USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 614 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 116 TYR OH : rot -167:sc= 1.31 USER MOD Set 1.2: A 160 HIS : no HD1:sc= -9.26! C(o=-7.9!,f=-11!) USER MOD Set 2.1: A 108 THR OG1 : rot -54:sc= 0.237 USER MOD Set 2.2: A 163 ASN : amide:sc= -7.51! C(o=-7.3!,f=-13!) USER MOD Single : A 98 LYS NZ :NH3+ -135:sc= -0.143 (180deg=-1.09) USER MOD Single : A 99 MET CE :methyl 156:sc= -7.37! (180deg=-10.4!) USER MOD Single : A 105 SER OG : rot 180:sc= -0.459 USER MOD Single : A 109 THR OG1 : rot -19:sc= 0.173 USER MOD Single : A 110 LYS NZ :NH3+ -140:sc= -0.0536 (180deg=-0.333) USER MOD Single : A 111 LYS NZ :NH3+ -156:sc= -0.0161 (180deg=-0.171) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 59:sc= 1.03 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 CYS SG : rot 130:sc= -6.25! USER MOD Single : A 127 THR OG1 : rot 38:sc= 0.127 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 171:sc= 0.13 USER MOD Single : A 137 SER OG : rot 64:sc= 1.08 USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 150 SER OG : rot -22:sc= -2.3! USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 MET CE :methyl -124:sc= -0.0264 (180deg=-0.315) USER MOD Single : A 157 GLN : amide:sc= -1.59! C(o=-1.6!,f=-5.5!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 LYS NZ :NH3+ -161:sc= -0.0217 (180deg=-0.644) USER MOD Single : A 170 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.225) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 98 76.577 -7.896 3.472 1.00 0.00 N ATOM 2 CA LYS A 98 76.517 -6.700 2.587 1.00 0.00 C ATOM 3 C LYS A 98 75.185 -6.665 1.835 1.00 0.00 C ATOM 4 O LYS A 98 74.679 -7.679 1.399 1.00 0.00 O ATOM 5 CB LYS A 98 77.673 -6.878 1.603 1.00 0.00 C ATOM 6 CG LYS A 98 78.945 -7.258 2.365 1.00 0.00 C ATOM 7 CD LYS A 98 80.155 -7.115 1.439 1.00 0.00 C ATOM 8 CE LYS A 98 80.554 -8.492 0.902 1.00 0.00 C ATOM 9 NZ LYS A 98 81.064 -9.235 2.086 1.00 0.00 N ATOM 0 HA LYS A 98 76.594 -5.769 3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 98 77.428 -7.652 0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 98 77.834 -5.956 1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 98 79.064 -6.617 3.238 1.00 0.00 H new ATOM 0 HG3 LYS A 98 78.871 -8.283 2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 98 79.916 -6.446 0.612 1.00 0.00 H new ATOM 0 HD3 LYS A 98 80.989 -6.668 1.980 1.00 0.00 H new ATOM 0 HE2 LYS A 98 79.702 -9.002 0.453 1.00 0.00 H new ATOM 0 HE3 LYS A 98 81.319 -8.408 0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 81.946 -9.726 1.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 81.249 -8.567 2.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 80.355 -9.932 2.390 1.00 0.00 H new ATOM 23 N MET A 99 74.620 -5.502 1.668 1.00 0.00 N ATOM 24 CA MET A 99 73.331 -5.396 0.929 1.00 0.00 C ATOM 25 C MET A 99 73.298 -4.092 0.140 1.00 0.00 C ATOM 26 O MET A 99 74.031 -3.165 0.424 1.00 0.00 O ATOM 27 CB MET A 99 72.206 -5.416 1.977 1.00 0.00 C ATOM 28 CG MET A 99 72.644 -4.753 3.292 1.00 0.00 C ATOM 29 SD MET A 99 71.907 -3.105 3.415 1.00 0.00 S ATOM 30 CE MET A 99 70.188 -3.586 3.118 1.00 0.00 C ATOM 0 H MET A 99 74.996 -4.618 2.012 1.00 0.00 H new ATOM 0 HA MET A 99 73.211 -6.219 0.224 1.00 0.00 H new ATOM 0 HB2 MET A 99 71.331 -4.899 1.582 1.00 0.00 H new ATOM 0 HB3 MET A 99 71.907 -6.446 2.171 1.00 0.00 H new ATOM 0 HG2 MET A 99 72.336 -5.365 4.140 1.00 0.00 H new ATOM 0 HG3 MET A 99 73.731 -4.680 3.330 1.00 0.00 H new ATOM 0 HE1 MET A 99 69.521 -2.842 3.554 1.00 0.00 H new ATOM 0 HE2 MET A 99 70.008 -3.650 2.045 1.00 0.00 H new ATOM 0 HE3 MET A 99 69.997 -4.557 3.576 1.00 0.00 H new ATOM 40 N PHE A 100 72.460 -4.010 -0.851 1.00 0.00 N ATOM 41 CA PHE A 100 72.399 -2.761 -1.653 1.00 0.00 C ATOM 42 C PHE A 100 71.054 -2.067 -1.456 1.00 0.00 C ATOM 43 O PHE A 100 70.032 -2.698 -1.274 1.00 0.00 O ATOM 44 CB PHE A 100 72.578 -3.208 -3.102 1.00 0.00 C ATOM 45 CG PHE A 100 72.198 -2.078 -4.027 1.00 0.00 C ATOM 46 CD1 PHE A 100 72.788 -0.819 -3.869 1.00 0.00 C ATOM 47 CD2 PHE A 100 71.254 -2.286 -5.039 1.00 0.00 C ATOM 48 CE1 PHE A 100 72.435 0.231 -4.723 1.00 0.00 C ATOM 49 CE2 PHE A 100 70.902 -1.236 -5.895 1.00 0.00 C ATOM 50 CZ PHE A 100 71.494 0.023 -5.737 1.00 0.00 C ATOM 0 H PHE A 100 71.818 -4.749 -1.139 1.00 0.00 H new ATOM 0 HA PHE A 100 73.164 -2.043 -1.357 1.00 0.00 H new ATOM 0 HB2 PHE A 100 73.612 -3.504 -3.278 1.00 0.00 H new ATOM 0 HB3 PHE A 100 71.958 -4.082 -3.304 1.00 0.00 H new ATOM 0 HD1 PHE A 100 73.516 -0.658 -3.088 1.00 0.00 H new ATOM 0 HD2 PHE A 100 70.797 -3.257 -5.160 1.00 0.00 H new ATOM 0 HE1 PHE A 100 72.889 1.203 -4.599 1.00 0.00 H new ATOM 0 HE2 PHE A 100 70.174 -1.397 -6.677 1.00 0.00 H new ATOM 0 HZ PHE A 100 71.224 0.833 -6.398 1.00 0.00 H new ATOM 60 N ILE A 101 71.055 -0.766 -1.482 1.00 0.00 N ATOM 61 CA ILE A 101 69.787 -0.011 -1.289 1.00 0.00 C ATOM 62 C ILE A 101 69.541 0.917 -2.479 1.00 0.00 C ATOM 63 O ILE A 101 69.985 2.049 -2.500 1.00 0.00 O ATOM 64 CB ILE A 101 70.001 0.792 -0.007 1.00 0.00 C ATOM 65 CG1 ILE A 101 70.653 -0.096 1.061 1.00 0.00 C ATOM 66 CG2 ILE A 101 68.654 1.290 0.507 1.00 0.00 C ATOM 67 CD1 ILE A 101 69.860 -1.398 1.213 1.00 0.00 C ATOM 0 H ILE A 101 71.883 -0.189 -1.629 1.00 0.00 H new ATOM 0 HA ILE A 101 68.918 -0.665 -1.217 1.00 0.00 H new ATOM 0 HB ILE A 101 70.653 1.640 -0.218 1.00 0.00 H new ATOM 0 HG12 ILE A 101 71.683 -0.318 0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 101 70.687 0.432 2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 101 68.803 1.863 1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 101 68.189 1.925 -0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 101 68.006 0.438 0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 101 70.329 -2.023 1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 101 68.837 -1.168 1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 101 69.849 -1.930 0.262 1.00 0.00 H new ATOM 79 N GLY A 102 68.836 0.445 -3.471 1.00 0.00 N ATOM 80 CA GLY A 102 68.556 1.302 -4.657 1.00 0.00 C ATOM 81 C GLY A 102 67.237 2.043 -4.439 1.00 0.00 C ATOM 82 O GLY A 102 66.583 1.867 -3.433 1.00 0.00 O ATOM 0 H GLY A 102 68.443 -0.495 -3.511 1.00 0.00 H new ATOM 0 HA2 GLY A 102 69.367 2.015 -4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 102 68.499 0.691 -5.558 1.00 0.00 H new ATOM 86 N GLY A 103 66.837 2.866 -5.369 1.00 0.00 N ATOM 87 CA GLY A 103 65.552 3.607 -5.204 1.00 0.00 C ATOM 88 C GLY A 103 65.811 4.960 -4.534 1.00 0.00 C ATOM 89 O GLY A 103 64.893 5.645 -4.127 1.00 0.00 O ATOM 0 H GLY A 103 67.342 3.058 -6.234 1.00 0.00 H new ATOM 0 HA2 GLY A 103 65.082 3.757 -6.176 1.00 0.00 H new ATOM 0 HA3 GLY A 103 64.859 3.020 -4.601 1.00 0.00 H new ATOM 93 N LEU A 104 67.049 5.354 -4.417 1.00 0.00 N ATOM 94 CA LEU A 104 67.355 6.667 -3.775 1.00 0.00 C ATOM 95 C LEU A 104 66.982 7.817 -4.712 1.00 0.00 C ATOM 96 O LEU A 104 66.801 7.631 -5.900 1.00 0.00 O ATOM 97 CB LEU A 104 68.864 6.659 -3.539 1.00 0.00 C ATOM 98 CG LEU A 104 69.162 6.137 -2.134 1.00 0.00 C ATOM 99 CD1 LEU A 104 69.078 4.611 -2.132 1.00 0.00 C ATOM 100 CD2 LEU A 104 70.570 6.570 -1.722 1.00 0.00 C ATOM 0 H LEU A 104 67.861 4.826 -4.737 1.00 0.00 H new ATOM 0 HA LEU A 104 66.794 6.805 -2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 104 69.355 6.031 -4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 104 69.266 7.665 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 104 68.435 6.542 -1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 104 69.290 4.236 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 104 68.076 4.301 -2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 104 69.807 4.206 -2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 104 70.786 6.199 -0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 104 71.296 6.162 -2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 104 70.632 7.658 -1.728 1.00 0.00 H new ATOM 112 N SER A 105 66.881 9.007 -4.189 1.00 0.00 N ATOM 113 CA SER A 105 66.536 10.173 -5.049 1.00 0.00 C ATOM 114 C SER A 105 67.820 10.811 -5.590 1.00 0.00 C ATOM 115 O SER A 105 68.908 10.328 -5.350 1.00 0.00 O ATOM 116 CB SER A 105 65.797 11.143 -4.129 1.00 0.00 C ATOM 117 OG SER A 105 65.689 12.408 -4.769 1.00 0.00 O ATOM 0 H SER A 105 67.023 9.223 -3.202 1.00 0.00 H new ATOM 0 HA SER A 105 65.927 9.894 -5.909 1.00 0.00 H new ATOM 0 HB2 SER A 105 64.806 10.756 -3.894 1.00 0.00 H new ATOM 0 HB3 SER A 105 66.331 11.245 -3.184 1.00 0.00 H new ATOM 0 HG SER A 105 65.214 13.032 -4.182 1.00 0.00 H new ATOM 123 N TRP A 106 67.707 11.889 -6.316 1.00 0.00 N ATOM 124 CA TRP A 106 68.930 12.547 -6.863 1.00 0.00 C ATOM 125 C TRP A 106 69.491 13.547 -5.846 1.00 0.00 C ATOM 126 O TRP A 106 70.195 14.473 -6.197 1.00 0.00 O ATOM 127 CB TRP A 106 68.462 13.268 -8.126 1.00 0.00 C ATOM 128 CG TRP A 106 67.966 12.266 -9.120 1.00 0.00 C ATOM 129 CD1 TRP A 106 67.808 10.943 -8.879 1.00 0.00 C ATOM 130 CD2 TRP A 106 67.563 12.480 -10.504 1.00 0.00 C ATOM 131 NE1 TRP A 106 67.333 10.333 -10.026 1.00 0.00 N ATOM 132 CE2 TRP A 106 67.167 11.239 -11.055 1.00 0.00 C ATOM 133 CE3 TRP A 106 67.504 13.620 -11.326 1.00 0.00 C ATOM 134 CZ2 TRP A 106 66.726 11.132 -12.374 1.00 0.00 C ATOM 135 CZ3 TRP A 106 67.062 13.516 -12.655 1.00 0.00 C ATOM 136 CH2 TRP A 106 66.673 12.274 -13.178 1.00 0.00 C ATOM 0 H TRP A 106 66.825 12.342 -6.554 1.00 0.00 H new ATOM 0 HA TRP A 106 69.725 11.832 -7.076 1.00 0.00 H new ATOM 0 HB2 TRP A 106 67.670 13.975 -7.881 1.00 0.00 H new ATOM 0 HB3 TRP A 106 69.283 13.844 -8.553 1.00 0.00 H new ATOM 0 HD1 TRP A 106 68.018 10.445 -7.944 1.00 0.00 H new ATOM 0 HE1 TRP A 106 67.130 9.336 -10.102 1.00 0.00 H new ATOM 0 HE3 TRP A 106 67.800 14.581 -10.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 66.428 10.173 -12.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 67.021 14.397 -13.278 1.00 0.00 H new ATOM 0 HH2 TRP A 106 66.333 12.200 -14.200 1.00 0.00 H new ATOM 147 N ASP A 107 69.185 13.367 -4.590 1.00 0.00 N ATOM 148 CA ASP A 107 69.703 14.308 -3.555 1.00 0.00 C ATOM 149 C ASP A 107 70.021 13.556 -2.258 1.00 0.00 C ATOM 150 O ASP A 107 70.295 14.153 -1.237 1.00 0.00 O ATOM 151 CB ASP A 107 68.573 15.312 -3.327 1.00 0.00 C ATOM 152 CG ASP A 107 68.680 16.443 -4.350 1.00 0.00 C ATOM 153 OD1 ASP A 107 69.661 17.166 -4.305 1.00 0.00 O ATOM 154 OD2 ASP A 107 67.778 16.567 -5.164 1.00 0.00 O ATOM 0 H ASP A 107 68.600 12.610 -4.236 1.00 0.00 H new ATOM 0 HA ASP A 107 70.625 14.796 -3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 107 67.607 14.815 -3.418 1.00 0.00 H new ATOM 0 HB3 ASP A 107 68.629 15.716 -2.316 1.00 0.00 H new ATOM 159 N THR A 108 69.991 12.251 -2.289 1.00 0.00 N ATOM 160 CA THR A 108 70.297 11.474 -1.053 1.00 0.00 C ATOM 161 C THR A 108 71.798 11.532 -0.762 1.00 0.00 C ATOM 162 O THR A 108 72.572 12.028 -1.556 1.00 0.00 O ATOM 163 CB THR A 108 69.862 10.038 -1.361 1.00 0.00 C ATOM 164 OG1 THR A 108 68.899 10.051 -2.404 1.00 0.00 O ATOM 165 CG2 THR A 108 69.250 9.409 -0.109 1.00 0.00 C ATOM 0 H THR A 108 69.769 11.691 -3.112 1.00 0.00 H new ATOM 0 HA THR A 108 69.783 11.869 -0.177 1.00 0.00 H new ATOM 0 HB THR A 108 70.728 9.454 -1.672 1.00 0.00 H new ATOM 0 HG1 THR A 108 68.163 10.651 -2.162 1.00 0.00 H new ATOM 0 HG21 THR A 108 68.941 8.387 -0.329 1.00 0.00 H new ATOM 0 HG22 THR A 108 69.989 9.400 0.692 1.00 0.00 H new ATOM 0 HG23 THR A 108 68.383 9.991 0.204 1.00 0.00 H new ATOM 173 N THR A 109 72.218 11.031 0.365 1.00 0.00 N ATOM 174 CA THR A 109 73.672 11.061 0.694 1.00 0.00 C ATOM 175 C THR A 109 74.041 9.873 1.585 1.00 0.00 C ATOM 176 O THR A 109 73.187 9.209 2.137 1.00 0.00 O ATOM 177 CB THR A 109 73.882 12.376 1.443 1.00 0.00 C ATOM 178 OG1 THR A 109 73.148 12.348 2.660 1.00 0.00 O ATOM 179 CG2 THR A 109 73.400 13.541 0.578 1.00 0.00 C ATOM 0 H THR A 109 71.620 10.603 1.072 1.00 0.00 H new ATOM 0 HA THR A 109 74.296 10.994 -0.197 1.00 0.00 H new ATOM 0 HB THR A 109 74.942 12.506 1.662 1.00 0.00 H new ATOM 0 HG1 THR A 109 72.450 11.662 2.605 1.00 0.00 H new ATOM 0 HG21 THR A 109 73.550 14.478 1.114 1.00 0.00 H new ATOM 0 HG22 THR A 109 73.965 13.561 -0.354 1.00 0.00 H new ATOM 0 HG23 THR A 109 72.340 13.416 0.357 1.00 0.00 H new ATOM 187 N LYS A 110 75.308 9.605 1.736 1.00 0.00 N ATOM 188 CA LYS A 110 75.727 8.467 2.600 1.00 0.00 C ATOM 189 C LYS A 110 75.393 8.783 4.060 1.00 0.00 C ATOM 190 O LYS A 110 75.385 7.915 4.906 1.00 0.00 O ATOM 191 CB LYS A 110 77.243 8.352 2.401 1.00 0.00 C ATOM 192 CG LYS A 110 77.867 7.601 3.581 1.00 0.00 C ATOM 193 CD LYS A 110 79.382 7.515 3.390 1.00 0.00 C ATOM 194 CE LYS A 110 80.075 8.487 4.348 1.00 0.00 C ATOM 195 NZ LYS A 110 80.115 9.784 3.616 1.00 0.00 N ATOM 0 H LYS A 110 76.070 10.124 1.299 1.00 0.00 H new ATOM 0 HA LYS A 110 75.219 7.537 2.347 1.00 0.00 H new ATOM 0 HB2 LYS A 110 77.458 7.827 1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 110 77.684 9.345 2.316 1.00 0.00 H new ATOM 0 HG2 LYS A 110 77.636 8.114 4.515 1.00 0.00 H new ATOM 0 HG3 LYS A 110 77.442 6.600 3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 110 79.725 6.497 3.577 1.00 0.00 H new ATOM 0 HD3 LYS A 110 79.643 7.756 2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 110 79.525 8.579 5.284 1.00 0.00 H new ATOM 0 HE3 LYS A 110 81.079 8.145 4.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 81.030 10.249 3.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 79.996 9.611 2.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 79.347 10.398 3.955 1.00 0.00 H new ATOM 209 N LYS A 111 75.119 10.022 4.358 1.00 0.00 N ATOM 210 CA LYS A 111 74.786 10.394 5.763 1.00 0.00 C ATOM 211 C LYS A 111 73.322 10.068 6.068 1.00 0.00 C ATOM 212 O LYS A 111 73.023 9.255 6.922 1.00 0.00 O ATOM 213 CB LYS A 111 75.029 11.900 5.839 1.00 0.00 C ATOM 214 CG LYS A 111 74.478 12.439 7.160 1.00 0.00 C ATOM 215 CD LYS A 111 74.616 13.962 7.185 1.00 0.00 C ATOM 216 CE LYS A 111 73.269 14.591 7.545 1.00 0.00 C ATOM 217 NZ LYS A 111 72.428 14.421 6.328 1.00 0.00 N ATOM 0 H LYS A 111 75.111 10.793 3.691 1.00 0.00 H new ATOM 0 HA LYS A 111 75.387 9.846 6.489 1.00 0.00 H new ATOM 0 HB2 LYS A 111 76.096 12.111 5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 111 74.545 12.400 5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 111 73.431 12.156 7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 111 75.019 12.000 7.998 1.00 0.00 H new ATOM 0 HD2 LYS A 111 75.373 14.257 7.912 1.00 0.00 H new ATOM 0 HD3 LYS A 111 74.950 14.323 6.212 1.00 0.00 H new ATOM 0 HE2 LYS A 111 72.820 14.097 8.407 1.00 0.00 H new ATOM 0 HE3 LYS A 111 73.381 15.644 7.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 71.678 15.142 6.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 73.020 14.528 5.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 71.998 13.474 6.333 1.00 0.00 H new ATOM 231 N ASP A 112 72.406 10.694 5.381 1.00 0.00 N ATOM 232 CA ASP A 112 70.964 10.416 5.643 1.00 0.00 C ATOM 233 C ASP A 112 70.676 8.916 5.491 1.00 0.00 C ATOM 234 O ASP A 112 69.899 8.348 6.232 1.00 0.00 O ATOM 235 CB ASP A 112 70.199 11.239 4.597 1.00 0.00 C ATOM 236 CG ASP A 112 70.084 10.459 3.283 1.00 0.00 C ATOM 237 OD1 ASP A 112 71.109 10.045 2.770 1.00 0.00 O ATOM 238 OD2 ASP A 112 68.969 10.286 2.817 1.00 0.00 O ATOM 0 H ASP A 112 72.592 11.383 4.652 1.00 0.00 H new ATOM 0 HA ASP A 112 70.666 10.686 6.656 1.00 0.00 H new ATOM 0 HB2 ASP A 112 69.204 11.481 4.972 1.00 0.00 H new ATOM 0 HB3 ASP A 112 70.713 12.184 4.422 1.00 0.00 H new ATOM 243 N LEU A 113 71.297 8.271 4.540 1.00 0.00 N ATOM 244 CA LEU A 113 71.050 6.812 4.353 1.00 0.00 C ATOM 245 C LEU A 113 71.703 6.016 5.487 1.00 0.00 C ATOM 246 O LEU A 113 71.132 5.077 6.005 1.00 0.00 O ATOM 247 CB LEU A 113 71.694 6.461 3.010 1.00 0.00 C ATOM 248 CG LEU A 113 71.408 4.995 2.678 1.00 0.00 C ATOM 249 CD1 LEU A 113 70.005 4.870 2.082 1.00 0.00 C ATOM 250 CD2 LEU A 113 72.437 4.487 1.666 1.00 0.00 C ATOM 0 H LEU A 113 71.961 8.688 3.888 1.00 0.00 H new ATOM 0 HA LEU A 113 69.987 6.572 4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 113 71.300 7.107 2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 113 72.770 6.632 3.054 1.00 0.00 H new ATOM 0 HG LEU A 113 71.471 4.400 3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 113 69.802 3.826 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 113 69.270 5.229 2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 113 69.942 5.467 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 113 72.231 3.443 1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 113 72.376 5.083 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 113 73.437 4.573 2.090 1.00 0.00 H new ATOM 262 N LYS A 114 72.894 6.382 5.877 1.00 0.00 N ATOM 263 CA LYS A 114 73.574 5.640 6.979 1.00 0.00 C ATOM 264 C LYS A 114 72.751 5.728 8.264 1.00 0.00 C ATOM 265 O LYS A 114 72.527 4.742 8.936 1.00 0.00 O ATOM 266 CB LYS A 114 74.921 6.338 7.163 1.00 0.00 C ATOM 267 CG LYS A 114 75.987 5.611 6.342 1.00 0.00 C ATOM 268 CD LYS A 114 77.371 5.907 6.922 1.00 0.00 C ATOM 269 CE LYS A 114 78.128 4.593 7.127 1.00 0.00 C ATOM 270 NZ LYS A 114 78.328 4.491 8.600 1.00 0.00 N ATOM 0 H LYS A 114 73.424 7.159 5.483 1.00 0.00 H new ATOM 0 HA LYS A 114 73.692 4.582 6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 114 74.850 7.379 6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 114 75.199 6.343 8.217 1.00 0.00 H new ATOM 0 HG2 LYS A 114 75.799 4.537 6.352 1.00 0.00 H new ATOM 0 HG3 LYS A 114 75.941 5.932 5.301 1.00 0.00 H new ATOM 0 HD2 LYS A 114 77.928 6.559 6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 114 77.275 6.436 7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 114 77.558 3.745 6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 114 79.081 4.600 6.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 78.841 3.614 8.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 78.879 5.308 8.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 77.403 4.480 9.076 1.00 0.00 H new ATOM 284 N ASP A 115 72.299 6.901 8.618 1.00 0.00 N ATOM 285 CA ASP A 115 71.496 7.035 9.866 1.00 0.00 C ATOM 286 C ASP A 115 70.137 6.378 9.684 1.00 0.00 C ATOM 287 O ASP A 115 69.715 5.589 10.508 1.00 0.00 O ATOM 288 CB ASP A 115 71.352 8.540 10.100 1.00 0.00 C ATOM 289 CG ASP A 115 70.824 8.789 11.513 1.00 0.00 C ATOM 290 OD1 ASP A 115 71.206 8.051 12.407 1.00 0.00 O ATOM 291 OD2 ASP A 115 70.044 9.714 11.679 1.00 0.00 O ATOM 0 H ASP A 115 72.450 7.767 8.100 1.00 0.00 H new ATOM 0 HA ASP A 115 71.971 6.547 10.717 1.00 0.00 H new ATOM 0 HB2 ASP A 115 72.315 9.033 9.968 1.00 0.00 H new ATOM 0 HB3 ASP A 115 70.671 8.969 9.365 1.00 0.00 H new ATOM 296 N TYR A 116 69.453 6.659 8.614 1.00 0.00 N ATOM 297 CA TYR A 116 68.142 5.993 8.413 1.00 0.00 C ATOM 298 C TYR A 116 68.327 4.502 8.655 1.00 0.00 C ATOM 299 O TYR A 116 67.454 3.822 9.158 1.00 0.00 O ATOM 300 CB TYR A 116 67.770 6.235 6.955 1.00 0.00 C ATOM 301 CG TYR A 116 66.540 5.424 6.635 1.00 0.00 C ATOM 302 CD1 TYR A 116 65.277 5.933 6.952 1.00 0.00 C ATOM 303 CD2 TYR A 116 66.658 4.167 6.027 1.00 0.00 C ATOM 304 CE1 TYR A 116 64.128 5.186 6.661 1.00 0.00 C ATOM 305 CE2 TYR A 116 65.509 3.421 5.735 1.00 0.00 C ATOM 306 CZ TYR A 116 64.245 3.932 6.052 1.00 0.00 C ATOM 307 OH TYR A 116 63.113 3.198 5.765 1.00 0.00 O ATOM 0 H TYR A 116 69.739 7.309 7.882 1.00 0.00 H new ATOM 0 HA TYR A 116 67.371 6.370 9.084 1.00 0.00 H new ATOM 0 HB2 TYR A 116 67.581 7.295 6.783 1.00 0.00 H new ATOM 0 HB3 TYR A 116 68.594 5.948 6.301 1.00 0.00 H new ATOM 0 HD1 TYR A 116 65.187 6.902 7.421 1.00 0.00 H new ATOM 0 HD2 TYR A 116 67.634 3.774 5.784 1.00 0.00 H new ATOM 0 HE1 TYR A 116 63.152 5.578 6.907 1.00 0.00 H new ATOM 0 HE2 TYR A 116 65.598 2.452 5.266 1.00 0.00 H new ATOM 0 HH TYR A 116 63.368 2.279 5.540 1.00 0.00 H new ATOM 317 N PHE A 117 69.471 3.988 8.287 1.00 0.00 N ATOM 318 CA PHE A 117 69.729 2.541 8.479 1.00 0.00 C ATOM 319 C PHE A 117 70.400 2.267 9.828 1.00 0.00 C ATOM 320 O PHE A 117 70.540 1.133 10.241 1.00 0.00 O ATOM 321 CB PHE A 117 70.616 2.133 7.307 1.00 0.00 C ATOM 322 CG PHE A 117 69.728 1.837 6.124 1.00 0.00 C ATOM 323 CD1 PHE A 117 68.704 0.889 6.244 1.00 0.00 C ATOM 324 CD2 PHE A 117 69.916 2.517 4.915 1.00 0.00 C ATOM 325 CE1 PHE A 117 67.868 0.621 5.155 1.00 0.00 C ATOM 326 CE2 PHE A 117 69.079 2.249 3.825 1.00 0.00 C ATOM 327 CZ PHE A 117 68.056 1.300 3.946 1.00 0.00 C ATOM 0 H PHE A 117 70.235 4.513 7.862 1.00 0.00 H new ATOM 0 HA PHE A 117 68.805 1.962 8.498 1.00 0.00 H new ATOM 0 HB2 PHE A 117 71.317 2.932 7.065 1.00 0.00 H new ATOM 0 HB3 PHE A 117 71.209 1.256 7.566 1.00 0.00 H new ATOM 0 HD1 PHE A 117 68.560 0.365 7.177 1.00 0.00 H new ATOM 0 HD2 PHE A 117 70.706 3.248 4.823 1.00 0.00 H new ATOM 0 HE1 PHE A 117 67.078 -0.110 5.247 1.00 0.00 H new ATOM 0 HE2 PHE A 117 69.222 2.774 2.892 1.00 0.00 H new ATOM 0 HZ PHE A 117 67.411 1.092 3.105 1.00 0.00 H new ATOM 337 N SER A 118 70.795 3.287 10.531 1.00 0.00 N ATOM 338 CA SER A 118 71.424 3.062 11.861 1.00 0.00 C ATOM 339 C SER A 118 70.351 2.593 12.845 1.00 0.00 C ATOM 340 O SER A 118 70.639 2.188 13.954 1.00 0.00 O ATOM 341 CB SER A 118 71.978 4.424 12.280 1.00 0.00 C ATOM 342 OG SER A 118 73.190 4.672 11.580 1.00 0.00 O ATOM 0 H SER A 118 70.711 4.263 10.246 1.00 0.00 H new ATOM 0 HA SER A 118 72.208 2.305 11.837 1.00 0.00 H new ATOM 0 HB2 SER A 118 71.252 5.207 12.063 1.00 0.00 H new ATOM 0 HB3 SER A 118 72.155 4.443 13.355 1.00 0.00 H new ATOM 0 HG SER A 118 73.019 4.658 10.615 1.00 0.00 H new ATOM 348 N LYS A 119 69.109 2.650 12.437 1.00 0.00 N ATOM 349 CA LYS A 119 67.998 2.214 13.327 1.00 0.00 C ATOM 350 C LYS A 119 67.850 0.690 13.276 1.00 0.00 C ATOM 351 O LYS A 119 67.228 0.088 14.129 1.00 0.00 O ATOM 352 CB LYS A 119 66.757 2.903 12.758 1.00 0.00 C ATOM 353 CG LYS A 119 66.892 4.418 12.931 1.00 0.00 C ATOM 354 CD LYS A 119 65.502 5.054 12.983 1.00 0.00 C ATOM 355 CE LYS A 119 65.634 6.560 13.221 1.00 0.00 C ATOM 356 NZ LYS A 119 65.111 7.193 11.978 1.00 0.00 N ATOM 0 H LYS A 119 68.818 2.983 11.518 1.00 0.00 H new ATOM 0 HA LYS A 119 68.167 2.476 14.372 1.00 0.00 H new ATOM 0 HB2 LYS A 119 66.642 2.655 11.703 1.00 0.00 H new ATOM 0 HB3 LYS A 119 65.863 2.546 13.269 1.00 0.00 H new ATOM 0 HG2 LYS A 119 67.440 4.642 13.846 1.00 0.00 H new ATOM 0 HG3 LYS A 119 67.465 4.839 12.105 1.00 0.00 H new ATOM 0 HD2 LYS A 119 64.971 4.869 12.049 1.00 0.00 H new ATOM 0 HD3 LYS A 119 64.913 4.600 13.780 1.00 0.00 H new ATOM 0 HE2 LYS A 119 65.062 6.873 14.094 1.00 0.00 H new ATOM 0 HE3 LYS A 119 66.671 6.842 13.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 65.169 8.228 12.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 65.679 6.882 11.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 64.120 6.912 11.836 1.00 0.00 H new ATOM 370 N PHE A 120 68.430 0.059 12.290 1.00 0.00 N ATOM 371 CA PHE A 120 68.333 -1.425 12.199 1.00 0.00 C ATOM 372 C PHE A 120 69.489 -2.051 12.975 1.00 0.00 C ATOM 373 O PHE A 120 69.300 -2.860 13.861 1.00 0.00 O ATOM 374 CB PHE A 120 68.473 -1.758 10.712 1.00 0.00 C ATOM 375 CG PHE A 120 67.422 -1.037 9.904 1.00 0.00 C ATOM 376 CD1 PHE A 120 67.650 0.272 9.465 1.00 0.00 C ATOM 377 CD2 PHE A 120 66.228 -1.686 9.572 1.00 0.00 C ATOM 378 CE1 PHE A 120 66.687 0.933 8.698 1.00 0.00 C ATOM 379 CE2 PHE A 120 65.265 -1.027 8.800 1.00 0.00 C ATOM 380 CZ PHE A 120 65.494 0.284 8.365 1.00 0.00 C ATOM 0 H PHE A 120 68.965 0.507 11.546 1.00 0.00 H new ATOM 0 HA PHE A 120 67.397 -1.802 12.611 1.00 0.00 H new ATOM 0 HB2 PHE A 120 69.466 -1.475 10.362 1.00 0.00 H new ATOM 0 HB3 PHE A 120 68.378 -2.834 10.564 1.00 0.00 H new ATOM 0 HD1 PHE A 120 68.572 0.773 9.720 1.00 0.00 H new ATOM 0 HD2 PHE A 120 66.050 -2.696 9.912 1.00 0.00 H new ATOM 0 HE1 PHE A 120 66.864 1.944 8.363 1.00 0.00 H new ATOM 0 HE2 PHE A 120 64.345 -1.529 8.540 1.00 0.00 H new ATOM 0 HZ PHE A 120 64.749 0.794 7.772 1.00 0.00 H new ATOM 390 N GLY A 121 70.688 -1.671 12.637 1.00 0.00 N ATOM 391 CA GLY A 121 71.881 -2.223 13.336 1.00 0.00 C ATOM 392 C GLY A 121 73.097 -1.349 13.025 1.00 0.00 C ATOM 393 O GLY A 121 72.968 -0.230 12.567 1.00 0.00 O ATOM 0 H GLY A 121 70.895 -0.996 11.901 1.00 0.00 H new ATOM 0 HA2 GLY A 121 71.705 -2.253 14.411 1.00 0.00 H new ATOM 0 HA3 GLY A 121 72.064 -3.248 13.014 1.00 0.00 H new ATOM 397 N GLU A 122 74.278 -1.846 13.267 1.00 0.00 N ATOM 398 CA GLU A 122 75.500 -1.040 12.983 1.00 0.00 C ATOM 399 C GLU A 122 75.943 -1.238 11.530 1.00 0.00 C ATOM 400 O GLU A 122 75.884 -2.326 10.996 1.00 0.00 O ATOM 401 CB GLU A 122 76.562 -1.575 13.943 1.00 0.00 C ATOM 402 CG GLU A 122 77.200 -0.410 14.703 1.00 0.00 C ATOM 403 CD GLU A 122 76.913 -0.559 16.198 1.00 0.00 C ATOM 404 OE1 GLU A 122 75.871 -0.096 16.632 1.00 0.00 O ATOM 405 OE2 GLU A 122 77.742 -1.132 16.886 1.00 0.00 O ATOM 0 H GLU A 122 74.451 -2.776 13.649 1.00 0.00 H new ATOM 0 HA GLU A 122 75.328 0.028 13.119 1.00 0.00 H new ATOM 0 HB2 GLU A 122 76.112 -2.277 14.645 1.00 0.00 H new ATOM 0 HB3 GLU A 122 77.325 -2.122 13.389 1.00 0.00 H new ATOM 0 HG2 GLU A 122 78.276 -0.393 14.528 1.00 0.00 H new ATOM 0 HG3 GLU A 122 76.803 0.537 14.338 1.00 0.00 H new ATOM 412 N VAL A 123 76.388 -0.192 10.890 1.00 0.00 N ATOM 413 CA VAL A 123 76.842 -0.313 9.472 1.00 0.00 C ATOM 414 C VAL A 123 78.345 -0.085 9.363 1.00 0.00 C ATOM 415 O VAL A 123 78.885 0.867 9.888 1.00 0.00 O ATOM 416 CB VAL A 123 76.065 0.771 8.707 1.00 0.00 C ATOM 417 CG1 VAL A 123 76.904 1.333 7.551 1.00 0.00 C ATOM 418 CG2 VAL A 123 74.812 0.143 8.114 1.00 0.00 C ATOM 0 H VAL A 123 76.458 0.745 11.287 1.00 0.00 H new ATOM 0 HA VAL A 123 76.654 -1.308 9.068 1.00 0.00 H new ATOM 0 HB VAL A 123 75.820 1.577 9.399 1.00 0.00 H new ATOM 0 HG11 VAL A 123 76.333 2.098 7.025 1.00 0.00 H new ATOM 0 HG12 VAL A 123 77.820 1.772 7.946 1.00 0.00 H new ATOM 0 HG13 VAL A 123 77.156 0.529 6.860 1.00 0.00 H new ATOM 0 HG21 VAL A 123 74.249 0.900 7.568 1.00 0.00 H new ATOM 0 HG22 VAL A 123 75.095 -0.660 7.434 1.00 0.00 H new ATOM 0 HG23 VAL A 123 74.193 -0.261 8.915 1.00 0.00 H new ATOM 428 N VAL A 124 79.013 -0.937 8.644 1.00 0.00 N ATOM 429 CA VAL A 124 80.468 -0.756 8.451 1.00 0.00 C ATOM 430 C VAL A 124 80.671 0.115 7.218 1.00 0.00 C ATOM 431 O VAL A 124 81.676 0.780 7.070 1.00 0.00 O ATOM 432 CB VAL A 124 81.032 -2.164 8.213 1.00 0.00 C ATOM 433 CG1 VAL A 124 82.264 -2.089 7.300 1.00 0.00 C ATOM 434 CG2 VAL A 124 81.433 -2.784 9.552 1.00 0.00 C ATOM 0 H VAL A 124 78.610 -1.752 8.182 1.00 0.00 H new ATOM 0 HA VAL A 124 80.960 -0.280 9.300 1.00 0.00 H new ATOM 0 HB VAL A 124 80.268 -2.778 7.735 1.00 0.00 H new ATOM 0 HG11 VAL A 124 82.657 -3.092 7.137 1.00 0.00 H new ATOM 0 HG12 VAL A 124 81.982 -1.650 6.343 1.00 0.00 H new ATOM 0 HG13 VAL A 124 83.029 -1.472 7.771 1.00 0.00 H new ATOM 0 HG21 VAL A 124 81.834 -3.784 9.385 1.00 0.00 H new ATOM 0 HG22 VAL A 124 82.193 -2.164 10.027 1.00 0.00 H new ATOM 0 HG23 VAL A 124 80.559 -2.847 10.200 1.00 0.00 H new ATOM 444 N ASP A 125 79.725 0.102 6.318 1.00 0.00 N ATOM 445 CA ASP A 125 79.895 0.923 5.096 1.00 0.00 C ATOM 446 C ASP A 125 78.554 1.433 4.554 1.00 0.00 C ATOM 447 O ASP A 125 77.496 0.968 4.926 1.00 0.00 O ATOM 448 CB ASP A 125 80.570 -0.002 4.081 1.00 0.00 C ATOM 449 CG ASP A 125 82.071 0.296 4.036 1.00 0.00 C ATOM 450 OD1 ASP A 125 82.422 1.449 3.851 1.00 0.00 O ATOM 451 OD2 ASP A 125 82.844 -0.638 4.188 1.00 0.00 O ATOM 0 H ASP A 125 78.858 -0.433 6.377 1.00 0.00 H new ATOM 0 HA ASP A 125 80.487 1.815 5.303 1.00 0.00 H new ATOM 0 HB2 ASP A 125 80.404 -1.044 4.356 1.00 0.00 H new ATOM 0 HB3 ASP A 125 80.130 0.142 3.094 1.00 0.00 H new ATOM 456 N CYS A 126 78.612 2.393 3.668 1.00 0.00 N ATOM 457 CA CYS A 126 77.371 2.965 3.068 1.00 0.00 C ATOM 458 C CYS A 126 77.753 3.887 1.911 1.00 0.00 C ATOM 459 O CYS A 126 78.806 4.496 1.915 1.00 0.00 O ATOM 460 CB CYS A 126 76.705 3.755 4.196 1.00 0.00 C ATOM 461 SG CYS A 126 75.007 4.167 3.725 1.00 0.00 S ATOM 0 H CYS A 126 79.479 2.810 3.330 1.00 0.00 H new ATOM 0 HA CYS A 126 76.701 2.202 2.672 1.00 0.00 H new ATOM 0 HB2 CYS A 126 76.707 3.169 5.115 1.00 0.00 H new ATOM 0 HB3 CYS A 126 77.269 4.666 4.398 1.00 0.00 H new ATOM 0 HG CYS A 126 74.197 3.830 4.684 1.00 0.00 H new ATOM 467 N THR A 127 76.924 3.984 0.913 1.00 0.00 N ATOM 468 CA THR A 127 77.269 4.853 -0.243 1.00 0.00 C ATOM 469 C THR A 127 75.996 5.415 -0.896 1.00 0.00 C ATOM 470 O THR A 127 74.908 4.912 -0.701 1.00 0.00 O ATOM 471 CB THR A 127 78.041 3.914 -1.187 1.00 0.00 C ATOM 472 OG1 THR A 127 79.432 4.169 -1.060 1.00 0.00 O ATOM 473 CG2 THR A 127 77.618 4.133 -2.638 1.00 0.00 C ATOM 0 H THR A 127 76.027 3.502 0.847 1.00 0.00 H new ATOM 0 HA THR A 127 77.858 5.728 0.032 1.00 0.00 H new ATOM 0 HB THR A 127 77.819 2.883 -0.914 1.00 0.00 H new ATOM 0 HG1 THR A 127 79.645 4.360 -0.123 1.00 0.00 H new ATOM 0 HG21 THR A 127 78.177 3.458 -3.286 1.00 0.00 H new ATOM 0 HG22 THR A 127 76.551 3.933 -2.740 1.00 0.00 H new ATOM 0 HG23 THR A 127 77.823 5.164 -2.925 1.00 0.00 H new ATOM 481 N LEU A 128 76.137 6.453 -1.677 1.00 0.00 N ATOM 482 CA LEU A 128 74.953 7.054 -2.356 1.00 0.00 C ATOM 483 C LEU A 128 75.345 7.521 -3.757 1.00 0.00 C ATOM 484 O LEU A 128 76.322 8.221 -3.940 1.00 0.00 O ATOM 485 CB LEU A 128 74.545 8.246 -1.477 1.00 0.00 C ATOM 486 CG LEU A 128 73.787 9.303 -2.303 1.00 0.00 C ATOM 487 CD1 LEU A 128 74.782 10.164 -3.082 1.00 0.00 C ATOM 488 CD2 LEU A 128 72.827 8.624 -3.286 1.00 0.00 C ATOM 0 H LEU A 128 77.026 6.912 -1.874 1.00 0.00 H new ATOM 0 HA LEU A 128 74.133 6.345 -2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 128 73.916 7.900 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 128 75.432 8.695 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 128 73.214 9.931 -1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 128 74.240 10.909 -3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 128 75.453 10.666 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 128 75.363 9.532 -3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 128 72.299 9.384 -3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 128 73.392 7.983 -3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 128 72.106 8.022 -2.733 1.00 0.00 H new ATOM 500 N LYS A 129 74.582 7.154 -4.743 1.00 0.00 N ATOM 501 CA LYS A 129 74.901 7.591 -6.127 1.00 0.00 C ATOM 502 C LYS A 129 73.927 8.690 -6.554 1.00 0.00 C ATOM 503 O LYS A 129 72.776 8.430 -6.866 1.00 0.00 O ATOM 504 CB LYS A 129 74.730 6.344 -6.990 1.00 0.00 C ATOM 505 CG LYS A 129 75.722 5.269 -6.538 1.00 0.00 C ATOM 506 CD LYS A 129 76.921 5.248 -7.488 1.00 0.00 C ATOM 507 CE LYS A 129 77.595 3.875 -7.435 1.00 0.00 C ATOM 508 NZ LYS A 129 78.721 4.038 -6.474 1.00 0.00 N ATOM 0 H LYS A 129 73.751 6.570 -4.651 1.00 0.00 H new ATOM 0 HA LYS A 129 75.907 8.001 -6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 129 73.710 5.970 -6.908 1.00 0.00 H new ATOM 0 HB3 LYS A 129 74.896 6.589 -8.039 1.00 0.00 H new ATOM 0 HG2 LYS A 129 76.055 5.471 -5.520 1.00 0.00 H new ATOM 0 HG3 LYS A 129 75.237 4.293 -6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 129 76.595 5.465 -8.505 1.00 0.00 H new ATOM 0 HD3 LYS A 129 77.633 6.025 -7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 129 76.899 3.106 -7.101 1.00 0.00 H new ATOM 0 HE3 LYS A 129 77.955 3.574 -8.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 79.233 3.137 -6.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 79.371 4.772 -6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 78.347 4.319 -5.545 1.00 0.00 H new ATOM 522 N LEU A 130 74.386 9.915 -6.559 1.00 0.00 N ATOM 523 CA LEU A 130 73.514 11.057 -6.958 1.00 0.00 C ATOM 524 C LEU A 130 74.359 12.112 -7.688 1.00 0.00 C ATOM 525 O LEU A 130 73.933 13.231 -7.892 1.00 0.00 O ATOM 526 CB LEU A 130 72.934 11.596 -5.634 1.00 0.00 C ATOM 527 CG LEU A 130 73.698 12.838 -5.156 1.00 0.00 C ATOM 528 CD1 LEU A 130 73.156 13.280 -3.795 1.00 0.00 C ATOM 529 CD2 LEU A 130 75.186 12.509 -5.025 1.00 0.00 C ATOM 0 H LEU A 130 75.338 10.174 -6.301 1.00 0.00 H new ATOM 0 HA LEU A 130 72.715 10.772 -7.643 1.00 0.00 H new ATOM 0 HB2 LEU A 130 71.881 11.844 -5.770 1.00 0.00 H new ATOM 0 HB3 LEU A 130 72.983 10.820 -4.870 1.00 0.00 H new ATOM 0 HG LEU A 130 73.566 13.641 -5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 130 73.699 14.162 -3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 130 72.096 13.519 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 130 73.286 12.474 -3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 130 75.726 13.393 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 130 75.318 11.703 -4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 130 75.576 12.196 -5.993 1.00 0.00 H new ATOM 541 N ASP A 131 75.557 11.756 -8.076 1.00 0.00 N ATOM 542 CA ASP A 131 76.439 12.726 -8.787 1.00 0.00 C ATOM 543 C ASP A 131 75.628 13.560 -9.784 1.00 0.00 C ATOM 544 O ASP A 131 75.313 13.104 -10.864 1.00 0.00 O ATOM 545 CB ASP A 131 77.464 11.862 -9.521 1.00 0.00 C ATOM 546 CG ASP A 131 78.695 11.662 -8.635 1.00 0.00 C ATOM 547 OD1 ASP A 131 78.645 12.061 -7.483 1.00 0.00 O ATOM 548 OD2 ASP A 131 79.669 11.113 -9.124 1.00 0.00 O ATOM 0 H ASP A 131 75.962 10.832 -7.930 1.00 0.00 H new ATOM 0 HA ASP A 131 76.911 13.430 -8.101 1.00 0.00 H new ATOM 0 HB2 ASP A 131 77.026 10.897 -9.775 1.00 0.00 H new ATOM 0 HB3 ASP A 131 77.752 12.338 -10.458 1.00 0.00 H new ATOM 553 N PRO A 132 75.317 14.760 -9.376 1.00 0.00 N ATOM 554 CA PRO A 132 74.534 15.676 -10.235 1.00 0.00 C ATOM 555 C PRO A 132 75.434 16.325 -11.292 1.00 0.00 C ATOM 556 O PRO A 132 74.964 16.852 -12.281 1.00 0.00 O ATOM 557 CB PRO A 132 74.013 16.720 -9.254 1.00 0.00 C ATOM 558 CG PRO A 132 74.982 16.714 -8.111 1.00 0.00 C ATOM 559 CD PRO A 132 75.662 15.367 -8.087 1.00 0.00 C ATOM 0 HA PRO A 132 73.738 15.173 -10.784 1.00 0.00 H new ATOM 0 HB2 PRO A 132 73.961 17.704 -9.719 1.00 0.00 H new ATOM 0 HB3 PRO A 132 73.006 16.473 -8.916 1.00 0.00 H new ATOM 0 HG2 PRO A 132 75.717 17.510 -8.229 1.00 0.00 H new ATOM 0 HG3 PRO A 132 74.463 16.896 -7.170 1.00 0.00 H new ATOM 0 HD2 PRO A 132 76.741 15.469 -7.972 1.00 0.00 H new ATOM 0 HD3 PRO A 132 75.309 14.759 -7.254 1.00 0.00 H new ATOM 567 N ILE A 133 76.724 16.299 -11.087 1.00 0.00 N ATOM 568 CA ILE A 133 77.652 16.921 -12.077 1.00 0.00 C ATOM 569 C ILE A 133 78.190 15.858 -13.042 1.00 0.00 C ATOM 570 O ILE A 133 78.332 16.096 -14.226 1.00 0.00 O ATOM 571 CB ILE A 133 78.780 17.526 -11.229 1.00 0.00 C ATOM 572 CG1 ILE A 133 79.448 18.668 -11.999 1.00 0.00 C ATOM 573 CG2 ILE A 133 79.825 16.456 -10.896 1.00 0.00 C ATOM 574 CD1 ILE A 133 79.729 18.222 -13.430 1.00 0.00 C ATOM 0 H ILE A 133 77.176 15.874 -10.277 1.00 0.00 H new ATOM 0 HA ILE A 133 77.164 17.675 -12.694 1.00 0.00 H new ATOM 0 HB ILE A 133 78.355 17.909 -10.301 1.00 0.00 H new ATOM 0 HG12 ILE A 133 78.802 19.546 -12.001 1.00 0.00 H new ATOM 0 HG13 ILE A 133 80.377 18.957 -11.508 1.00 0.00 H new ATOM 0 HG21 ILE A 133 80.619 16.898 -10.294 1.00 0.00 H new ATOM 0 HG22 ILE A 133 79.353 15.648 -10.337 1.00 0.00 H new ATOM 0 HG23 ILE A 133 80.247 16.060 -11.820 1.00 0.00 H new ATOM 0 HD11 ILE A 133 80.205 19.035 -13.978 1.00 0.00 H new ATOM 0 HD12 ILE A 133 80.392 17.357 -13.418 1.00 0.00 H new ATOM 0 HD13 ILE A 133 78.792 17.955 -13.918 1.00 0.00 H new ATOM 586 N THR A 134 78.494 14.689 -12.546 1.00 0.00 N ATOM 587 CA THR A 134 79.027 13.617 -13.437 1.00 0.00 C ATOM 588 C THR A 134 77.880 12.779 -14.011 1.00 0.00 C ATOM 589 O THR A 134 78.096 11.752 -14.622 1.00 0.00 O ATOM 590 CB THR A 134 79.924 12.755 -12.542 1.00 0.00 C ATOM 591 OG1 THR A 134 79.948 13.293 -11.227 1.00 0.00 O ATOM 592 CG2 THR A 134 81.342 12.733 -13.112 1.00 0.00 C ATOM 0 H THR A 134 78.397 14.430 -11.564 1.00 0.00 H new ATOM 0 HA THR A 134 79.574 14.028 -14.285 1.00 0.00 H new ATOM 0 HB THR A 134 79.530 11.739 -12.507 1.00 0.00 H new ATOM 0 HG1 THR A 134 80.400 12.665 -10.625 1.00 0.00 H new ATOM 0 HG21 THR A 134 81.980 12.120 -12.476 1.00 0.00 H new ATOM 0 HG22 THR A 134 81.323 12.314 -14.118 1.00 0.00 H new ATOM 0 HG23 THR A 134 81.735 13.749 -13.149 1.00 0.00 H new ATOM 600 N GLY A 135 76.663 13.213 -13.824 1.00 0.00 N ATOM 601 CA GLY A 135 75.506 12.444 -14.366 1.00 0.00 C ATOM 602 C GLY A 135 75.485 11.040 -13.757 1.00 0.00 C ATOM 603 O GLY A 135 74.820 10.151 -14.252 1.00 0.00 O ATOM 0 H GLY A 135 76.420 14.066 -13.320 1.00 0.00 H new ATOM 0 HA2 GLY A 135 74.575 12.963 -14.139 1.00 0.00 H new ATOM 0 HA3 GLY A 135 75.578 12.378 -15.452 1.00 0.00 H new ATOM 607 N ARG A 136 76.203 10.831 -12.688 1.00 0.00 N ATOM 608 CA ARG A 136 76.214 9.481 -12.056 1.00 0.00 C ATOM 609 C ARG A 136 75.147 9.400 -10.964 1.00 0.00 C ATOM 610 O ARG A 136 75.194 8.556 -10.092 1.00 0.00 O ATOM 611 CB ARG A 136 77.612 9.330 -11.456 1.00 0.00 C ATOM 612 CG ARG A 136 78.332 8.156 -12.124 1.00 0.00 C ATOM 613 CD ARG A 136 78.731 8.547 -13.549 1.00 0.00 C ATOM 614 NE ARG A 136 79.146 7.272 -14.198 1.00 0.00 N ATOM 615 CZ ARG A 136 78.878 7.068 -15.458 1.00 0.00 C ATOM 616 NH1 ARG A 136 77.730 7.446 -15.949 1.00 0.00 N ATOM 617 NH2 ARG A 136 79.758 6.487 -16.227 1.00 0.00 N ATOM 0 H ARG A 136 76.781 11.533 -12.226 1.00 0.00 H new ATOM 0 HA ARG A 136 75.994 8.690 -12.773 1.00 0.00 H new ATOM 0 HB2 ARG A 136 78.182 10.248 -11.599 1.00 0.00 H new ATOM 0 HB3 ARG A 136 77.542 9.163 -10.381 1.00 0.00 H new ATOM 0 HG2 ARG A 136 79.217 7.883 -11.549 1.00 0.00 H new ATOM 0 HG3 ARG A 136 77.683 7.281 -12.144 1.00 0.00 H new ATOM 0 HD2 ARG A 136 77.897 9.007 -14.080 1.00 0.00 H new ATOM 0 HD3 ARG A 136 79.545 9.271 -13.546 1.00 0.00 H new ATOM 0 HE ARG A 136 79.639 6.560 -13.658 1.00 0.00 H new ATOM 0 HH11 ARG A 136 77.043 7.901 -15.348 1.00 0.00 H new ATOM 0 HH12 ARG A 136 77.519 7.287 -16.934 1.00 0.00 H new ATOM 0 HH21 ARG A 136 80.656 6.192 -15.843 1.00 0.00 H new ATOM 0 HH22 ARG A 136 79.548 6.328 -17.212 1.00 0.00 H new ATOM 631 N SER A 137 74.184 10.273 -11.017 1.00 0.00 N ATOM 632 CA SER A 137 73.101 10.258 -9.992 1.00 0.00 C ATOM 633 C SER A 137 71.941 9.376 -10.461 1.00 0.00 C ATOM 634 O SER A 137 70.926 9.863 -10.916 1.00 0.00 O ATOM 635 CB SER A 137 72.645 11.712 -9.871 1.00 0.00 C ATOM 636 OG SER A 137 71.835 12.043 -10.991 1.00 0.00 O ATOM 0 H SER A 137 74.098 11.000 -11.727 1.00 0.00 H new ATOM 0 HA SER A 137 73.445 9.857 -9.039 1.00 0.00 H new ATOM 0 HB2 SER A 137 72.084 11.854 -8.947 1.00 0.00 H new ATOM 0 HB3 SER A 137 73.510 12.374 -9.824 1.00 0.00 H new ATOM 0 HG SER A 137 71.021 11.497 -10.979 1.00 0.00 H new ATOM 642 N ARG A 138 72.075 8.084 -10.347 1.00 0.00 N ATOM 643 CA ARG A 138 70.966 7.188 -10.778 1.00 0.00 C ATOM 644 C ARG A 138 70.013 6.964 -9.603 1.00 0.00 C ATOM 645 O ARG A 138 69.141 6.119 -9.641 1.00 0.00 O ATOM 646 CB ARG A 138 71.641 5.881 -11.193 1.00 0.00 C ATOM 647 CG ARG A 138 70.921 5.298 -12.409 1.00 0.00 C ATOM 648 CD ARG A 138 71.683 5.670 -13.683 1.00 0.00 C ATOM 649 NE ARG A 138 71.137 4.764 -14.732 1.00 0.00 N ATOM 650 CZ ARG A 138 71.049 5.175 -15.968 1.00 0.00 C ATOM 651 NH1 ARG A 138 71.901 6.049 -16.429 1.00 0.00 N ATOM 652 NH2 ARG A 138 70.110 4.708 -16.745 1.00 0.00 N ATOM 0 H ARG A 138 72.900 7.612 -9.976 1.00 0.00 H new ATOM 0 HA ARG A 138 70.379 7.605 -11.597 1.00 0.00 H new ATOM 0 HB2 ARG A 138 72.690 6.060 -11.430 1.00 0.00 H new ATOM 0 HB3 ARG A 138 71.618 5.169 -10.368 1.00 0.00 H new ATOM 0 HG2 ARG A 138 70.851 4.214 -12.318 1.00 0.00 H new ATOM 0 HG3 ARG A 138 69.901 5.680 -12.458 1.00 0.00 H new ATOM 0 HD2 ARG A 138 71.528 6.717 -13.945 1.00 0.00 H new ATOM 0 HD3 ARG A 138 72.756 5.528 -13.557 1.00 0.00 H new ATOM 0 HE ARG A 138 70.832 3.823 -14.485 1.00 0.00 H new ATOM 0 HH11 ARG A 138 72.637 6.412 -15.823 1.00 0.00 H new ATOM 0 HH12 ARG A 138 71.831 6.369 -17.395 1.00 0.00 H new ATOM 0 HH21 ARG A 138 69.445 4.022 -16.386 1.00 0.00 H new ATOM 0 HH22 ARG A 138 70.041 5.029 -17.711 1.00 0.00 H new ATOM 666 N GLY A 139 70.173 7.735 -8.560 1.00 0.00 N ATOM 667 CA GLY A 139 69.282 7.599 -7.376 1.00 0.00 C ATOM 668 C GLY A 139 69.441 6.219 -6.742 1.00 0.00 C ATOM 669 O GLY A 139 68.526 5.419 -6.750 1.00 0.00 O ATOM 0 H GLY A 139 70.888 8.457 -8.479 1.00 0.00 H new ATOM 0 HA2 GLY A 139 69.519 8.371 -6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 139 68.245 7.751 -7.675 1.00 0.00 H new ATOM 673 N PHE A 140 70.583 5.927 -6.179 1.00 0.00 N ATOM 674 CA PHE A 140 70.758 4.590 -5.532 1.00 0.00 C ATOM 675 C PHE A 140 72.060 4.535 -4.734 1.00 0.00 C ATOM 676 O PHE A 140 73.114 4.900 -5.213 1.00 0.00 O ATOM 677 CB PHE A 140 70.773 3.574 -6.675 1.00 0.00 C ATOM 678 CG PHE A 140 72.103 3.610 -7.390 1.00 0.00 C ATOM 679 CD1 PHE A 140 72.393 4.654 -8.275 1.00 0.00 C ATOM 680 CD2 PHE A 140 73.042 2.593 -7.179 1.00 0.00 C ATOM 681 CE1 PHE A 140 73.618 4.681 -8.949 1.00 0.00 C ATOM 682 CE2 PHE A 140 74.269 2.621 -7.851 1.00 0.00 C ATOM 683 CZ PHE A 140 74.558 3.665 -8.737 1.00 0.00 C ATOM 0 H PHE A 140 71.393 6.545 -6.138 1.00 0.00 H new ATOM 0 HA PHE A 140 69.956 4.382 -4.824 1.00 0.00 H new ATOM 0 HB2 PHE A 140 70.590 2.573 -6.284 1.00 0.00 H new ATOM 0 HB3 PHE A 140 69.969 3.794 -7.377 1.00 0.00 H new ATOM 0 HD1 PHE A 140 71.670 5.440 -8.438 1.00 0.00 H new ATOM 0 HD2 PHE A 140 72.819 1.786 -6.497 1.00 0.00 H new ATOM 0 HE1 PHE A 140 73.839 5.486 -9.634 1.00 0.00 H new ATOM 0 HE2 PHE A 140 74.993 1.837 -7.686 1.00 0.00 H new ATOM 0 HZ PHE A 140 75.505 3.687 -9.256 1.00 0.00 H new ATOM 693 N GLY A 141 71.990 4.075 -3.514 1.00 0.00 N ATOM 694 CA GLY A 141 73.218 3.987 -2.678 1.00 0.00 C ATOM 695 C GLY A 141 73.377 2.557 -2.163 1.00 0.00 C ATOM 696 O GLY A 141 72.518 1.719 -2.353 1.00 0.00 O ATOM 0 H GLY A 141 71.133 3.756 -3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 141 74.092 4.274 -3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 141 73.153 4.682 -1.841 1.00 0.00 H new ATOM 700 N PHE A 142 74.470 2.268 -1.515 1.00 0.00 N ATOM 701 CA PHE A 142 74.679 0.888 -0.994 1.00 0.00 C ATOM 702 C PHE A 142 74.754 0.905 0.533 1.00 0.00 C ATOM 703 O PHE A 142 75.052 1.914 1.139 1.00 0.00 O ATOM 704 CB PHE A 142 76.022 0.447 -1.578 1.00 0.00 C ATOM 705 CG PHE A 142 75.829 -0.072 -2.982 1.00 0.00 C ATOM 706 CD1 PHE A 142 75.333 0.776 -3.981 1.00 0.00 C ATOM 707 CD2 PHE A 142 76.150 -1.400 -3.285 1.00 0.00 C ATOM 708 CE1 PHE A 142 75.156 0.292 -5.285 1.00 0.00 C ATOM 709 CE2 PHE A 142 75.975 -1.882 -4.589 1.00 0.00 C ATOM 710 CZ PHE A 142 75.476 -1.036 -5.588 1.00 0.00 C ATOM 0 H PHE A 142 75.226 2.925 -1.324 1.00 0.00 H new ATOM 0 HA PHE A 142 73.866 0.217 -1.270 1.00 0.00 H new ATOM 0 HB2 PHE A 142 76.718 1.286 -1.584 1.00 0.00 H new ATOM 0 HB3 PHE A 142 76.463 -0.329 -0.952 1.00 0.00 H new ATOM 0 HD1 PHE A 142 75.087 1.801 -3.747 1.00 0.00 H new ATOM 0 HD2 PHE A 142 76.532 -2.053 -2.514 1.00 0.00 H new ATOM 0 HE1 PHE A 142 74.773 0.944 -6.056 1.00 0.00 H new ATOM 0 HE2 PHE A 142 76.225 -2.906 -4.824 1.00 0.00 H new ATOM 0 HZ PHE A 142 75.338 -1.409 -6.592 1.00 0.00 H new ATOM 720 N VAL A 143 74.498 -0.210 1.156 1.00 0.00 N ATOM 721 CA VAL A 143 74.569 -0.263 2.642 1.00 0.00 C ATOM 722 C VAL A 143 75.240 -1.560 3.085 1.00 0.00 C ATOM 723 O VAL A 143 74.835 -2.650 2.725 1.00 0.00 O ATOM 724 CB VAL A 143 73.117 -0.190 3.123 1.00 0.00 C ATOM 725 CG1 VAL A 143 73.027 -0.618 4.592 1.00 0.00 C ATOM 726 CG2 VAL A 143 72.614 1.249 2.985 1.00 0.00 C ATOM 0 H VAL A 143 74.243 -1.087 0.701 1.00 0.00 H new ATOM 0 HA VAL A 143 75.160 0.552 3.060 1.00 0.00 H new ATOM 0 HB VAL A 143 72.505 -0.859 2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 143 71.990 -0.563 4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 143 73.387 -1.642 4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 143 73.640 0.045 5.202 1.00 0.00 H new ATOM 0 HG21 VAL A 143 71.580 1.307 3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 143 73.234 1.911 3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 143 72.669 1.555 1.940 1.00 0.00 H new ATOM 736 N LEU A 144 76.271 -1.433 3.863 1.00 0.00 N ATOM 737 CA LEU A 144 77.005 -2.624 4.355 1.00 0.00 C ATOM 738 C LEU A 144 76.753 -2.776 5.855 1.00 0.00 C ATOM 739 O LEU A 144 77.179 -1.957 6.646 1.00 0.00 O ATOM 740 CB LEU A 144 78.468 -2.286 4.075 1.00 0.00 C ATOM 741 CG LEU A 144 78.900 -2.841 2.710 1.00 0.00 C ATOM 742 CD1 LEU A 144 79.251 -4.322 2.845 1.00 0.00 C ATOM 743 CD2 LEU A 144 77.766 -2.674 1.689 1.00 0.00 C ATOM 0 H LEU A 144 76.643 -0.539 4.184 1.00 0.00 H new ATOM 0 HA LEU A 144 76.704 -3.559 3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 144 78.607 -1.205 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 144 79.100 -2.703 4.859 1.00 0.00 H new ATOM 0 HG LEU A 144 79.774 -2.289 2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 144 79.557 -4.713 1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 144 80.068 -4.439 3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 144 78.379 -4.872 3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 144 78.083 -3.071 0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 144 76.885 -3.216 2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 144 77.524 -1.616 1.584 1.00 0.00 H new ATOM 755 N PHE A 145 76.044 -3.794 6.259 1.00 0.00 N ATOM 756 CA PHE A 145 75.757 -3.953 7.713 1.00 0.00 C ATOM 757 C PHE A 145 76.931 -4.607 8.435 1.00 0.00 C ATOM 758 O PHE A 145 77.691 -5.362 7.863 1.00 0.00 O ATOM 759 CB PHE A 145 74.518 -4.837 7.783 1.00 0.00 C ATOM 760 CG PHE A 145 73.288 -3.965 7.740 1.00 0.00 C ATOM 761 CD1 PHE A 145 72.991 -3.113 8.812 1.00 0.00 C ATOM 762 CD2 PHE A 145 72.449 -4.006 6.624 1.00 0.00 C ATOM 763 CE1 PHE A 145 71.849 -2.304 8.764 1.00 0.00 C ATOM 764 CE2 PHE A 145 71.309 -3.199 6.576 1.00 0.00 C ATOM 765 CZ PHE A 145 71.007 -2.347 7.646 1.00 0.00 C ATOM 0 H PHE A 145 75.654 -4.516 5.653 1.00 0.00 H new ATOM 0 HA PHE A 145 75.598 -2.991 8.200 1.00 0.00 H new ATOM 0 HB2 PHE A 145 74.510 -5.540 6.950 1.00 0.00 H new ATOM 0 HB3 PHE A 145 74.529 -5.428 8.699 1.00 0.00 H new ATOM 0 HD1 PHE A 145 73.641 -3.080 9.674 1.00 0.00 H new ATOM 0 HD2 PHE A 145 72.681 -4.662 5.798 1.00 0.00 H new ATOM 0 HE1 PHE A 145 71.618 -1.647 9.589 1.00 0.00 H new ATOM 0 HE2 PHE A 145 70.660 -3.232 5.713 1.00 0.00 H new ATOM 0 HZ PHE A 145 70.126 -1.724 7.609 1.00 0.00 H new ATOM 775 N LYS A 146 77.084 -4.306 9.692 1.00 0.00 N ATOM 776 CA LYS A 146 78.208 -4.888 10.475 1.00 0.00 C ATOM 777 C LYS A 146 77.874 -6.307 10.952 1.00 0.00 C ATOM 778 O LYS A 146 78.757 -7.102 11.202 1.00 0.00 O ATOM 779 CB LYS A 146 78.374 -3.949 11.670 1.00 0.00 C ATOM 780 CG LYS A 146 79.777 -4.107 12.258 1.00 0.00 C ATOM 781 CD LYS A 146 80.256 -2.762 12.809 1.00 0.00 C ATOM 782 CE LYS A 146 81.679 -2.912 13.354 1.00 0.00 C ATOM 783 NZ LYS A 146 82.190 -1.519 13.521 1.00 0.00 N ATOM 0 H LYS A 146 76.475 -3.677 10.215 1.00 0.00 H new ATOM 0 HA LYS A 146 79.117 -4.972 9.879 1.00 0.00 H new ATOM 0 HB2 LYS A 146 78.214 -2.917 11.359 1.00 0.00 H new ATOM 0 HB3 LYS A 146 77.624 -4.174 12.428 1.00 0.00 H new ATOM 0 HG2 LYS A 146 79.768 -4.854 13.051 1.00 0.00 H new ATOM 0 HG3 LYS A 146 80.465 -4.464 11.492 1.00 0.00 H new ATOM 0 HD2 LYS A 146 80.234 -2.006 12.024 1.00 0.00 H new ATOM 0 HD3 LYS A 146 79.587 -2.421 13.599 1.00 0.00 H new ATOM 0 HE2 LYS A 146 81.681 -3.448 14.303 1.00 0.00 H new ATOM 0 HE3 LYS A 146 82.305 -3.480 12.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 83.161 -1.548 13.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 82.185 -1.035 12.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 81.580 -1.003 14.187 1.00 0.00 H new ATOM 797 N GLU A 147 76.616 -6.638 11.097 1.00 0.00 N ATOM 798 CA GLU A 147 76.276 -8.011 11.575 1.00 0.00 C ATOM 799 C GLU A 147 74.999 -8.530 10.908 1.00 0.00 C ATOM 800 O GLU A 147 74.083 -7.786 10.624 1.00 0.00 O ATOM 801 CB GLU A 147 76.064 -7.859 13.081 1.00 0.00 C ATOM 802 CG GLU A 147 75.209 -6.621 13.361 1.00 0.00 C ATOM 803 CD GLU A 147 74.322 -6.881 14.581 1.00 0.00 C ATOM 804 OE1 GLU A 147 74.840 -7.373 15.570 1.00 0.00 O ATOM 805 OE2 GLU A 147 73.142 -6.583 14.505 1.00 0.00 O ATOM 0 H GLU A 147 75.821 -6.027 10.908 1.00 0.00 H new ATOM 0 HA GLU A 147 77.061 -8.728 11.333 1.00 0.00 H new ATOM 0 HB2 GLU A 147 75.575 -8.748 13.480 1.00 0.00 H new ATOM 0 HB3 GLU A 147 77.026 -7.770 13.586 1.00 0.00 H new ATOM 0 HG2 GLU A 147 75.849 -5.757 13.540 1.00 0.00 H new ATOM 0 HG3 GLU A 147 74.593 -6.387 12.493 1.00 0.00 H new ATOM 812 N SER A 148 74.928 -9.812 10.667 1.00 0.00 N ATOM 813 CA SER A 148 73.706 -10.380 10.033 1.00 0.00 C ATOM 814 C SER A 148 72.466 -9.877 10.771 1.00 0.00 C ATOM 815 O SER A 148 71.431 -9.637 10.181 1.00 0.00 O ATOM 816 CB SER A 148 73.847 -11.894 10.187 1.00 0.00 C ATOM 817 OG SER A 148 72.867 -12.540 9.385 1.00 0.00 O ATOM 0 H SER A 148 75.662 -10.487 10.881 1.00 0.00 H new ATOM 0 HA SER A 148 73.601 -10.090 8.988 1.00 0.00 H new ATOM 0 HB2 SER A 148 74.846 -12.210 9.887 1.00 0.00 H new ATOM 0 HB3 SER A 148 73.723 -12.178 11.232 1.00 0.00 H new ATOM 0 HG SER A 148 72.955 -13.511 9.480 1.00 0.00 H new ATOM 823 N GLU A 149 72.566 -9.711 12.062 1.00 0.00 N ATOM 824 CA GLU A 149 71.400 -9.218 12.844 1.00 0.00 C ATOM 825 C GLU A 149 70.910 -7.888 12.269 1.00 0.00 C ATOM 826 O GLU A 149 69.744 -7.716 11.981 1.00 0.00 O ATOM 827 CB GLU A 149 71.932 -9.028 14.265 1.00 0.00 C ATOM 828 CG GLU A 149 71.354 -10.109 15.179 1.00 0.00 C ATOM 829 CD GLU A 149 72.261 -11.341 15.151 1.00 0.00 C ATOM 830 OE1 GLU A 149 73.267 -11.296 14.460 1.00 0.00 O ATOM 831 OE2 GLU A 149 71.935 -12.307 15.820 1.00 0.00 O ATOM 0 H GLU A 149 73.407 -9.896 12.608 1.00 0.00 H new ATOM 0 HA GLU A 149 70.556 -9.907 12.815 1.00 0.00 H new ATOM 0 HB2 GLU A 149 73.021 -9.081 14.266 1.00 0.00 H new ATOM 0 HB3 GLU A 149 71.660 -8.040 14.637 1.00 0.00 H new ATOM 0 HG2 GLU A 149 71.268 -9.731 16.198 1.00 0.00 H new ATOM 0 HG3 GLU A 149 70.349 -10.377 14.853 1.00 0.00 H new ATOM 838 N SER A 150 71.796 -6.946 12.099 1.00 0.00 N ATOM 839 CA SER A 150 71.381 -5.628 11.543 1.00 0.00 C ATOM 840 C SER A 150 70.708 -5.814 10.178 1.00 0.00 C ATOM 841 O SER A 150 69.767 -5.122 9.840 1.00 0.00 O ATOM 842 CB SER A 150 72.676 -4.823 11.407 1.00 0.00 C ATOM 843 OG SER A 150 73.597 -5.529 10.583 1.00 0.00 O ATOM 0 H SER A 150 72.788 -7.032 12.321 1.00 0.00 H new ATOM 0 HA SER A 150 70.658 -5.121 12.182 1.00 0.00 H new ATOM 0 HB2 SER A 150 72.464 -3.845 10.976 1.00 0.00 H new ATOM 0 HB3 SER A 150 73.112 -4.650 12.391 1.00 0.00 H new ATOM 0 HG SER A 150 73.368 -6.482 10.578 1.00 0.00 H new ATOM 849 N VAL A 151 71.180 -6.743 9.389 1.00 0.00 N ATOM 850 CA VAL A 151 70.559 -6.960 8.049 1.00 0.00 C ATOM 851 C VAL A 151 69.186 -7.620 8.198 1.00 0.00 C ATOM 852 O VAL A 151 68.196 -7.135 7.686 1.00 0.00 O ATOM 853 CB VAL A 151 71.519 -7.885 7.295 1.00 0.00 C ATOM 854 CG1 VAL A 151 71.219 -7.811 5.795 1.00 0.00 C ATOM 855 CG2 VAL A 151 72.965 -7.445 7.543 1.00 0.00 C ATOM 0 H VAL A 151 71.963 -7.357 9.612 1.00 0.00 H new ATOM 0 HA VAL A 151 70.405 -6.021 7.518 1.00 0.00 H new ATOM 0 HB VAL A 151 71.387 -8.907 7.649 1.00 0.00 H new ATOM 0 HG11 VAL A 151 71.900 -8.468 5.255 1.00 0.00 H new ATOM 0 HG12 VAL A 151 70.191 -8.126 5.614 1.00 0.00 H new ATOM 0 HG13 VAL A 151 71.351 -6.786 5.448 1.00 0.00 H new ATOM 0 HG21 VAL A 151 73.644 -8.106 7.005 1.00 0.00 H new ATOM 0 HG22 VAL A 151 73.099 -6.422 7.191 1.00 0.00 H new ATOM 0 HG23 VAL A 151 73.182 -7.493 8.610 1.00 0.00 H new ATOM 865 N ASP A 152 69.114 -8.725 8.890 1.00 0.00 N ATOM 866 CA ASP A 152 67.799 -9.410 9.059 1.00 0.00 C ATOM 867 C ASP A 152 66.727 -8.395 9.476 1.00 0.00 C ATOM 868 O ASP A 152 65.579 -8.492 9.088 1.00 0.00 O ATOM 869 CB ASP A 152 68.034 -10.468 10.152 1.00 0.00 C ATOM 870 CG ASP A 152 67.684 -9.904 11.536 1.00 0.00 C ATOM 871 OD1 ASP A 152 66.516 -9.637 11.767 1.00 0.00 O ATOM 872 OD2 ASP A 152 68.589 -9.754 12.340 1.00 0.00 O ATOM 0 H ASP A 152 69.905 -9.182 9.344 1.00 0.00 H new ATOM 0 HA ASP A 152 67.443 -9.870 8.137 1.00 0.00 H new ATOM 0 HB2 ASP A 152 67.426 -11.350 9.949 1.00 0.00 H new ATOM 0 HB3 ASP A 152 69.076 -10.789 10.137 1.00 0.00 H new ATOM 877 N LYS A 153 67.095 -7.424 10.267 1.00 0.00 N ATOM 878 CA LYS A 153 66.101 -6.408 10.713 1.00 0.00 C ATOM 879 C LYS A 153 65.679 -5.523 9.537 1.00 0.00 C ATOM 880 O LYS A 153 64.508 -5.352 9.271 1.00 0.00 O ATOM 881 CB LYS A 153 66.823 -5.583 11.777 1.00 0.00 C ATOM 882 CG LYS A 153 65.902 -5.392 12.984 1.00 0.00 C ATOM 883 CD LYS A 153 65.475 -3.925 13.078 1.00 0.00 C ATOM 884 CE LYS A 153 64.702 -3.703 14.380 1.00 0.00 C ATOM 885 NZ LYS A 153 63.337 -3.291 13.954 1.00 0.00 N ATOM 0 H LYS A 153 68.041 -7.291 10.623 1.00 0.00 H new ATOM 0 HA LYS A 153 65.192 -6.866 11.103 1.00 0.00 H new ATOM 0 HB2 LYS A 153 67.741 -6.086 12.082 1.00 0.00 H new ATOM 0 HB3 LYS A 153 67.111 -4.614 11.368 1.00 0.00 H new ATOM 0 HG2 LYS A 153 65.024 -6.031 12.889 1.00 0.00 H new ATOM 0 HG3 LYS A 153 66.416 -5.691 13.897 1.00 0.00 H new ATOM 0 HD2 LYS A 153 66.351 -3.277 13.047 1.00 0.00 H new ATOM 0 HD3 LYS A 153 64.853 -3.660 12.223 1.00 0.00 H new ATOM 0 HE2 LYS A 153 64.670 -4.613 14.980 1.00 0.00 H new ATOM 0 HE3 LYS A 153 65.173 -2.934 14.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 62.748 -3.121 14.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 63.398 -2.419 13.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 62.910 -4.045 13.379 1.00 0.00 H new ATOM 899 N VAL A 154 66.618 -4.957 8.830 1.00 0.00 N ATOM 900 CA VAL A 154 66.244 -4.088 7.678 1.00 0.00 C ATOM 901 C VAL A 154 65.555 -4.920 6.590 1.00 0.00 C ATOM 902 O VAL A 154 64.940 -4.391 5.685 1.00 0.00 O ATOM 903 CB VAL A 154 67.567 -3.499 7.174 1.00 0.00 C ATOM 904 CG1 VAL A 154 68.266 -4.494 6.243 1.00 0.00 C ATOM 905 CG2 VAL A 154 67.287 -2.203 6.410 1.00 0.00 C ATOM 0 H VAL A 154 67.619 -5.057 8.997 1.00 0.00 H new ATOM 0 HA VAL A 154 65.541 -3.304 7.959 1.00 0.00 H new ATOM 0 HB VAL A 154 68.213 -3.294 8.028 1.00 0.00 H new ATOM 0 HG11 VAL A 154 69.204 -4.065 5.891 1.00 0.00 H new ATOM 0 HG12 VAL A 154 68.470 -5.418 6.785 1.00 0.00 H new ATOM 0 HG13 VAL A 154 67.622 -4.708 5.390 1.00 0.00 H new ATOM 0 HG21 VAL A 154 68.226 -1.782 6.051 1.00 0.00 H new ATOM 0 HG22 VAL A 154 66.636 -2.414 5.562 1.00 0.00 H new ATOM 0 HG23 VAL A 154 66.799 -1.488 7.073 1.00 0.00 H new ATOM 915 N MET A 155 65.656 -6.217 6.674 1.00 0.00 N ATOM 916 CA MET A 155 65.008 -7.082 5.645 1.00 0.00 C ATOM 917 C MET A 155 63.580 -7.447 6.068 1.00 0.00 C ATOM 918 O MET A 155 62.687 -7.532 5.248 1.00 0.00 O ATOM 919 CB MET A 155 65.886 -8.331 5.572 1.00 0.00 C ATOM 920 CG MET A 155 65.753 -8.967 4.186 1.00 0.00 C ATOM 921 SD MET A 155 66.371 -7.819 2.931 1.00 0.00 S ATOM 922 CE MET A 155 68.135 -8.130 3.187 1.00 0.00 C ATOM 0 H MET A 155 66.158 -6.716 7.408 1.00 0.00 H new ATOM 0 HA MET A 155 64.927 -6.582 4.680 1.00 0.00 H new ATOM 0 HB2 MET A 155 66.926 -8.069 5.766 1.00 0.00 H new ATOM 0 HB3 MET A 155 65.588 -9.044 6.341 1.00 0.00 H new ATOM 0 HG2 MET A 155 66.314 -9.901 4.148 1.00 0.00 H new ATOM 0 HG3 MET A 155 64.710 -9.214 3.986 1.00 0.00 H new ATOM 0 HE1 MET A 155 68.642 -7.191 3.408 1.00 0.00 H new ATOM 0 HE2 MET A 155 68.266 -8.818 4.022 1.00 0.00 H new ATOM 0 HE3 MET A 155 68.562 -8.569 2.285 1.00 0.00 H new ATOM 932 N ASP A 156 63.355 -7.665 7.337 1.00 0.00 N ATOM 933 CA ASP A 156 61.981 -8.025 7.796 1.00 0.00 C ATOM 934 C ASP A 156 60.987 -6.932 7.391 1.00 0.00 C ATOM 935 O ASP A 156 59.790 -7.143 7.362 1.00 0.00 O ATOM 936 CB ASP A 156 62.084 -8.156 9.323 1.00 0.00 C ATOM 937 CG ASP A 156 61.925 -6.787 9.995 1.00 0.00 C ATOM 938 OD1 ASP A 156 62.241 -5.795 9.361 1.00 0.00 O ATOM 939 OD2 ASP A 156 61.489 -6.757 11.133 1.00 0.00 O ATOM 0 H ASP A 156 64.060 -7.610 8.072 1.00 0.00 H new ATOM 0 HA ASP A 156 61.621 -8.950 7.347 1.00 0.00 H new ATOM 0 HB2 ASP A 156 61.315 -8.837 9.687 1.00 0.00 H new ATOM 0 HB3 ASP A 156 63.047 -8.589 9.592 1.00 0.00 H new ATOM 944 N GLN A 157 61.478 -5.769 7.068 1.00 0.00 N ATOM 945 CA GLN A 157 60.571 -4.662 6.653 1.00 0.00 C ATOM 946 C GLN A 157 61.197 -3.903 5.483 1.00 0.00 C ATOM 947 O GLN A 157 61.740 -2.829 5.645 1.00 0.00 O ATOM 948 CB GLN A 157 60.452 -3.759 7.883 1.00 0.00 C ATOM 949 CG GLN A 157 59.544 -2.570 7.555 1.00 0.00 C ATOM 950 CD GLN A 157 58.094 -3.046 7.453 1.00 0.00 C ATOM 951 OE1 GLN A 157 57.475 -2.925 6.415 1.00 0.00 O ATOM 952 NE2 GLN A 157 57.522 -3.583 8.495 1.00 0.00 N ATOM 0 H GLN A 157 62.471 -5.536 7.073 1.00 0.00 H new ATOM 0 HA GLN A 157 59.595 -5.019 6.324 1.00 0.00 H new ATOM 0 HB2 GLN A 157 60.044 -4.322 8.723 1.00 0.00 H new ATOM 0 HB3 GLN A 157 61.438 -3.405 8.185 1.00 0.00 H new ATOM 0 HG2 GLN A 157 59.633 -1.807 8.328 1.00 0.00 H new ATOM 0 HG3 GLN A 157 59.854 -2.111 6.616 1.00 0.00 H new ATOM 0 HE21 GLN A 157 58.042 -3.685 9.367 1.00 0.00 H new ATOM 0 HE22 GLN A 157 56.555 -3.901 8.438 1.00 0.00 H new ATOM 961 N LYS A 158 61.136 -4.460 4.304 1.00 0.00 N ATOM 962 CA LYS A 158 61.740 -3.774 3.127 1.00 0.00 C ATOM 963 C LYS A 158 60.793 -2.720 2.576 1.00 0.00 C ATOM 964 O LYS A 158 61.034 -2.136 1.539 1.00 0.00 O ATOM 965 CB LYS A 158 61.991 -4.879 2.102 1.00 0.00 C ATOM 966 CG LYS A 158 60.652 -5.390 1.567 1.00 0.00 C ATOM 967 CD LYS A 158 60.871 -6.703 0.815 1.00 0.00 C ATOM 968 CE LYS A 158 60.603 -6.488 -0.676 1.00 0.00 C ATOM 969 NZ LYS A 158 61.858 -6.913 -1.357 1.00 0.00 N ATOM 0 H LYS A 158 60.695 -5.358 4.105 1.00 0.00 H new ATOM 0 HA LYS A 158 62.661 -3.252 3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 158 62.601 -4.498 1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 158 62.547 -5.696 2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 158 59.954 -5.542 2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 158 60.206 -4.649 0.904 1.00 0.00 H new ATOM 0 HD2 LYS A 158 61.892 -7.054 0.965 1.00 0.00 H new ATOM 0 HD3 LYS A 158 60.208 -7.474 1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 158 59.751 -7.079 -1.013 1.00 0.00 H new ATOM 0 HE3 LYS A 158 60.372 -5.444 -0.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 61.752 -6.795 -2.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 62.650 -6.329 -1.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 62.049 -7.912 -1.141 1.00 0.00 H new ATOM 983 N GLU A 159 59.750 -2.428 3.286 1.00 0.00 N ATOM 984 CA GLU A 159 58.835 -1.364 2.823 1.00 0.00 C ATOM 985 C GLU A 159 59.374 -0.062 3.384 1.00 0.00 C ATOM 986 O GLU A 159 58.804 0.545 4.269 1.00 0.00 O ATOM 987 CB GLU A 159 57.489 -1.685 3.435 1.00 0.00 C ATOM 988 CG GLU A 159 56.740 -2.684 2.551 1.00 0.00 C ATOM 989 CD GLU A 159 56.021 -1.936 1.427 1.00 0.00 C ATOM 990 OE1 GLU A 159 54.999 -1.329 1.705 1.00 0.00 O ATOM 991 OE2 GLU A 159 56.503 -1.984 0.308 1.00 0.00 O ATOM 0 H GLU A 159 59.492 -2.878 4.164 1.00 0.00 H new ATOM 0 HA GLU A 159 58.750 -1.290 1.739 1.00 0.00 H new ATOM 0 HB2 GLU A 159 57.624 -2.100 4.434 1.00 0.00 H new ATOM 0 HB3 GLU A 159 56.903 -0.773 3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 159 57.438 -3.408 2.131 1.00 0.00 H new ATOM 0 HG3 GLU A 159 56.020 -3.244 3.147 1.00 0.00 H new ATOM 998 N HIS A 160 60.504 0.335 2.898 1.00 0.00 N ATOM 999 CA HIS A 160 61.151 1.567 3.417 1.00 0.00 C ATOM 1000 C HIS A 160 60.629 2.805 2.689 1.00 0.00 C ATOM 1001 O HIS A 160 59.881 2.713 1.736 1.00 0.00 O ATOM 1002 CB HIS A 160 62.637 1.411 3.107 1.00 0.00 C ATOM 1003 CG HIS A 160 63.221 0.286 3.902 1.00 0.00 C ATOM 1004 ND1 HIS A 160 63.916 0.499 5.097 1.00 0.00 N ATOM 1005 CD2 HIS A 160 63.251 -1.067 3.681 1.00 0.00 C ATOM 1006 CE1 HIS A 160 64.334 -0.704 5.540 1.00 0.00 C ATOM 1007 NE2 HIS A 160 63.948 -1.660 4.713 1.00 0.00 N ATOM 0 H HIS A 160 61.016 -0.142 2.156 1.00 0.00 H new ATOM 0 HA HIS A 160 60.948 1.693 4.481 1.00 0.00 H new ATOM 0 HB2 HIS A 160 62.775 1.222 2.042 1.00 0.00 H new ATOM 0 HB3 HIS A 160 63.162 2.338 3.337 1.00 0.00 H new ATOM 0 HD2 HIS A 160 62.805 -1.581 2.842 1.00 0.00 H new ATOM 0 HE1 HIS A 160 64.904 -0.864 6.443 1.00 0.00 H new ATOM 0 HE2 HIS A 160 64.132 -2.658 4.819 1.00 0.00 H new ATOM 1015 N LYS A 161 61.040 3.964 3.124 1.00 0.00 N ATOM 1016 CA LYS A 161 60.599 5.225 2.462 1.00 0.00 C ATOM 1017 C LYS A 161 61.436 6.391 2.991 1.00 0.00 C ATOM 1018 O LYS A 161 60.975 7.195 3.776 1.00 0.00 O ATOM 1019 CB LYS A 161 59.128 5.395 2.848 1.00 0.00 C ATOM 1020 CG LYS A 161 58.241 4.752 1.780 1.00 0.00 C ATOM 1021 CD LYS A 161 57.541 3.525 2.370 1.00 0.00 C ATOM 1022 CE LYS A 161 56.312 3.966 3.165 1.00 0.00 C ATOM 1023 NZ LYS A 161 55.826 2.727 3.831 1.00 0.00 N ATOM 0 H LYS A 161 61.668 4.093 3.917 1.00 0.00 H new ATOM 0 HA LYS A 161 60.722 5.196 1.379 1.00 0.00 H new ATOM 0 HB2 LYS A 161 58.940 4.934 3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 161 58.887 6.453 2.947 1.00 0.00 H new ATOM 0 HG2 LYS A 161 57.502 5.470 1.425 1.00 0.00 H new ATOM 0 HG3 LYS A 161 58.843 4.462 0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 161 57.245 2.844 1.572 1.00 0.00 H new ATOM 0 HD3 LYS A 161 58.228 2.978 3.017 1.00 0.00 H new ATOM 0 HE2 LYS A 161 56.568 4.734 3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 161 55.549 4.389 2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 54.982 2.946 4.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 55.585 2.017 3.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 56.571 2.351 4.451 1.00 0.00 H new ATOM 1037 N LEU A 162 62.669 6.481 2.571 1.00 0.00 N ATOM 1038 CA LEU A 162 63.547 7.583 3.053 1.00 0.00 C ATOM 1039 C LEU A 162 63.817 8.575 1.922 1.00 0.00 C ATOM 1040 O LEU A 162 63.727 8.241 0.756 1.00 0.00 O ATOM 1041 CB LEU A 162 64.838 6.889 3.497 1.00 0.00 C ATOM 1042 CG LEU A 162 65.515 6.223 2.297 1.00 0.00 C ATOM 1043 CD1 LEU A 162 67.036 6.297 2.462 1.00 0.00 C ATOM 1044 CD2 LEU A 162 65.087 4.754 2.221 1.00 0.00 C ATOM 0 H LEU A 162 63.106 5.836 1.913 1.00 0.00 H new ATOM 0 HA LEU A 162 63.096 8.154 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 162 65.514 7.615 3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 162 64.615 6.143 4.260 1.00 0.00 H new ATOM 0 HG LEU A 162 65.221 6.739 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 162 67.518 5.823 1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 162 67.345 7.341 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 162 67.328 5.781 3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 162 65.569 4.278 1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 162 65.383 4.241 3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 162 64.005 4.696 2.106 1.00 0.00 H new ATOM 1056 N ASN A 163 64.135 9.796 2.254 1.00 0.00 N ATOM 1057 CA ASN A 163 64.395 10.810 1.195 1.00 0.00 C ATOM 1058 C ASN A 163 63.100 11.099 0.430 1.00 0.00 C ATOM 1059 O ASN A 163 63.100 11.770 -0.582 1.00 0.00 O ATOM 1060 CB ASN A 163 65.435 10.170 0.274 1.00 0.00 C ATOM 1061 CG ASN A 163 66.284 11.262 -0.380 1.00 0.00 C ATOM 1062 OD1 ASN A 163 67.461 11.379 -0.104 1.00 0.00 O ATOM 1063 ND2 ASN A 163 65.732 12.074 -1.241 1.00 0.00 N ATOM 0 H ASN A 163 64.226 10.135 3.212 1.00 0.00 H new ATOM 0 HA ASN A 163 64.749 11.758 1.601 1.00 0.00 H new ATOM 0 HB2 ASN A 163 66.072 9.493 0.843 1.00 0.00 H new ATOM 0 HB3 ASN A 163 64.939 9.573 -0.492 1.00 0.00 H new ATOM 0 HD21 ASN A 163 66.289 12.806 -1.681 1.00 0.00 H new ATOM 0 HD22 ASN A 163 64.744 11.976 -1.473 1.00 0.00 H new ATOM 1070 N GLY A 164 61.995 10.594 0.913 1.00 0.00 N ATOM 1071 CA GLY A 164 60.698 10.835 0.221 1.00 0.00 C ATOM 1072 C GLY A 164 60.459 9.741 -0.823 1.00 0.00 C ATOM 1073 O GLY A 164 59.620 9.877 -1.690 1.00 0.00 O ATOM 0 H GLY A 164 61.936 10.025 1.757 1.00 0.00 H new ATOM 0 HA2 GLY A 164 59.884 10.843 0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 164 60.707 11.814 -0.259 1.00 0.00 H new ATOM 1077 N LYS A 165 61.187 8.657 -0.753 1.00 0.00 N ATOM 1078 CA LYS A 165 60.985 7.568 -1.752 1.00 0.00 C ATOM 1079 C LYS A 165 61.334 6.206 -1.145 1.00 0.00 C ATOM 1080 O LYS A 165 61.996 6.117 -0.129 1.00 0.00 O ATOM 1081 CB LYS A 165 61.935 7.903 -2.903 1.00 0.00 C ATOM 1082 CG LYS A 165 61.437 7.240 -4.189 1.00 0.00 C ATOM 1083 CD LYS A 165 60.995 8.319 -5.182 1.00 0.00 C ATOM 1084 CE LYS A 165 60.277 7.665 -6.366 1.00 0.00 C ATOM 1085 NZ LYS A 165 61.316 6.841 -7.051 1.00 0.00 N ATOM 0 H LYS A 165 61.907 8.480 -0.053 1.00 0.00 H new ATOM 0 HA LYS A 165 59.948 7.505 -2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 165 61.993 8.983 -3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 165 62.942 7.557 -2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 165 62.228 6.630 -4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 165 60.605 6.572 -3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 165 60.332 9.031 -4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 165 61.861 8.880 -5.534 1.00 0.00 H new ATOM 0 HE2 LYS A 165 59.445 7.047 -6.029 1.00 0.00 H new ATOM 0 HE3 LYS A 165 59.864 8.416 -7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 61.007 6.628 -8.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 62.212 7.367 -7.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 61.454 5.952 -6.529 1.00 0.00 H new ATOM 1099 N VAL A 166 60.902 5.142 -1.769 1.00 0.00 N ATOM 1100 CA VAL A 166 61.217 3.784 -1.239 1.00 0.00 C ATOM 1101 C VAL A 166 62.594 3.343 -1.746 1.00 0.00 C ATOM 1102 O VAL A 166 63.243 4.051 -2.490 1.00 0.00 O ATOM 1103 CB VAL A 166 60.118 2.869 -1.788 1.00 0.00 C ATOM 1104 CG1 VAL A 166 60.066 1.583 -0.962 1.00 0.00 C ATOM 1105 CG2 VAL A 166 58.763 3.578 -1.704 1.00 0.00 C ATOM 0 H VAL A 166 60.344 5.155 -2.623 1.00 0.00 H new ATOM 0 HA VAL A 166 61.248 3.758 -0.150 1.00 0.00 H new ATOM 0 HB VAL A 166 60.338 2.630 -2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 166 59.284 0.931 -1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 166 61.027 1.073 -1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 166 59.849 1.827 0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 166 57.985 2.923 -2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 166 58.543 3.821 -0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 166 58.795 4.495 -2.292 1.00 0.00 H new ATOM 1115 N ILE A 167 63.051 2.186 -1.352 1.00 0.00 N ATOM 1116 CA ILE A 167 64.394 1.723 -1.819 1.00 0.00 C ATOM 1117 C ILE A 167 64.343 0.268 -2.278 1.00 0.00 C ATOM 1118 O ILE A 167 63.387 -0.443 -2.042 1.00 0.00 O ATOM 1119 CB ILE A 167 65.339 1.837 -0.612 1.00 0.00 C ATOM 1120 CG1 ILE A 167 64.545 1.748 0.694 1.00 0.00 C ATOM 1121 CG2 ILE A 167 66.089 3.163 -0.672 1.00 0.00 C ATOM 1122 CD1 ILE A 167 65.486 1.415 1.855 1.00 0.00 C ATOM 0 H ILE A 167 62.559 1.543 -0.731 1.00 0.00 H new ATOM 0 HA ILE A 167 64.729 2.326 -2.663 1.00 0.00 H new ATOM 0 HB ILE A 167 66.054 1.015 -0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 167 64.037 2.693 0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 167 63.773 0.983 0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 167 66.758 3.242 0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 167 66.671 3.211 -1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 167 65.375 3.986 -0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 167 64.914 1.353 2.781 1.00 0.00 H new ATOM 0 HD12 ILE A 167 65.974 0.459 1.665 1.00 0.00 H new ATOM 0 HD13 ILE A 167 66.241 2.196 1.947 1.00 0.00 H new ATOM 1134 N ASP A 168 65.390 -0.181 -2.910 1.00 0.00 N ATOM 1135 CA ASP A 168 65.447 -1.593 -3.367 1.00 0.00 C ATOM 1136 C ASP A 168 66.518 -2.325 -2.561 1.00 0.00 C ATOM 1137 O ASP A 168 67.668 -2.373 -2.954 1.00 0.00 O ATOM 1138 CB ASP A 168 65.835 -1.524 -4.845 1.00 0.00 C ATOM 1139 CG ASP A 168 65.816 -2.933 -5.442 1.00 0.00 C ATOM 1140 OD1 ASP A 168 66.663 -3.726 -5.064 1.00 0.00 O ATOM 1141 OD2 ASP A 168 64.955 -3.194 -6.265 1.00 0.00 O ATOM 0 H ASP A 168 66.215 0.376 -3.131 1.00 0.00 H new ATOM 0 HA ASP A 168 64.505 -2.124 -3.233 1.00 0.00 H new ATOM 0 HB2 ASP A 168 65.141 -0.879 -5.385 1.00 0.00 H new ATOM 0 HB3 ASP A 168 66.827 -1.085 -4.952 1.00 0.00 H new ATOM 1146 N PRO A 169 66.101 -2.853 -1.442 1.00 0.00 N ATOM 1147 CA PRO A 169 67.030 -3.577 -0.546 1.00 0.00 C ATOM 1148 C PRO A 169 67.323 -4.976 -1.091 1.00 0.00 C ATOM 1149 O PRO A 169 66.434 -5.789 -1.250 1.00 0.00 O ATOM 1150 CB PRO A 169 66.262 -3.661 0.771 1.00 0.00 C ATOM 1151 CG PRO A 169 64.816 -3.570 0.392 1.00 0.00 C ATOM 1152 CD PRO A 169 64.732 -2.818 -0.914 1.00 0.00 C ATOM 0 HA PRO A 169 67.996 -3.083 -0.444 1.00 0.00 H new ATOM 0 HB2 PRO A 169 66.474 -4.595 1.291 1.00 0.00 H new ATOM 0 HB3 PRO A 169 66.544 -2.851 1.443 1.00 0.00 H new ATOM 0 HG2 PRO A 169 64.384 -4.565 0.289 1.00 0.00 H new ATOM 0 HG3 PRO A 169 64.249 -3.055 1.167 1.00 0.00 H new ATOM 0 HD2 PRO A 169 64.029 -3.290 -1.600 1.00 0.00 H new ATOM 0 HD3 PRO A 169 64.390 -1.794 -0.762 1.00 0.00 H new ATOM 1160 N LYS A 170 68.562 -5.266 -1.375 1.00 0.00 N ATOM 1161 CA LYS A 170 68.905 -6.616 -1.905 1.00 0.00 C ATOM 1162 C LYS A 170 70.145 -7.162 -1.213 1.00 0.00 C ATOM 1163 O LYS A 170 70.783 -6.486 -0.429 1.00 0.00 O ATOM 1164 CB LYS A 170 69.217 -6.413 -3.379 1.00 0.00 C ATOM 1165 CG LYS A 170 67.968 -6.694 -4.217 1.00 0.00 C ATOM 1166 CD LYS A 170 68.349 -7.540 -5.434 1.00 0.00 C ATOM 1167 CE LYS A 170 67.214 -8.515 -5.756 1.00 0.00 C ATOM 1168 NZ LYS A 170 66.074 -7.656 -6.177 1.00 0.00 N ATOM 0 H LYS A 170 69.351 -4.629 -1.264 1.00 0.00 H new ATOM 0 HA LYS A 170 68.089 -7.319 -1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 170 69.559 -5.392 -3.550 1.00 0.00 H new ATOM 0 HB3 LYS A 170 70.027 -7.076 -3.683 1.00 0.00 H new ATOM 0 HG2 LYS A 170 67.224 -7.217 -3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 170 67.515 -5.756 -4.540 1.00 0.00 H new ATOM 0 HD2 LYS A 170 68.543 -6.896 -6.291 1.00 0.00 H new ATOM 0 HD3 LYS A 170 69.269 -8.090 -5.234 1.00 0.00 H new ATOM 0 HE2 LYS A 170 67.501 -9.206 -6.549 1.00 0.00 H new ATOM 0 HE3 LYS A 170 66.953 -9.118 -4.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 65.379 -8.231 -6.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 65.623 -7.241 -5.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 66.422 -6.895 -6.794 1.00 0.00 H new ATOM 1182 N ARG A 171 70.504 -8.378 -1.512 1.00 0.00 N ATOM 1183 CA ARG A 171 71.715 -8.958 -0.884 1.00 0.00 C ATOM 1184 C ARG A 171 72.943 -8.702 -1.763 1.00 0.00 C ATOM 1185 O ARG A 171 73.676 -9.608 -2.105 1.00 0.00 O ATOM 1186 CB ARG A 171 71.429 -10.457 -0.759 1.00 0.00 C ATOM 1187 CG ARG A 171 71.219 -11.057 -2.150 1.00 0.00 C ATOM 1188 CD ARG A 171 71.229 -12.585 -2.054 1.00 0.00 C ATOM 1189 NE ARG A 171 70.362 -12.904 -0.886 1.00 0.00 N ATOM 1190 CZ ARG A 171 70.474 -14.056 -0.286 1.00 0.00 C ATOM 1191 NH1 ARG A 171 69.848 -15.103 -0.754 1.00 0.00 N ATOM 1192 NH2 ARG A 171 71.214 -14.164 0.784 1.00 0.00 N ATOM 0 H ARG A 171 70.012 -8.991 -2.162 1.00 0.00 H new ATOM 0 HA ARG A 171 71.929 -8.512 0.087 1.00 0.00 H new ATOM 0 HB2 ARG A 171 72.259 -10.955 -0.258 1.00 0.00 H new ATOM 0 HB3 ARG A 171 70.543 -10.619 -0.145 1.00 0.00 H new ATOM 0 HG2 ARG A 171 70.272 -10.714 -2.566 1.00 0.00 H new ATOM 0 HG3 ARG A 171 72.005 -10.719 -2.826 1.00 0.00 H new ATOM 0 HD2 ARG A 171 70.845 -13.040 -2.967 1.00 0.00 H new ATOM 0 HD3 ARG A 171 72.241 -12.965 -1.910 1.00 0.00 H new ATOM 0 HE ARG A 171 69.680 -12.221 -0.555 1.00 0.00 H new ATOM 0 HH11 ARG A 171 69.270 -15.020 -1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 171 69.937 -16.003 -0.283 1.00 0.00 H new ATOM 0 HH21 ARG A 171 71.704 -13.348 1.150 1.00 0.00 H new ATOM 0 HH22 ARG A 171 71.302 -15.065 1.254 1.00 0.00 H new ATOM 1206 N ALA A 172 73.171 -7.471 -2.130 1.00 0.00 N ATOM 1207 CA ALA A 172 74.350 -7.147 -2.988 1.00 0.00 C ATOM 1208 C ALA A 172 74.238 -7.859 -4.339 1.00 0.00 C ATOM 1209 O ALA A 172 73.618 -8.896 -4.456 1.00 0.00 O ATOM 1210 CB ALA A 172 75.561 -7.662 -2.211 1.00 0.00 C ATOM 0 H ALA A 172 72.591 -6.672 -1.873 1.00 0.00 H new ATOM 0 HA ALA A 172 74.423 -6.080 -3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 172 76.470 -7.460 -2.778 1.00 0.00 H new ATOM 0 HB2 ALA A 172 75.616 -7.157 -1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 172 75.462 -8.736 -2.054 1.00 0.00 H new TER 1216 ALA A 172