12.800 -2.076 1.00 0.00 C ATOM 0 H VAL A 113 -13.889 -13.966 -4.347 1.00 0.00 H new ATOM 0 HA VAL A 113 -14.805 -11.323 -4.360 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.758 -12.691 -2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -13.268 -10.924 -0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -12.540 -10.261 -2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -14.291 -10.107 -2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -14.653 -12.937 -1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -15.735 -12.210 -2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -14.951 -13.773 -2.551 1.00 0.00 H new ATOM 1641 N MET A 114 -11.586 -11.729 -4.996 1.00 0.00 N ATOM 1642 CA MET A 114 -10.386 -11.040 -5.439 1.00 0.00 C ATOM 1643 C MET A 114 -10.536 -10.577 -6.881 1.00 0.00 C ATOM 1644 O MET A 114 -9.837 -9.667 -7.320 1.00 0.00 O ATOM 1645 CB MET A 114 -9.146 -11.917 -5.266 1.00 0.00 C ATOM 1646 CG MET A 114 -8.880 -12.298 -3.817 1.00 0.00 C ATOM 1647 SD MET A 114 -7.239 -13.001 -3.564 1.00 0.00 S ATOM 1648 CE MET A 114 -6.215 -11.569 -3.903 1.00 0.00 C ATOM 0 H MET A 114 -11.482 -12.737 -4.883 1.00 0.00 H new ATOM 0 HA MET A 114 -10.252 -10.159 -4.812 1.00 0.00 H new ATOM 0 HB2 MET A 114 -9.265 -12.825 -5.858 1.00 0.00 H new ATOM 0 HB3 MET A 114 -8.278 -11.390 -5.662 1.00 0.00 H new ATOM 0 HG2 MET A 114 -8.992 -11.415 -3.188 1.00 0.00 H new ATOM 0 HG3 MET A 114 -9.632 -13.018 -3.492 1.00 0.00 H new ATOM 0 HE1 MET A 114 -5.254 -11.682 -3.401 1.00 0.00 H new ATOM 0 HE2 MET A 114 -6.055 -11.482 -4.978 1.00 0.00 H new ATOM 0 HE3 MET A 114 -6.712 -10.671 -3.536 1.00 0.00 H new ATOM 1658 N SER A 115 -11.470 -11.183 -7.598 1.00 0.00 N ATOM 1659 CA SER A 115 -11.803 -10.744 -8.944 1.00 0.00 C ATOM 1660 C SER A 115 -12.417 -9.345 -8.893 1.00 0.00 C ATOM 1661 O SER A 115 -12.209 -8.528 -9.786 1.00 0.00 O ATOM 1662 CB SER A 115 -12.775 -11.735 -9.599 1.00 0.00 C ATOM 1663 OG SER A 115 -13.051 -11.382 -10.945 1.00 0.00 O ATOM 0 H SER A 115 -12.012 -11.982 -7.269 1.00 0.00 H new ATOM 0 HA SER A 115 -10.894 -10.708 -9.544 1.00 0.00 H new ATOM 0 HB2 SER A 115 -12.351 -12.738 -9.565 1.00 0.00 H new ATOM 0 HB3 SER A 115 -13.705 -11.763 -9.031 1.00 0.00 H new ATOM 0 HG SER A 115 -13.671 -12.034 -11.333 1.00 0.00 H new ATOM 1669 N LYS A 116 -13.149 -9.066 -7.818 1.00 0.00 N ATOM 1670 CA LYS A 116 -13.763 -7.755 -7.623 1.00 0.00 C ATOM 1671 C LYS A 116 -12.808 -6.851 -6.862 1.00 0.00 C ATOM 1672 O LYS A 116 -13.083 -5.674 -6.646 1.00 0.00 O ATOM 1673 CB LYS A 116 -15.063 -7.872 -6.820 1.00 0.00 C ATOM 1674 CG LYS A 116 -15.995 -8.982 -7.273 1.00 0.00 C ATOM 1675 CD LYS A 116 -16.445 -8.808 -8.714 1.00 0.00 C ATOM 1676 CE LYS A 116 -17.510 -9.831 -9.080 1.00 0.00 C ATOM 1677 NZ LYS A 116 -17.919 -9.724 -10.503 1.00 0.00 N ATOM 0 H LYS A 116 -13.332 -9.731 -7.067 1.00 0.00 H new ATOM 0 HA LYS A 116 -13.984 -7.338 -8.605 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -14.812 -8.033 -5.771 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -15.596 -6.923 -6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -15.491 -9.942 -7.166 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -16.869 -9.007 -6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -16.838 -7.801 -8.857 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -15.590 -8.914 -9.381 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -17.131 -10.834 -8.886 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -18.382 -9.691 -8.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -18.646 -10.439 -10.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -18.305 -8.775 -10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -17.093 -9.883 -11.115 1.00 0.00 H new ATOM 1691 N LEU A 117 -11.686 -7.425 -6.454 1.00 0.00 N ATOM 1692 CA LEU A 117 -10.733 -6.737 -5.601 1.00 0.00 C ATOM 1693 C LEU A 117 -9.542 -6.239 -6.417 1.00 0.00 C ATOM 1694 O LEU A 117 -9.359 -5.037 -6.586 1.00 0.00 O ATOM 1695 CB LEU A 117 -10.277 -7.691 -4.486 1.00 0.00 C ATOM 1696 CG LEU A 117 -9.671 -7.046 -3.231 1.00 0.00 C ATOM 1697 CD1 LEU A 117 -8.264 -6.525 -3.484 1.00 0.00 C ATOM 1698 CD2 LEU A 117 -10.570 -5.929 -2.726 1.00 0.00 C ATOM 0 H LEU A 117 -11.413 -8.375 -6.704 1.00 0.00 H new ATOM 0 HA LEU A 117 -11.210 -5.866 -5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -11.134 -8.291 -4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -9.541 -8.377 -4.905 1.00 0.00 H new ATOM 0 HG LEU A 117 -9.599 -7.819 -2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -7.872 -6.077 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.620 -7.350 -3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.290 -5.775 -4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -10.128 -5.481 -1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -10.676 -5.169 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -11.551 -6.335 -2.479 1.00 0.00 H new ATOM 1710 N VAL A 118 -8.755 -7.164 -6.955 1.00 0.00 N ATOM 1711 CA VAL A 118 -7.509 -6.804 -7.621 1.00 0.00 C ATOM 1712 C VAL A 118 -7.758 -6.154 -8.982 1.00 0.00 C ATOM 1713 O VAL A 118 -6.873 -5.502 -9.536 1.00 0.00 O ATOM 1714 CB VAL A 118 -6.574 -8.022 -7.781 1.00 0.00 C ATOM 1715 CG1 VAL A 118 -6.295 -8.653 -6.422 1.00 0.00 C ATOM 1716 CG2 VAL A 118 -7.161 -9.046 -8.744 1.00 0.00 C ATOM 0 H VAL A 118 -8.956 -8.164 -6.943 1.00 0.00 H new ATOM 0 HA VAL A 118 -7.017 -6.074 -6.979 1.00 0.00 H new ATOM 0 HB VAL A 118 -5.631 -7.675 -8.205 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -5.635 -9.511 -6.548 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -5.818 -7.920 -5.772 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -7.233 -8.980 -5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -6.479 -9.892 -8.836 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -8.122 -9.394 -8.364 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -7.302 -8.586 -9.722 1.00 0.00 H new ATOM 1726 N ALA A 119 -8.978 -6.289 -9.497 1.00 0.00 N ATOM 1727 CA ALA A 119 -9.341 -5.679 -10.776 1.00 0.00 C ATOM 1728 C ALA A 119 -9.422 -4.159 -10.655 1.00 0.00 C ATOM 1729 O ALA A 119 -9.626 -3.454 -11.643 1.00 0.00 O ATOM 1730 CB ALA A 119 -10.660 -6.240 -11.280 1.00 0.00 C ATOM 0 H ALA A 119 -9.730 -6.813 -9.051 1.00 0.00 H new ATOM 0 HA ALA A 119 -8.561 -5.922 -11.497 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.913 -5.774 -12.232 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -10.569 -7.318 -11.416 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -11.445 -6.031 -10.554 1.00 0.00 H new ATOM 1736 N ASN A 120 -9.261 -3.660 -9.436 1.00 0.00 N ATOM 1737 CA ASN A 120 -9.256 -2.221 -9.191 1.00 0.00 C ATOM 1738 C ASN A 120 -7.838 -1.657 -9.287 1.00 0.00 C ATOM 1739 O ASN A 120 -7.581 -0.525 -8.879 1.00 0.00 O ATOM 1740 CB ASN A 120 -9.848 -1.899 -7.814 1.00 0.00 C ATOM 1741 CG ASN A 120 -11.308 -2.293 -7.693 1.00 0.00 C ATOM 1742 OD1 ASN A 120 -12.207 -1.522 -8.030 1.00 0.00 O ATOM 1743 ND2 ASN A 120 -11.550 -3.488 -7.183 1.00 0.00 N ATOM 0 H ASN A 120 -9.132 -4.230 -8.600 1.00 0.00 H new ATOM 0 HA ASN A 120 -9.874 -1.754 -9.958 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -9.272 -2.416 -7.047 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -9.748 -0.831 -7.622 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -12.512 -3.803 -7.055 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -10.775 -4.095 -6.917 1.00 0.00 H new ATOM 1750 N GLY A 121 -6.918 -2.451 -9.824 1.00 0.00 N ATOM 1751 CA GLY A 121 -5.550 -1.994 -9.998 1.00 0.00 C ATOM 1752 C GLY A 121 -4.613 -2.547 -8.946 1.00 0.00 C ATOM 1753 O GLY A 121 -3.523 -2.013 -8.726 1.00 0.00 O ATOM 0 H GLY A 121 -7.095 -3.404 -10.142 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -5.195 -2.288 -10.986 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.528 -0.905 -9.963 1.00 0.00 H new ATOM 1757 N GLY A 122 -5.041 -3.616 -8.292 1.00 0.00 N ATOM 1758 CA GLY A 122 -4.221 -4.245 -7.283 1.00 0.00 C ATOM 1759 C GLY A 122 -3.374 -5.365 -7.851 1.00 0.00 C ATOM 1760 O GLY A 122 -3.871 -6.212 -8.592 1.00 0.00 O ATOM 0 H GLY A 122 -5.947 -4.060 -8.445 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -3.573 -3.497 -6.826 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -4.859 -4.639 -6.492 1.00 0.00 H new ATOM 1764 N LYS A 123 -2.097 -5.366 -7.508 1.00 0.00 N ATOM 1765 CA LYS A 123 -1.178 -6.391 -7.970 1.00 0.00 C ATOM 1766 C LYS A 123 -1.043 -7.490 -6.927 1.00 0.00 C ATOM 1767 O LYS A 123 -1.108 -7.229 -5.724 1.00 0.00 O ATOM 1768 CB LYS A 123 0.209 -5.806 -8.254 1.00 0.00 C ATOM 1769 CG LYS A 123 1.206 -6.856 -8.723 1.00 0.00 C ATOM 1770 CD LYS A 123 2.638 -6.360 -8.677 1.00 0.00 C ATOM 1771 CE LYS A 123 3.604 -7.495 -8.982 1.00 0.00 C ATOM 1772 NZ LYS A 123 5.023 -7.069 -8.894 1.00 0.00 N ATOM 0 H LYS A 123 -1.671 -4.662 -6.906 1.00 0.00 H new ATOM 0 HA LYS A 123 -1.586 -6.803 -8.893 1.00 0.00 H new ATOM 0 HB2 LYS A 123 0.122 -5.029 -9.013 1.00 0.00 H new ATOM 0 HB3 LYS A 123 0.589 -5.328 -7.351 1.00 0.00 H new ATOM 0 HG2 LYS A 123 1.113 -7.745 -8.099 1.00 0.00 H new ATOM 0 HG3 LYS A 123 0.961 -7.155 -9.742 1.00 0.00 H new ATOM 0 HD2 LYS A 123 2.774 -5.555 -9.399 1.00 0.00 H new ATOM 0 HD3 LYS A 123 2.854 -5.945 -7.693 1.00 0.00 H new ATOM 0 HE2 LYS A 123 3.430 -8.314 -8.285 1.00 0.00 H new ATOM 0 HE3 LYS A 123 3.404 -7.880 -9.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 5.642 -7.876 -9.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 5.199 -6.305 -9.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 5.224 -6.726 -7.933 1.00 0.00 H new ATOM 1786 N LEU A 124 -0.859 -8.712 -7.397 1.00 0.00 N ATOM 1787 CA LEU A 124 -0.580 -9.837 -6.529 1.00 0.00 C ATOM 1788 C LEU A 124 0.562 -10.666 -7.098 1.00 0.00 C ATOM 1789 O LEU A 124 0.789 -10.672 -8.310 1.00 0.00 O ATOM 1790 CB LEU A 124 -1.828 -10.728 -6.267 1.00 0.00 C ATOM 1791 CG LEU A 124 -2.722 -11.159 -7.463 1.00 0.00 C ATOM 1792 CD1 LEU A 124 -3.404 -9.975 -8.125 1.00 0.00 C ATOM 1793 CD2 LEU A 124 -1.948 -11.965 -8.494 1.00 0.00 C ATOM 0 H LEU A 124 -0.899 -8.949 -8.388 1.00 0.00 H new ATOM 0 HA LEU A 124 -0.287 -9.428 -5.562 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.484 -11.636 -5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.464 -10.200 -5.557 1.00 0.00 H new ATOM 0 HG LEU A 124 -3.496 -11.801 -7.043 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -4.017 -10.326 -8.955 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -4.035 -9.465 -7.397 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.650 -9.283 -8.499 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -2.613 -12.244 -9.311 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -1.127 -11.364 -8.884 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.549 -12.865 -8.027 1.00 0.00 H new ATOM 1805 N PRO A 125 1.328 -11.333 -6.224 1.00 0.00 N ATOM 1806 CA PRO A 125 2.313 -12.323 -6.653 1.00 0.00 C ATOM 1807 C PRO A 125 1.635 -13.450 -7.422 1.00 0.00 C ATOM 1808 O PRO A 125 0.475 -13.771 -7.155 1.00 0.00 O ATOM 1809 CB PRO A 125 2.912 -12.840 -5.338 1.00 0.00 C ATOM 1810 CG PRO A 125 2.612 -11.781 -4.334 1.00 0.00 C ATOM 1811 CD PRO A 125 1.313 -11.157 -4.765 1.00 0.00 C ATOM 0 HA PRO A 125 3.068 -11.910 -7.322 1.00 0.00 H new ATOM 0 HB2 PRO A 125 2.469 -13.793 -5.050 1.00 0.00 H new ATOM 0 HB3 PRO A 125 3.986 -13.003 -5.431 1.00 0.00 H new ATOM 0 HG2 PRO A 125 2.528 -12.205 -3.333 1.00 0.00 H new ATOM 0 HG3 PRO A 125 3.409 -11.038 -4.300 1.00 0.00 H new ATOM 0 HD2 PRO A 125 0.456 -11.652 -4.308 1.00 0.00 H new ATOM 0 HD3 PRO A 125 1.259 -10.105 -4.486 1.00 0.00 H new ATOM 1819 N PRO A 126 2.344 -14.076 -8.374 1.00 0.00 N ATOM 1820 CA PRO A 126 1.765 -15.100 -9.259 1.00 0.00 C ATOM 1821 C PRO A 126 1.275 -16.342 -8.512 1.00 0.00 C ATOM 1822 O PRO A 126 0.732 -17.266 -9.117 1.00 0.00 O ATOM 1823 CB PRO A 126 2.920 -15.461 -10.198 1.00 0.00 C ATOM 1824 CG PRO A 126 3.885 -14.331 -10.088 1.00 0.00 C ATOM 1825 CD PRO A 126 3.762 -13.829 -8.682 1.00 0.00 C ATOM 0 HA PRO A 126 0.879 -14.723 -9.769 1.00 0.00 H new ATOM 0 HB2 PRO A 126 3.383 -16.404 -9.907 1.00 0.00 H new ATOM 0 HB3 PRO A 126 2.570 -15.581 -11.223 1.00 0.00 H new ATOM 0 HG2 PRO A 126 4.902 -14.663 -10.298 1.00 0.00 H new ATOM 0 HG3 PRO A 126 3.651 -13.545 -10.806 1.00 0.00 H new ATOM 0 HD2 PRO A 126 4.424 -14.365 -8.001 1.00 0.00 H new ATOM 0 HD3 PRO A 126 4.015 -12.771 -8.606 1.00 0.00 H new