USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=15 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 15:sc= -0.411 USER MOD Set 1.2: A 160 HIS : no HD1:sc= -14! C(o=-14!,f=-18!) USER MOD Set 2.1: A 105 SER OG : rot 180:sc= 0.983 USER MOD Set 2.2: A 108 THR OG1 : rot -23:sc= 0.857 USER MOD Set 2.3: A 163 ASN : amide:sc= -2.47! C(o=-0.63!,f=-2.2!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -131:sc= -5.7! (180deg=-12.5!) USER MOD Single : A 109 THR OG1 : rot 180:sc= -1.53! USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.344) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 CYS SG : rot -133:sc= -0.282 USER MOD Single : A 127 THR OG1 : rot 37:sc= 0.215 USER MOD Single : A 129 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.178) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 137 SER OG : rot -142:sc= 1.21 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 8:sc= -1.63! USER MOD Single : A 153 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0787) USER MOD Single : A 155 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 98 77.125 -6.536 2.981 1.00 0.00 N ATOM 2 CA LYS A 98 76.880 -5.471 1.967 1.00 0.00 C ATOM 3 C LYS A 98 75.544 -5.712 1.257 1.00 0.00 C ATOM 4 O LYS A 98 75.200 -6.830 0.927 1.00 0.00 O ATOM 5 CB LYS A 98 78.039 -5.587 0.970 1.00 0.00 C ATOM 6 CG LYS A 98 79.349 -5.870 1.713 1.00 0.00 C ATOM 7 CD LYS A 98 80.451 -6.176 0.700 1.00 0.00 C ATOM 8 CE LYS A 98 81.272 -7.374 1.185 1.00 0.00 C ATOM 9 NZ LYS A 98 82.553 -7.304 0.426 1.00 0.00 N ATOM 0 HA LYS A 98 76.830 -4.481 2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 98 77.837 -6.386 0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 98 78.129 -4.664 0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 98 79.628 -5.010 2.322 1.00 0.00 H new ATOM 0 HG3 LYS A 98 79.220 -6.713 2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 98 80.014 -6.392 -0.275 1.00 0.00 H new ATOM 0 HD3 LYS A 98 81.096 -5.306 0.575 1.00 0.00 H new ATOM 0 HE2 LYS A 98 81.448 -7.322 2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 98 80.751 -8.312 0.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 83.167 -8.095 0.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 82.356 -7.364 -0.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 83.031 -6.404 0.634 1.00 0.00 H new ATOM 23 N MET A 99 74.795 -4.672 1.012 1.00 0.00 N ATOM 24 CA MET A 99 73.487 -4.842 0.313 1.00 0.00 C ATOM 25 C MET A 99 73.258 -3.689 -0.666 1.00 0.00 C ATOM 26 O MET A 99 74.028 -2.751 -0.725 1.00 0.00 O ATOM 27 CB MET A 99 72.422 -4.822 1.412 1.00 0.00 C ATOM 28 CG MET A 99 72.774 -3.766 2.460 1.00 0.00 C ATOM 29 SD MET A 99 71.479 -3.724 3.724 1.00 0.00 S ATOM 30 CE MET A 99 70.071 -3.517 2.606 1.00 0.00 C ATOM 0 H MET A 99 75.031 -3.712 1.265 1.00 0.00 H new ATOM 0 HA MET A 99 73.455 -5.768 -0.261 1.00 0.00 H new ATOM 0 HB2 MET A 99 71.445 -4.606 0.980 1.00 0.00 H new ATOM 0 HB3 MET A 99 72.353 -5.803 1.881 1.00 0.00 H new ATOM 0 HG2 MET A 99 73.737 -3.997 2.916 1.00 0.00 H new ATOM 0 HG3 MET A 99 72.871 -2.788 1.989 1.00 0.00 H new ATOM 0 HE1 MET A 99 69.443 -2.699 2.959 1.00 0.00 H new ATOM 0 HE2 MET A 99 70.433 -3.290 1.603 1.00 0.00 H new ATOM 0 HE3 MET A 99 69.488 -4.438 2.581 1.00 0.00 H new ATOM 40 N PHE A 100 72.204 -3.752 -1.432 1.00 0.00 N ATOM 41 CA PHE A 100 71.927 -2.659 -2.408 1.00 0.00 C ATOM 42 C PHE A 100 70.632 -1.934 -2.035 1.00 0.00 C ATOM 43 O PHE A 100 69.602 -2.546 -1.832 1.00 0.00 O ATOM 44 CB PHE A 100 71.787 -3.365 -3.760 1.00 0.00 C ATOM 45 CG PHE A 100 71.810 -2.347 -4.877 1.00 0.00 C ATOM 46 CD1 PHE A 100 70.834 -1.345 -4.940 1.00 0.00 C ATOM 47 CD2 PHE A 100 72.813 -2.407 -5.851 1.00 0.00 C ATOM 48 CE1 PHE A 100 70.861 -0.405 -5.977 1.00 0.00 C ATOM 49 CE2 PHE A 100 72.840 -1.467 -6.888 1.00 0.00 C ATOM 50 CZ PHE A 100 71.865 -0.466 -6.951 1.00 0.00 C ATOM 0 H PHE A 100 71.523 -4.511 -1.425 1.00 0.00 H new ATOM 0 HA PHE A 100 72.714 -1.905 -2.424 1.00 0.00 H new ATOM 0 HB2 PHE A 100 72.598 -4.081 -3.892 1.00 0.00 H new ATOM 0 HB3 PHE A 100 70.855 -3.930 -3.790 1.00 0.00 H new ATOM 0 HD1 PHE A 100 70.060 -1.297 -4.188 1.00 0.00 H new ATOM 0 HD2 PHE A 100 73.567 -3.179 -5.803 1.00 0.00 H new ATOM 0 HE1 PHE A 100 70.107 0.367 -6.026 1.00 0.00 H new ATOM 0 HE2 PHE A 100 73.614 -1.515 -7.640 1.00 0.00 H new ATOM 0 HZ PHE A 100 71.887 0.260 -7.751 1.00 0.00 H new ATOM 60 N ILE A 101 70.674 -0.634 -1.954 1.00 0.00 N ATOM 61 CA ILE A 101 69.444 0.134 -1.603 1.00 0.00 C ATOM 62 C ILE A 101 68.987 0.937 -2.820 1.00 0.00 C ATOM 63 O ILE A 101 69.476 2.021 -3.081 1.00 0.00 O ATOM 64 CB ILE A 101 69.848 1.069 -0.459 1.00 0.00 C ATOM 65 CG1 ILE A 101 70.829 0.356 0.478 1.00 0.00 C ATOM 66 CG2 ILE A 101 68.603 1.466 0.331 1.00 0.00 C ATOM 67 CD1 ILE A 101 70.266 -1.013 0.862 1.00 0.00 C ATOM 0 H ILE A 101 71.507 -0.068 -2.116 1.00 0.00 H new ATOM 0 HA ILE A 101 68.620 -0.515 -1.306 1.00 0.00 H new ATOM 0 HB ILE A 101 70.326 1.956 -0.874 1.00 0.00 H new ATOM 0 HG12 ILE A 101 71.796 0.239 -0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 101 70.995 0.956 1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 101 68.886 2.132 1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 101 67.902 1.978 -0.328 1.00 0.00 H new ATOM 0 HG23 ILE A 101 68.131 0.572 0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 101 70.964 -1.520 1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 101 69.310 -0.884 1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 101 70.122 -1.613 -0.037 1.00 0.00 H new ATOM 79 N GLY A 102 68.063 0.407 -3.576 1.00 0.00 N ATOM 80 CA GLY A 102 67.586 1.138 -4.785 1.00 0.00 C ATOM 81 C GLY A 102 66.355 1.978 -4.435 1.00 0.00 C ATOM 82 O GLY A 102 65.304 1.455 -4.123 1.00 0.00 O ATOM 0 H GLY A 102 67.620 -0.496 -3.410 1.00 0.00 H new ATOM 0 HA2 GLY A 102 68.379 1.781 -5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 102 67.340 0.429 -5.576 1.00 0.00 H new ATOM 86 N GLY A 103 66.475 3.278 -4.495 1.00 0.00 N ATOM 87 CA GLY A 103 65.307 4.151 -4.173 1.00 0.00 C ATOM 88 C GLY A 103 65.783 5.431 -3.478 1.00 0.00 C ATOM 89 O GLY A 103 65.112 5.964 -2.617 1.00 0.00 O ATOM 0 H GLY A 103 67.329 3.773 -4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 103 64.768 4.403 -5.087 1.00 0.00 H new ATOM 0 HA3 GLY A 103 64.610 3.616 -3.529 1.00 0.00 H new ATOM 93 N LEU A 104 66.932 5.932 -3.844 1.00 0.00 N ATOM 94 CA LEU A 104 67.441 7.178 -3.203 1.00 0.00 C ATOM 95 C LEU A 104 66.982 8.404 -3.997 1.00 0.00 C ATOM 96 O LEU A 104 66.773 8.338 -5.192 1.00 0.00 O ATOM 97 CB LEU A 104 68.966 7.055 -3.241 1.00 0.00 C ATOM 98 CG LEU A 104 69.449 6.160 -2.096 1.00 0.00 C ATOM 99 CD1 LEU A 104 68.838 6.634 -0.777 1.00 0.00 C ATOM 100 CD2 LEU A 104 69.026 4.712 -2.364 1.00 0.00 C ATOM 0 H LEU A 104 67.540 5.532 -4.559 1.00 0.00 H new ATOM 0 HA LEU A 104 67.070 7.299 -2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 104 69.282 6.638 -4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 104 69.421 8.042 -3.158 1.00 0.00 H new ATOM 0 HG LEU A 104 70.536 6.216 -2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 104 69.184 5.995 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 104 69.142 7.663 -0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 104 67.751 6.583 -0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 104 69.370 4.076 -1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 104 67.940 4.657 -2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 104 69.467 4.372 -3.301 1.00 0.00 H new ATOM 112 N SER A 105 66.831 9.525 -3.345 1.00 0.00 N ATOM 113 CA SER A 105 66.394 10.754 -4.070 1.00 0.00 C ATOM 114 C SER A 105 67.558 11.321 -4.888 1.00 0.00 C ATOM 115 O SER A 105 68.639 10.765 -4.911 1.00 0.00 O ATOM 116 CB SER A 105 65.978 11.734 -2.975 1.00 0.00 C ATOM 117 OG SER A 105 67.055 11.897 -2.060 1.00 0.00 O ATOM 0 H SER A 105 66.991 9.644 -2.345 1.00 0.00 H new ATOM 0 HA SER A 105 65.580 10.558 -4.768 1.00 0.00 H new ATOM 0 HB2 SER A 105 65.709 12.695 -3.413 1.00 0.00 H new ATOM 0 HB3 SER A 105 65.095 11.363 -2.454 1.00 0.00 H new ATOM 0 HG SER A 105 66.793 12.526 -1.356 1.00 0.00 H new ATOM 123 N TRP A 106 67.348 12.419 -5.560 1.00 0.00 N ATOM 124 CA TRP A 106 68.448 13.011 -6.374 1.00 0.00 C ATOM 125 C TRP A 106 69.378 13.842 -5.488 1.00 0.00 C ATOM 126 O TRP A 106 70.276 14.507 -5.965 1.00 0.00 O ATOM 127 CB TRP A 106 67.752 13.904 -7.404 1.00 0.00 C ATOM 128 CG TRP A 106 66.645 13.147 -8.063 1.00 0.00 C ATOM 129 CD1 TRP A 106 66.703 11.847 -8.432 1.00 0.00 C ATOM 130 CD2 TRP A 106 65.319 13.620 -8.439 1.00 0.00 C ATOM 131 NE1 TRP A 106 65.498 11.492 -9.009 1.00 0.00 N ATOM 132 CE2 TRP A 106 64.612 12.551 -9.037 1.00 0.00 C ATOM 133 CE3 TRP A 106 64.668 14.862 -8.321 1.00 0.00 C ATOM 134 CZ2 TRP A 106 63.305 12.708 -9.501 1.00 0.00 C ATOM 135 CZ3 TRP A 106 63.353 15.023 -8.787 1.00 0.00 C ATOM 136 CH2 TRP A 106 62.673 13.947 -9.376 1.00 0.00 C ATOM 0 H TRP A 106 66.466 12.931 -5.581 1.00 0.00 H new ATOM 0 HA TRP A 106 69.062 12.245 -6.849 1.00 0.00 H new ATOM 0 HB2 TRP A 106 67.356 14.796 -6.918 1.00 0.00 H new ATOM 0 HB3 TRP A 106 68.470 14.241 -8.152 1.00 0.00 H new ATOM 0 HD1 TRP A 106 67.552 11.193 -8.298 1.00 0.00 H new ATOM 0 HE1 TRP A 106 65.289 10.561 -9.370 1.00 0.00 H new ATOM 0 HE3 TRP A 106 65.183 15.697 -7.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 62.786 11.876 -9.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 62.863 15.981 -8.691 1.00 0.00 H new ATOM 0 HH2 TRP A 106 61.662 14.076 -9.732 1.00 0.00 H new ATOM 147 N ASP A 107 69.170 13.808 -4.202 1.00 0.00 N ATOM 148 CA ASP A 107 70.042 14.595 -3.289 1.00 0.00 C ATOM 149 C ASP A 107 70.337 13.789 -2.021 1.00 0.00 C ATOM 150 O ASP A 107 70.493 14.337 -0.948 1.00 0.00 O ATOM 151 CB ASP A 107 69.237 15.853 -2.955 1.00 0.00 C ATOM 152 CG ASP A 107 67.789 15.470 -2.640 1.00 0.00 C ATOM 153 OD1 ASP A 107 67.120 14.973 -3.532 1.00 0.00 O ATOM 154 OD2 ASP A 107 67.372 15.683 -1.514 1.00 0.00 O ATOM 0 H ASP A 107 68.434 13.270 -3.744 1.00 0.00 H new ATOM 0 HA ASP A 107 71.003 14.839 -3.741 1.00 0.00 H new ATOM 0 HB2 ASP A 107 69.682 16.365 -2.102 1.00 0.00 H new ATOM 0 HB3 ASP A 107 69.265 16.548 -3.794 1.00 0.00 H new ATOM 159 N THR A 108 70.411 12.490 -2.137 1.00 0.00 N ATOM 160 CA THR A 108 70.693 11.653 -0.932 1.00 0.00 C ATOM 161 C THR A 108 72.180 11.708 -0.583 1.00 0.00 C ATOM 162 O THR A 108 73.021 11.947 -1.428 1.00 0.00 O ATOM 163 CB THR A 108 70.289 10.231 -1.322 1.00 0.00 C ATOM 164 OG1 THR A 108 68.992 10.251 -1.901 1.00 0.00 O ATOM 165 CG2 THR A 108 70.279 9.344 -0.075 1.00 0.00 C ATOM 0 H THR A 108 70.289 11.974 -3.008 1.00 0.00 H new ATOM 0 HA THR A 108 70.147 12.004 -0.056 1.00 0.00 H new ATOM 0 HB THR A 108 71.003 9.834 -2.044 1.00 0.00 H new ATOM 0 HG1 THR A 108 68.511 11.049 -1.598 1.00 0.00 H new ATOM 0 HG21 THR A 108 69.991 8.330 -0.352 1.00 0.00 H new ATOM 0 HG22 THR A 108 71.274 9.330 0.370 1.00 0.00 H new ATOM 0 HG23 THR A 108 69.565 9.739 0.647 1.00 0.00 H new ATOM 173 N THR A 109 72.513 11.488 0.660 1.00 0.00 N ATOM 174 CA THR A 109 73.945 11.527 1.066 1.00 0.00 C ATOM 175 C THR A 109 74.331 10.231 1.780 1.00 0.00 C ATOM 176 O THR A 109 73.489 9.490 2.247 1.00 0.00 O ATOM 177 CB THR A 109 74.056 12.715 2.020 1.00 0.00 C ATOM 178 OG1 THR A 109 72.974 12.683 2.941 1.00 0.00 O ATOM 179 CG2 THR A 109 74.011 14.018 1.222 1.00 0.00 C ATOM 0 H THR A 109 71.854 11.283 1.411 1.00 0.00 H new ATOM 0 HA THR A 109 74.611 11.628 0.209 1.00 0.00 H new ATOM 0 HB THR A 109 74.999 12.658 2.564 1.00 0.00 H new ATOM 0 HG1 THR A 109 73.044 13.444 3.555 1.00 0.00 H new ATOM 0 HG21 THR A 109 74.090 14.865 1.904 1.00 0.00 H new ATOM 0 HG22 THR A 109 74.841 14.041 0.516 1.00 0.00 H new ATOM 0 HG23 THR A 109 73.069 14.078 0.676 1.00 0.00 H new ATOM 187 N LYS A 110 75.599 9.951 1.873 1.00 0.00 N ATOM 188 CA LYS A 110 76.035 8.705 2.560 1.00 0.00 C ATOM 189 C LYS A 110 75.663 8.764 4.044 1.00 0.00 C ATOM 190 O LYS A 110 75.585 7.754 4.716 1.00 0.00 O ATOM 191 CB LYS A 110 77.554 8.672 2.387 1.00 0.00 C ATOM 192 CG LYS A 110 77.958 7.396 1.647 1.00 0.00 C ATOM 193 CD LYS A 110 79.459 7.157 1.821 1.00 0.00 C ATOM 194 CE LYS A 110 80.222 8.442 1.496 1.00 0.00 C ATOM 195 NZ LYS A 110 81.460 7.988 0.803 1.00 0.00 N ATOM 0 H LYS A 110 76.353 10.530 1.503 1.00 0.00 H new ATOM 0 HA LYS A 110 75.558 7.815 2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 110 77.886 9.548 1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 110 78.042 8.710 3.361 1.00 0.00 H new ATOM 0 HG2 LYS A 110 77.397 6.546 2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 110 77.714 7.484 0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 110 79.672 6.844 2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 110 79.788 6.351 1.165 1.00 0.00 H new ATOM 0 HE2 LYS A 110 79.632 9.101 0.859 1.00 0.00 H new ATOM 0 HE3 LYS A 110 80.458 9.001 2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 82.038 8.814 0.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 82.004 7.367 1.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 81.204 7.465 -0.059 1.00 0.00 H new ATOM 209 N LYS A 111 75.439 9.942 4.563 1.00 0.00 N ATOM 210 CA LYS A 111 75.082 10.066 6.007 1.00 0.00 C ATOM 211 C LYS A 111 73.566 9.960 6.208 1.00 0.00 C ATOM 212 O LYS A 111 73.099 9.243 7.072 1.00 0.00 O ATOM 213 CB LYS A 111 75.583 11.450 6.419 1.00 0.00 C ATOM 214 CG LYS A 111 77.048 11.353 6.852 1.00 0.00 C ATOM 215 CD LYS A 111 77.844 12.496 6.221 1.00 0.00 C ATOM 216 CE LYS A 111 78.900 12.992 7.213 1.00 0.00 C ATOM 217 NZ LYS A 111 79.832 11.845 7.384 1.00 0.00 N ATOM 0 H LYS A 111 75.488 10.823 4.051 1.00 0.00 H new ATOM 0 HA LYS A 111 75.527 9.271 6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 111 75.484 12.147 5.587 1.00 0.00 H new ATOM 0 HB3 LYS A 111 74.976 11.840 7.236 1.00 0.00 H new ATOM 0 HG2 LYS A 111 77.121 11.402 7.938 1.00 0.00 H new ATOM 0 HG3 LYS A 111 77.465 10.393 6.547 1.00 0.00 H new ATOM 0 HD2 LYS A 111 78.323 12.156 5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 111 77.175 13.312 5.948 1.00 0.00 H new ATOM 0 HE2 LYS A 111 79.420 13.870 6.830 1.00 0.00 H new ATOM 0 HE3 LYS A 111 78.447 13.278 8.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 80.740 12.188 7.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 79.420 11.159 8.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 79.989 11.385 6.465 1.00 0.00 H new ATOM 231 N ASP A 112 72.790 10.665 5.428 1.00 0.00 N ATOM 232 CA ASP A 112 71.309 10.590 5.599 1.00 0.00 C ATOM 233 C ASP A 112 70.832 9.149 5.386 1.00 0.00 C ATOM 234 O ASP A 112 69.861 8.713 5.975 1.00 0.00 O ATOM 235 CB ASP A 112 70.727 11.549 4.547 1.00 0.00 C ATOM 236 CG ASP A 112 70.459 10.811 3.228 1.00 0.00 C ATOM 237 OD1 ASP A 112 71.323 10.067 2.802 1.00 0.00 O ATOM 238 OD2 ASP A 112 69.390 11.004 2.672 1.00 0.00 O ATOM 0 H ASP A 112 73.114 11.285 4.686 1.00 0.00 H new ATOM 0 HA ASP A 112 70.986 10.874 6.600 1.00 0.00 H new ATOM 0 HB2 ASP A 112 69.801 11.986 4.919 1.00 0.00 H new ATOM 0 HB3 ASP A 112 71.421 12.372 4.374 1.00 0.00 H new ATOM 243 N LEU A 113 71.513 8.403 4.559 1.00 0.00 N ATOM 244 CA LEU A 113 71.101 6.989 4.325 1.00 0.00 C ATOM 245 C LEU A 113 71.694 6.098 5.417 1.00 0.00 C ATOM 246 O LEU A 113 71.015 5.270 5.991 1.00 0.00 O ATOM 247 CB LEU A 113 71.672 6.618 2.955 1.00 0.00 C ATOM 248 CG LEU A 113 71.088 5.277 2.506 1.00 0.00 C ATOM 249 CD1 LEU A 113 69.564 5.382 2.429 1.00 0.00 C ATOM 250 CD2 LEU A 113 71.640 4.914 1.126 1.00 0.00 C ATOM 0 H LEU A 113 72.334 8.710 4.037 1.00 0.00 H new ATOM 0 HA LEU A 113 70.019 6.861 4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 113 71.433 7.393 2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 113 72.759 6.554 3.007 1.00 0.00 H new ATOM 0 HG LEU A 113 71.365 4.505 3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 113 69.149 4.426 2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 113 69.167 5.639 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 113 69.288 6.155 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 113 71.223 3.959 0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 113 71.364 5.687 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 113 72.726 4.837 1.177 1.00 0.00 H new ATOM 262 N LYS A 114 72.952 6.270 5.719 1.00 0.00 N ATOM 263 CA LYS A 114 73.573 5.438 6.787 1.00 0.00 C ATOM 264 C LYS A 114 72.791 5.621 8.087 1.00 0.00 C ATOM 265 O LYS A 114 72.665 4.711 8.883 1.00 0.00 O ATOM 266 CB LYS A 114 74.999 5.968 6.940 1.00 0.00 C ATOM 267 CG LYS A 114 75.658 5.306 8.151 1.00 0.00 C ATOM 268 CD LYS A 114 75.990 6.370 9.199 1.00 0.00 C ATOM 269 CE LYS A 114 77.507 6.465 9.373 1.00 0.00 C ATOM 270 NZ LYS A 114 77.768 5.971 10.755 1.00 0.00 N ATOM 0 H LYS A 114 73.573 6.947 5.275 1.00 0.00 H new ATOM 0 HA LYS A 114 73.569 4.375 6.545 1.00 0.00 H new ATOM 0 HB2 LYS A 114 75.575 5.759 6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 114 74.985 7.051 7.066 1.00 0.00 H new ATOM 0 HG2 LYS A 114 74.990 4.557 8.577 1.00 0.00 H new ATOM 0 HG3 LYS A 114 76.566 4.786 7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 114 75.588 7.335 8.891 1.00 0.00 H new ATOM 0 HD3 LYS A 114 75.520 6.117 10.150 1.00 0.00 H new ATOM 0 HE2 LYS A 114 78.028 5.859 8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 114 77.855 7.490 9.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 78.789 6.006 10.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 77.265 6.571 11.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 77.432 4.991 10.842 1.00 0.00 H new ATOM 284 N ASP A 115 72.256 6.793 8.306 1.00 0.00 N ATOM 285 CA ASP A 115 71.475 7.031 9.551 1.00 0.00 C ATOM 286 C ASP A 115 70.114 6.366 9.436 1.00 0.00 C ATOM 287 O ASP A 115 69.748 5.554 10.262 1.00 0.00 O ATOM 288 CB ASP A 115 71.334 8.549 9.665 1.00 0.00 C ATOM 289 CG ASP A 115 72.099 9.045 10.892 1.00 0.00 C ATOM 290 OD1 ASP A 115 71.676 8.737 11.995 1.00 0.00 O ATOM 291 OD2 ASP A 115 73.094 9.728 10.710 1.00 0.00 O ATOM 0 H ASP A 115 72.327 7.593 7.677 1.00 0.00 H new ATOM 0 HA ASP A 115 71.963 6.615 10.432 1.00 0.00 H new ATOM 0 HB2 ASP A 115 71.720 9.029 8.765 1.00 0.00 H new ATOM 0 HB3 ASP A 115 70.282 8.821 9.745 1.00 0.00 H new ATOM 296 N TYR A 116 69.365 6.671 8.414 1.00 0.00 N ATOM 297 CA TYR A 116 68.047 6.002 8.272 1.00 0.00 C ATOM 298 C TYR A 116 68.242 4.509 8.505 1.00 0.00 C ATOM 299 O TYR A 116 67.370 3.818 8.995 1.00 0.00 O ATOM 300 CB TYR A 116 67.614 6.246 6.834 1.00 0.00 C ATOM 301 CG TYR A 116 66.405 5.391 6.551 1.00 0.00 C ATOM 302 CD1 TYR A 116 65.137 5.844 6.924 1.00 0.00 C ATOM 303 CD2 TYR A 116 66.550 4.149 5.920 1.00 0.00 C ATOM 304 CE1 TYR A 116 64.009 5.057 6.668 1.00 0.00 C ATOM 305 CE2 TYR A 116 65.422 3.361 5.662 1.00 0.00 C ATOM 306 CZ TYR A 116 64.151 3.815 6.035 1.00 0.00 C ATOM 307 OH TYR A 116 63.038 3.038 5.781 1.00 0.00 O ATOM 0 H TYR A 116 69.604 7.342 7.684 1.00 0.00 H new ATOM 0 HA TYR A 116 67.306 6.376 8.978 1.00 0.00 H new ATOM 0 HB2 TYR A 116 67.378 7.299 6.682 1.00 0.00 H new ATOM 0 HB3 TYR A 116 68.423 5.999 6.147 1.00 0.00 H new ATOM 0 HD1 TYR A 116 65.028 6.802 7.410 1.00 0.00 H new ATOM 0 HD2 TYR A 116 67.531 3.800 5.633 1.00 0.00 H new ATOM 0 HE1 TYR A 116 63.029 5.407 6.958 1.00 0.00 H new ATOM 0 HE2 TYR A 116 65.532 2.403 5.175 1.00 0.00 H new ATOM 0 HH TYR A 116 62.229 3.583 5.880 1.00 0.00 H new ATOM 317 N PHE A 117 69.395 4.009 8.146 1.00 0.00 N ATOM 318 CA PHE A 117 69.668 2.562 8.335 1.00 0.00 C ATOM 319 C PHE A 117 70.322 2.294 9.693 1.00 0.00 C ATOM 320 O PHE A 117 70.404 1.167 10.142 1.00 0.00 O ATOM 321 CB PHE A 117 70.579 2.170 7.172 1.00 0.00 C ATOM 322 CG PHE A 117 69.705 1.835 5.989 1.00 0.00 C ATOM 323 CD1 PHE A 117 68.769 0.803 6.097 1.00 0.00 C ATOM 324 CD2 PHE A 117 69.806 2.569 4.802 1.00 0.00 C ATOM 325 CE1 PHE A 117 67.933 0.497 5.021 1.00 0.00 C ATOM 326 CE2 PHE A 117 68.971 2.261 3.719 1.00 0.00 C ATOM 327 CZ PHE A 117 68.033 1.225 3.831 1.00 0.00 C ATOM 0 H PHE A 117 70.157 4.544 7.730 1.00 0.00 H new ATOM 0 HA PHE A 117 68.753 1.970 8.336 1.00 0.00 H new ATOM 0 HB2 PHE A 117 71.257 2.988 6.926 1.00 0.00 H new ATOM 0 HB3 PHE A 117 71.197 1.314 7.444 1.00 0.00 H new ATOM 0 HD1 PHE A 117 68.692 0.240 7.016 1.00 0.00 H new ATOM 0 HD2 PHE A 117 70.525 3.371 4.720 1.00 0.00 H new ATOM 0 HE1 PHE A 117 67.210 -0.301 5.108 1.00 0.00 H new ATOM 0 HE2 PHE A 117 69.050 2.821 2.799 1.00 0.00 H new ATOM 0 HZ PHE A 117 67.387 0.989 2.998 1.00 0.00 H new ATOM 337 N SER A 118 70.768 3.314 10.365 1.00 0.00 N ATOM 338 CA SER A 118 71.382 3.098 11.703 1.00 0.00 C ATOM 339 C SER A 118 70.299 2.626 12.679 1.00 0.00 C ATOM 340 O SER A 118 70.579 2.223 13.792 1.00 0.00 O ATOM 341 CB SER A 118 71.928 4.464 12.116 1.00 0.00 C ATOM 342 OG SER A 118 72.505 4.366 13.412 1.00 0.00 O ATOM 0 H SER A 118 70.735 4.283 10.049 1.00 0.00 H new ATOM 0 HA SER A 118 72.168 2.343 11.695 1.00 0.00 H new ATOM 0 HB2 SER A 118 72.674 4.803 11.397 1.00 0.00 H new ATOM 0 HB3 SER A 118 71.127 5.204 12.117 1.00 0.00 H new ATOM 0 HG SER A 118 72.858 5.240 13.680 1.00 0.00 H new ATOM 348 N LYS A 119 69.058 2.675 12.263 1.00 0.00 N ATOM 349 CA LYS A 119 67.945 2.232 13.148 1.00 0.00 C ATOM 350 C LYS A 119 67.840 0.706 13.151 1.00 0.00 C ATOM 351 O LYS A 119 67.211 0.120 14.010 1.00 0.00 O ATOM 352 CB LYS A 119 66.690 2.849 12.534 1.00 0.00 C ATOM 353 CG LYS A 119 65.569 2.862 13.571 1.00 0.00 C ATOM 354 CD LYS A 119 65.585 4.199 14.314 1.00 0.00 C ATOM 355 CE LYS A 119 64.854 4.055 15.651 1.00 0.00 C ATOM 356 NZ LYS A 119 63.412 4.219 15.320 1.00 0.00 N ATOM 0 H LYS A 119 68.770 3.005 11.342 1.00 0.00 H new ATOM 0 HA LYS A 119 68.094 2.540 14.183 1.00 0.00 H new ATOM 0 HB2 LYS A 119 66.899 3.864 12.196 1.00 0.00 H new ATOM 0 HB3 LYS A 119 66.383 2.278 11.658 1.00 0.00 H new ATOM 0 HG2 LYS A 119 64.605 2.715 13.084 1.00 0.00 H new ATOM 0 HG3 LYS A 119 65.699 2.040 14.275 1.00 0.00 H new ATOM 0 HD2 LYS A 119 66.613 4.520 14.483 1.00 0.00 H new ATOM 0 HD3 LYS A 119 65.107 4.969 13.708 1.00 0.00 H new ATOM 0 HE2 LYS A 119 65.047 3.083 16.104 1.00 0.00 H new ATOM 0 HE3 LYS A 119 65.184 4.810 16.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 62.845 4.133 16.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 63.257 5.156 14.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 63.125 3.482 14.644 1.00 0.00 H new ATOM 370 N PHE A 120 68.451 0.055 12.199 1.00 0.00 N ATOM 371 CA PHE A 120 68.381 -1.432 12.158 1.00 0.00 C ATOM 372 C PHE A 120 69.525 -2.024 12.980 1.00 0.00 C ATOM 373 O PHE A 120 69.321 -2.837 13.860 1.00 0.00 O ATOM 374 CB PHE A 120 68.550 -1.811 10.686 1.00 0.00 C ATOM 375 CG PHE A 120 67.476 -1.163 9.842 1.00 0.00 C ATOM 376 CD1 PHE A 120 66.197 -1.726 9.773 1.00 0.00 C ATOM 377 CD2 PHE A 120 67.770 -0.010 9.105 1.00 0.00 C ATOM 378 CE1 PHE A 120 65.215 -1.137 8.963 1.00 0.00 C ATOM 379 CE2 PHE A 120 66.790 0.580 8.302 1.00 0.00 C ATOM 380 CZ PHE A 120 65.515 0.017 8.229 1.00 0.00 C ATOM 0 H PHE A 120 68.993 0.487 11.451 1.00 0.00 H new ATOM 0 HA PHE A 120 67.444 -1.808 12.569 1.00 0.00 H new ATOM 0 HB2 PHE A 120 69.534 -1.498 10.335 1.00 0.00 H new ATOM 0 HB3 PHE A 120 68.502 -2.894 10.576 1.00 0.00 H new ATOM 0 HD1 PHE A 120 65.966 -2.614 10.343 1.00 0.00 H new ATOM 0 HD2 PHE A 120 68.757 0.425 9.157 1.00 0.00 H new ATOM 0 HE1 PHE A 120 64.229 -1.573 8.906 1.00 0.00 H new ATOM 0 HE2 PHE A 120 67.019 1.472 7.738 1.00 0.00 H new ATOM 0 HZ PHE A 120 64.759 0.472 7.606 1.00 0.00 H new ATOM 390 N GLY A 121 70.728 -1.617 12.697 1.00 0.00 N ATOM 391 CA GLY A 121 71.897 -2.145 13.452 1.00 0.00 C ATOM 392 C GLY A 121 73.109 -1.243 13.211 1.00 0.00 C ATOM 393 O GLY A 121 72.975 -0.098 12.826 1.00 0.00 O ATOM 0 H GLY A 121 70.954 -0.937 11.971 1.00 0.00 H new ATOM 0 HA2 GLY A 121 71.667 -2.187 14.517 1.00 0.00 H new ATOM 0 HA3 GLY A 121 72.119 -3.164 13.134 1.00 0.00 H new ATOM 397 N GLU A 122 74.290 -1.749 13.433 1.00 0.00 N ATOM 398 CA GLU A 122 75.509 -0.920 13.216 1.00 0.00 C ATOM 399 C GLU A 122 75.992 -1.056 11.770 1.00 0.00 C ATOM 400 O GLU A 122 76.063 -2.140 11.233 1.00 0.00 O ATOM 401 CB GLU A 122 76.549 -1.495 14.179 1.00 0.00 C ATOM 402 CG GLU A 122 76.827 -0.490 15.298 1.00 0.00 C ATOM 403 CD GLU A 122 77.027 -1.241 16.616 1.00 0.00 C ATOM 404 OE1 GLU A 122 76.118 -1.950 17.015 1.00 0.00 O ATOM 405 OE2 GLU A 122 78.085 -1.095 17.204 1.00 0.00 O ATOM 0 H GLU A 122 74.464 -2.701 13.755 1.00 0.00 H new ATOM 0 HA GLU A 122 75.325 0.140 13.392 1.00 0.00 H new ATOM 0 HB2 GLU A 122 76.188 -2.433 14.601 1.00 0.00 H new ATOM 0 HB3 GLU A 122 77.471 -1.720 13.642 1.00 0.00 H new ATOM 0 HG2 GLU A 122 77.715 0.097 15.063 1.00 0.00 H new ATOM 0 HG3 GLU A 122 75.996 0.210 15.388 1.00 0.00 H new ATOM 412 N VAL A 123 76.333 0.036 11.141 1.00 0.00 N ATOM 413 CA VAL A 123 76.822 -0.033 9.732 1.00 0.00 C ATOM 414 C VAL A 123 78.297 0.333 9.659 1.00 0.00 C ATOM 415 O VAL A 123 78.739 1.323 10.206 1.00 0.00 O ATOM 416 CB VAL A 123 75.961 0.971 8.952 1.00 0.00 C ATOM 417 CG1 VAL A 123 76.770 1.607 7.813 1.00 0.00 C ATOM 418 CG2 VAL A 123 74.787 0.223 8.336 1.00 0.00 C ATOM 0 H VAL A 123 76.294 0.973 11.541 1.00 0.00 H new ATOM 0 HA VAL A 123 76.735 -1.038 9.318 1.00 0.00 H new ATOM 0 HB VAL A 123 75.623 1.751 9.634 1.00 0.00 H new ATOM 0 HG11 VAL A 123 76.142 2.315 7.272 1.00 0.00 H new ATOM 0 HG12 VAL A 123 77.633 2.129 8.227 1.00 0.00 H new ATOM 0 HG13 VAL A 123 77.110 0.829 7.130 1.00 0.00 H new ATOM 0 HG21 VAL A 123 74.164 0.921 7.777 1.00 0.00 H new ATOM 0 HG22 VAL A 123 75.160 -0.549 7.663 1.00 0.00 H new ATOM 0 HG23 VAL A 123 74.195 -0.240 9.126 1.00 0.00 H new ATOM 428 N VAL A 124 79.050 -0.448 8.948 1.00 0.00 N ATOM 429 CA VAL A 124 80.486 -0.142 8.787 1.00 0.00 C ATOM 430 C VAL A 124 80.634 0.764 7.577 1.00 0.00 C ATOM 431 O VAL A 124 81.582 1.515 7.457 1.00 0.00 O ATOM 432 CB VAL A 124 81.163 -1.497 8.534 1.00 0.00 C ATOM 433 CG1 VAL A 124 82.394 -1.311 7.634 1.00 0.00 C ATOM 434 CG2 VAL A 124 81.602 -2.101 9.870 1.00 0.00 C ATOM 0 H VAL A 124 78.729 -1.290 8.470 1.00 0.00 H new ATOM 0 HA VAL A 124 80.926 0.357 9.650 1.00 0.00 H new ATOM 0 HB VAL A 124 80.455 -2.163 8.040 1.00 0.00 H new ATOM 0 HG11 VAL A 124 82.867 -2.277 7.460 1.00 0.00 H new ATOM 0 HG12 VAL A 124 82.086 -0.881 6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 124 83.103 -0.642 8.121 1.00 0.00 H new ATOM 0 HG21 VAL A 124 82.083 -3.063 9.694 1.00 0.00 H new ATOM 0 HG22 VAL A 124 82.306 -1.428 10.360 1.00 0.00 H new ATOM 0 HG23 VAL A 124 80.730 -2.243 10.509 1.00 0.00 H new ATOM 444 N ASP A 125 79.706 0.686 6.663 1.00 0.00 N ATOM 445 CA ASP A 125 79.825 1.538 5.457 1.00 0.00 C ATOM 446 C ASP A 125 78.459 1.903 4.866 1.00 0.00 C ATOM 447 O ASP A 125 77.434 1.358 5.227 1.00 0.00 O ATOM 448 CB ASP A 125 80.632 0.702 4.464 1.00 0.00 C ATOM 449 CG ASP A 125 82.090 1.165 4.473 1.00 0.00 C ATOM 450 OD1 ASP A 125 82.315 2.350 4.285 1.00 0.00 O ATOM 451 OD2 ASP A 125 82.955 0.328 4.669 1.00 0.00 O ATOM 0 H ASP A 125 78.887 0.080 6.700 1.00 0.00 H new ATOM 0 HA ASP A 125 80.302 2.489 5.695 1.00 0.00 H new ATOM 0 HB2 ASP A 125 80.573 -0.354 4.729 1.00 0.00 H new ATOM 0 HB3 ASP A 125 80.213 0.803 3.463 1.00 0.00 H new ATOM 456 N CYS A 126 78.465 2.828 3.943 1.00 0.00 N ATOM 457 CA CYS A 126 77.206 3.270 3.274 1.00 0.00 C ATOM 458 C CYS A 126 77.575 4.103 2.050 1.00 0.00 C ATOM 459 O CYS A 126 78.605 4.745 2.019 1.00 0.00 O ATOM 460 CB CYS A 126 76.469 4.120 4.312 1.00 0.00 C ATOM 461 SG CYS A 126 74.986 4.835 3.560 1.00 0.00 S ATOM 0 H CYS A 126 79.306 3.305 3.618 1.00 0.00 H new ATOM 0 HA CYS A 126 76.583 2.440 2.940 1.00 0.00 H new ATOM 0 HB2 CYS A 126 76.195 3.508 5.171 1.00 0.00 H new ATOM 0 HB3 CYS A 126 77.122 4.912 4.680 1.00 0.00 H new ATOM 0 HG CYS A 126 74.917 6.099 3.854 1.00 0.00 H new ATOM 467 N THR A 127 76.772 4.079 1.026 1.00 0.00 N ATOM 468 CA THR A 127 77.130 4.853 -0.190 1.00 0.00 C ATOM 469 C THR A 127 75.880 5.314 -0.954 1.00 0.00 C ATOM 470 O THR A 127 74.868 4.641 -0.989 1.00 0.00 O ATOM 471 CB THR A 127 77.972 3.860 -1.008 1.00 0.00 C ATOM 472 OG1 THR A 127 79.349 4.158 -0.829 1.00 0.00 O ATOM 473 CG2 THR A 127 77.627 3.951 -2.494 1.00 0.00 C ATOM 0 H THR A 127 75.893 3.563 0.978 1.00 0.00 H new ATOM 0 HA THR A 127 77.669 5.774 0.034 1.00 0.00 H new ATOM 0 HB THR A 127 77.755 2.850 -0.661 1.00 0.00 H new ATOM 0 HG1 THR A 127 79.505 4.440 0.096 1.00 0.00 H new ATOM 0 HG21 THR A 127 78.235 3.240 -3.053 1.00 0.00 H new ATOM 0 HG22 THR A 127 76.572 3.718 -2.637 1.00 0.00 H new ATOM 0 HG23 THR A 127 77.828 4.960 -2.853 1.00 0.00 H new ATOM 481 N LEU A 128 75.970 6.453 -1.589 1.00 0.00 N ATOM 482 CA LEU A 128 74.825 6.974 -2.389 1.00 0.00 C ATOM 483 C LEU A 128 75.255 7.044 -3.858 1.00 0.00 C ATOM 484 O LEU A 128 75.937 7.960 -4.275 1.00 0.00 O ATOM 485 CB LEU A 128 74.541 8.373 -1.825 1.00 0.00 C ATOM 486 CG LEU A 128 73.444 9.067 -2.642 1.00 0.00 C ATOM 487 CD1 LEU A 128 74.045 9.646 -3.923 1.00 0.00 C ATOM 488 CD2 LEU A 128 72.345 8.062 -3.003 1.00 0.00 C ATOM 0 H LEU A 128 76.797 7.050 -1.587 1.00 0.00 H new ATOM 0 HA LEU A 128 73.935 6.348 -2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 128 74.233 8.296 -0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 128 75.452 8.972 -1.845 1.00 0.00 H new ATOM 0 HG LEU A 128 73.013 9.871 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 128 73.263 10.138 -4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 128 74.818 10.371 -3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 128 74.483 8.842 -4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 128 71.570 8.563 -3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 128 72.773 7.251 -3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 128 71.909 7.656 -2.090 1.00 0.00 H new ATOM 500 N LYS A 129 74.889 6.065 -4.636 1.00 0.00 N ATOM 501 CA LYS A 129 75.301 6.045 -6.069 1.00 0.00 C ATOM 502 C LYS A 129 74.499 7.056 -6.892 1.00 0.00 C ATOM 503 O LYS A 129 73.280 7.128 -6.810 1.00 0.00 O ATOM 504 CB LYS A 129 75.020 4.618 -6.542 1.00 0.00 C ATOM 505 CG LYS A 129 76.233 4.086 -7.309 1.00 0.00 C ATOM 506 CD LYS A 129 76.469 4.945 -8.552 1.00 0.00 C ATOM 507 CE LYS A 129 77.288 4.153 -9.574 1.00 0.00 C ATOM 508 NZ LYS A 129 78.653 4.063 -8.984 1.00 0.00 N ATOM 0 H LYS A 129 74.319 5.273 -4.340 1.00 0.00 H new ATOM 0 HA LYS A 129 76.349 6.321 -6.190 1.00 0.00 H new ATOM 0 HB2 LYS A 129 74.806 3.976 -5.688 1.00 0.00 H new ATOM 0 HB3 LYS A 129 74.137 4.603 -7.181 1.00 0.00 H new ATOM 0 HG2 LYS A 129 77.116 4.102 -6.670 1.00 0.00 H new ATOM 0 HG3 LYS A 129 76.067 3.048 -7.598 1.00 0.00 H new ATOM 0 HD2 LYS A 129 75.515 5.243 -8.987 1.00 0.00 H new ATOM 0 HD3 LYS A 129 76.995 5.860 -8.280 1.00 0.00 H new ATOM 0 HE2 LYS A 129 76.863 3.163 -9.739 1.00 0.00 H new ATOM 0 HE3 LYS A 129 77.308 4.657 -10.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 79.323 3.734 -9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 78.946 5.000 -8.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 78.644 3.392 -8.190 1.00 0.00 H new ATOM 522 N LEU A 130 75.190 7.826 -7.693 1.00 0.00 N ATOM 523 CA LEU A 130 74.513 8.839 -8.552 1.00 0.00 C ATOM 524 C LEU A 130 74.537 8.368 -10.012 1.00 0.00 C ATOM 525 O LEU A 130 74.472 7.187 -10.291 1.00 0.00 O ATOM 526 CB LEU A 130 75.339 10.124 -8.398 1.00 0.00 C ATOM 527 CG LEU A 130 75.821 10.271 -6.952 1.00 0.00 C ATOM 528 CD1 LEU A 130 77.316 9.951 -6.878 1.00 0.00 C ATOM 529 CD2 LEU A 130 75.585 11.708 -6.481 1.00 0.00 C ATOM 0 H LEU A 130 76.205 7.794 -7.788 1.00 0.00 H new ATOM 0 HA LEU A 130 73.472 8.993 -8.268 1.00 0.00 H new ATOM 0 HB2 LEU A 130 76.194 10.099 -9.074 1.00 0.00 H new ATOM 0 HB3 LEU A 130 74.737 10.988 -8.678 1.00 0.00 H new ATOM 0 HG LEU A 130 75.269 9.582 -6.313 1.00 0.00 H new ATOM 0 HD11 LEU A 130 77.660 10.055 -5.849 1.00 0.00 H new ATOM 0 HD12 LEU A 130 77.486 8.929 -7.216 1.00 0.00 H new ATOM 0 HD13 LEU A 130 77.868 10.641 -7.517 1.00 0.00 H new ATOM 0 HD21 LEU A 130 75.928 11.814 -5.452 1.00 0.00 H new ATOM 0 HD22 LEU A 130 76.138 12.396 -7.120 1.00 0.00 H new ATOM 0 HD23 LEU A 130 74.521 11.938 -6.535 1.00 0.00 H new ATOM 541 N ASP A 131 74.647 9.278 -10.946 1.00 0.00 N ATOM 542 CA ASP A 131 74.698 8.868 -12.383 1.00 0.00 C ATOM 543 C ASP A 131 76.158 8.660 -12.809 1.00 0.00 C ATOM 544 O ASP A 131 76.965 9.563 -12.707 1.00 0.00 O ATOM 545 CB ASP A 131 74.074 10.027 -13.164 1.00 0.00 C ATOM 546 CG ASP A 131 72.615 9.697 -13.487 1.00 0.00 C ATOM 547 OD1 ASP A 131 72.111 8.730 -12.939 1.00 0.00 O ATOM 548 OD2 ASP A 131 72.028 10.416 -14.278 1.00 0.00 O ATOM 0 H ASP A 131 74.704 10.282 -10.778 1.00 0.00 H new ATOM 0 HA ASP A 131 74.167 7.934 -12.564 1.00 0.00 H new ATOM 0 HB2 ASP A 131 74.130 10.945 -12.579 1.00 0.00 H new ATOM 0 HB3 ASP A 131 74.631 10.201 -14.085 1.00 0.00 H new ATOM 553 N PRO A 132 76.453 7.471 -13.263 1.00 0.00 N ATOM 554 CA PRO A 132 77.831 7.144 -13.695 1.00 0.00 C ATOM 555 C PRO A 132 78.098 7.627 -15.128 1.00 0.00 C ATOM 556 O PRO A 132 78.979 7.127 -15.800 1.00 0.00 O ATOM 557 CB PRO A 132 77.867 5.622 -13.630 1.00 0.00 C ATOM 558 CG PRO A 132 76.443 5.178 -13.792 1.00 0.00 C ATOM 559 CD PRO A 132 75.544 6.331 -13.408 1.00 0.00 C ATOM 0 HA PRO A 132 78.589 7.623 -13.076 1.00 0.00 H new ATOM 0 HB2 PRO A 132 78.498 5.211 -14.418 1.00 0.00 H new ATOM 0 HB3 PRO A 132 78.279 5.280 -12.681 1.00 0.00 H new ATOM 0 HG2 PRO A 132 76.254 4.875 -14.822 1.00 0.00 H new ATOM 0 HG3 PRO A 132 76.241 4.312 -13.162 1.00 0.00 H new ATOM 0 HD2 PRO A 132 74.790 6.519 -14.173 1.00 0.00 H new ATOM 0 HD3 PRO A 132 75.011 6.127 -12.479 1.00 0.00 H new ATOM 567 N ILE A 133 77.354 8.586 -15.608 1.00 0.00 N ATOM 568 CA ILE A 133 77.589 9.075 -16.997 1.00 0.00 C ATOM 569 C ILE A 133 77.444 10.602 -17.065 1.00 0.00 C ATOM 570 O ILE A 133 78.263 11.286 -17.646 1.00 0.00 O ATOM 571 CB ILE A 133 76.520 8.371 -17.848 1.00 0.00 C ATOM 572 CG1 ILE A 133 77.064 8.145 -19.255 1.00 0.00 C ATOM 573 CG2 ILE A 133 75.241 9.215 -17.926 1.00 0.00 C ATOM 574 CD1 ILE A 133 77.433 9.490 -19.871 1.00 0.00 C ATOM 0 H ILE A 133 76.599 9.049 -15.103 1.00 0.00 H new ATOM 0 HA ILE A 133 78.596 8.853 -17.351 1.00 0.00 H new ATOM 0 HB ILE A 133 76.277 7.416 -17.382 1.00 0.00 H new ATOM 0 HG12 ILE A 133 77.938 7.495 -19.220 1.00 0.00 H new ATOM 0 HG13 ILE A 133 76.318 7.642 -19.870 1.00 0.00 H new ATOM 0 HG21 ILE A 133 74.499 8.696 -18.533 1.00 0.00 H new ATOM 0 HG22 ILE A 133 74.845 9.369 -16.922 1.00 0.00 H new ATOM 0 HG23 ILE A 133 75.469 10.180 -18.378 1.00 0.00 H new ATOM 0 HD11 ILE A 133 77.823 9.335 -20.877 1.00 0.00 H new ATOM 0 HD12 ILE A 133 76.547 10.124 -19.919 1.00 0.00 H new ATOM 0 HD13 ILE A 133 78.193 9.974 -19.258 1.00 0.00 H new ATOM 586 N THR A 134 76.404 11.135 -16.486 1.00 0.00 N ATOM 587 CA THR A 134 76.202 12.611 -16.529 1.00 0.00 C ATOM 588 C THR A 134 76.627 13.251 -15.205 1.00 0.00 C ATOM 589 O THR A 134 76.704 14.459 -15.085 1.00 0.00 O ATOM 590 CB THR A 134 74.701 12.798 -16.756 1.00 0.00 C ATOM 591 OG1 THR A 134 73.996 11.710 -16.175 1.00 0.00 O ATOM 592 CG2 THR A 134 74.414 12.850 -18.256 1.00 0.00 C ATOM 0 H THR A 134 75.685 10.613 -15.985 1.00 0.00 H new ATOM 0 HA THR A 134 76.798 13.083 -17.310 1.00 0.00 H new ATOM 0 HB THR A 134 74.377 13.730 -16.293 1.00 0.00 H new ATOM 0 HG1 THR A 134 73.034 11.830 -16.318 1.00 0.00 H new ATOM 0 HG21 THR A 134 73.344 12.983 -18.417 1.00 0.00 H new ATOM 0 HG22 THR A 134 74.955 13.685 -18.701 1.00 0.00 H new ATOM 0 HG23 THR A 134 74.738 11.919 -18.721 1.00 0.00 H new ATOM 600 N GLY A 135 76.900 12.456 -14.208 1.00 0.00 N ATOM 601 CA GLY A 135 77.315 13.025 -12.894 1.00 0.00 C ATOM 602 C GLY A 135 76.077 13.467 -12.111 1.00 0.00 C ATOM 603 O GLY A 135 76.174 13.952 -11.001 1.00 0.00 O ATOM 0 H GLY A 135 76.854 11.438 -14.246 1.00 0.00 H new ATOM 0 HA2 GLY A 135 77.872 12.281 -12.324 1.00 0.00 H new ATOM 0 HA3 GLY A 135 77.982 13.873 -13.048 1.00 0.00 H new ATOM 607 N ARG A 136 74.912 13.304 -12.679 1.00 0.00 N ATOM 608 CA ARG A 136 73.669 13.717 -11.963 1.00 0.00 C ATOM 609 C ARG A 136 73.292 12.670 -10.913 1.00 0.00 C ATOM 610 O ARG A 136 74.020 11.727 -10.670 1.00 0.00 O ATOM 611 CB ARG A 136 72.592 13.796 -13.046 1.00 0.00 C ATOM 612 CG ARG A 136 72.744 15.100 -13.829 1.00 0.00 C ATOM 613 CD ARG A 136 71.884 16.186 -13.181 1.00 0.00 C ATOM 614 NE ARG A 136 70.942 16.619 -14.249 1.00 0.00 N ATOM 615 CZ ARG A 136 69.703 16.207 -14.234 1.00 0.00 C ATOM 616 NH1 ARG A 136 69.421 14.981 -14.582 1.00 0.00 N ATOM 617 NH2 ARG A 136 68.749 17.019 -13.870 1.00 0.00 N ATOM 0 H ARG A 136 74.767 12.904 -13.606 1.00 0.00 H new ATOM 0 HA ARG A 136 73.792 14.665 -11.440 1.00 0.00 H new ATOM 0 HB2 ARG A 136 72.677 12.944 -13.720 1.00 0.00 H new ATOM 0 HB3 ARG A 136 71.602 13.746 -12.592 1.00 0.00 H new ATOM 0 HG2 ARG A 136 73.789 15.409 -13.843 1.00 0.00 H new ATOM 0 HG3 ARG A 136 72.442 14.952 -14.866 1.00 0.00 H new ATOM 0 HD2 ARG A 136 71.348 15.800 -12.314 1.00 0.00 H new ATOM 0 HD3 ARG A 136 72.496 17.018 -12.833 1.00 0.00 H new ATOM 0 HE ARG A 136 71.264 17.238 -14.993 1.00 0.00 H new ATOM 0 HH11 ARG A 136 70.168 14.347 -14.865 1.00 0.00 H new ATOM 0 HH12 ARG A 136 68.454 14.657 -14.571 1.00 0.00 H new ATOM 0 HH21 ARG A 136 68.971 17.976 -13.597 1.00 0.00 H new ATOM 0 HH22 ARG A 136 67.781 16.696 -13.859 1.00 0.00 H new ATOM 631 N SER A 137 72.160 12.828 -10.287 1.00 0.00 N ATOM 632 CA SER A 137 71.735 11.839 -9.258 1.00 0.00 C ATOM 633 C SER A 137 70.880 10.737 -9.895 1.00 0.00 C ATOM 634 O SER A 137 69.865 11.003 -10.506 1.00 0.00 O ATOM 635 CB SER A 137 70.916 12.643 -8.252 1.00 0.00 C ATOM 636 OG SER A 137 71.534 13.907 -8.047 1.00 0.00 O ATOM 0 H SER A 137 71.511 13.599 -10.443 1.00 0.00 H new ATOM 0 HA SER A 137 72.584 11.343 -8.788 1.00 0.00 H new ATOM 0 HB2 SER A 137 69.899 12.778 -8.619 1.00 0.00 H new ATOM 0 HB3 SER A 137 70.845 12.102 -7.308 1.00 0.00 H new ATOM 0 HG SER A 137 71.459 14.159 -7.103 1.00 0.00 H new ATOM 642 N ARG A 138 71.274 9.503 -9.743 1.00 0.00 N ATOM 643 CA ARG A 138 70.476 8.385 -10.321 1.00 0.00 C ATOM 644 C ARG A 138 69.436 7.938 -9.293 1.00 0.00 C ATOM 645 O ARG A 138 68.375 7.453 -9.632 1.00 0.00 O ATOM 646 CB ARG A 138 71.488 7.272 -10.599 1.00 0.00 C ATOM 647 CG ARG A 138 71.002 6.417 -11.774 1.00 0.00 C ATOM 648 CD ARG A 138 69.674 5.749 -11.408 1.00 0.00 C ATOM 649 NE ARG A 138 68.637 6.524 -12.143 1.00 0.00 N ATOM 650 CZ ARG A 138 67.412 6.078 -12.209 1.00 0.00 C ATOM 651 NH1 ARG A 138 67.153 4.969 -12.847 1.00 0.00 N ATOM 652 NH2 ARG A 138 66.445 6.742 -11.637 1.00 0.00 N ATOM 0 H ARG A 138 72.116 9.220 -9.242 1.00 0.00 H new ATOM 0 HA ARG A 138 69.942 8.664 -11.229 1.00 0.00 H new ATOM 0 HB2 ARG A 138 72.463 7.702 -10.828 1.00 0.00 H new ATOM 0 HB3 ARG A 138 71.614 6.651 -9.712 1.00 0.00 H new ATOM 0 HG2 ARG A 138 70.876 7.038 -12.661 1.00 0.00 H new ATOM 0 HG3 ARG A 138 71.747 5.659 -12.018 1.00 0.00 H new ATOM 0 HD2 ARG A 138 69.666 4.700 -11.703 1.00 0.00 H new ATOM 0 HD3 ARG A 138 69.500 5.779 -10.332 1.00 0.00 H new ATOM 0 HE ARG A 138 68.884 7.404 -12.595 1.00 0.00 H new ATOM 0 HH11 ARG A 138 67.908 4.450 -13.295 1.00 0.00 H new ATOM 0 HH12 ARG A 138 66.195 4.622 -12.898 1.00 0.00 H new ATOM 0 HH21 ARG A 138 66.647 7.609 -11.139 1.00 0.00 H new ATOM 0 HH22 ARG A 138 65.488 6.394 -11.688 1.00 0.00 H new ATOM 666 N GLY A 139 69.725 8.136 -8.035 1.00 0.00 N ATOM 667 CA GLY A 139 68.749 7.766 -6.972 1.00 0.00 C ATOM 668 C GLY A 139 68.961 6.329 -6.484 1.00 0.00 C ATOM 669 O GLY A 139 68.022 5.563 -6.390 1.00 0.00 O ATOM 0 H GLY A 139 70.599 8.540 -7.697 1.00 0.00 H new ATOM 0 HA2 GLY A 139 68.847 8.454 -6.132 1.00 0.00 H new ATOM 0 HA3 GLY A 139 67.734 7.874 -7.356 1.00 0.00 H new ATOM 673 N PHE A 140 70.166 5.952 -6.142 1.00 0.00 N ATOM 674 CA PHE A 140 70.370 4.562 -5.631 1.00 0.00 C ATOM 675 C PHE A 140 71.765 4.419 -5.023 1.00 0.00 C ATOM 676 O PHE A 140 72.719 4.986 -5.509 1.00 0.00 O ATOM 677 CB PHE A 140 70.174 3.641 -6.843 1.00 0.00 C ATOM 678 CG PHE A 140 71.468 3.473 -7.609 1.00 0.00 C ATOM 679 CD1 PHE A 140 72.380 2.481 -7.232 1.00 0.00 C ATOM 680 CD2 PHE A 140 71.746 4.300 -8.702 1.00 0.00 C ATOM 681 CE1 PHE A 140 73.571 2.316 -7.947 1.00 0.00 C ATOM 682 CE2 PHE A 140 72.937 4.135 -9.420 1.00 0.00 C ATOM 683 CZ PHE A 140 73.851 3.143 -9.042 1.00 0.00 C ATOM 0 H PHE A 140 71.003 6.533 -6.192 1.00 0.00 H new ATOM 0 HA PHE A 140 69.668 4.306 -4.837 1.00 0.00 H new ATOM 0 HB2 PHE A 140 69.815 2.667 -6.510 1.00 0.00 H new ATOM 0 HB3 PHE A 140 69.409 4.056 -7.500 1.00 0.00 H new ATOM 0 HD1 PHE A 140 72.164 1.842 -6.388 1.00 0.00 H new ATOM 0 HD2 PHE A 140 71.042 5.066 -8.992 1.00 0.00 H new ATOM 0 HE1 PHE A 140 74.275 1.551 -7.655 1.00 0.00 H new ATOM 0 HE2 PHE A 140 73.151 4.773 -10.265 1.00 0.00 H new ATOM 0 HZ PHE A 140 74.770 3.016 -9.594 1.00 0.00 H new ATOM 693 N GLY A 141 71.888 3.677 -3.952 1.00 0.00 N ATOM 694 CA GLY A 141 73.228 3.521 -3.318 1.00 0.00 C ATOM 695 C GLY A 141 73.334 2.170 -2.619 1.00 0.00 C ATOM 696 O GLY A 141 72.544 1.274 -2.843 1.00 0.00 O ATOM 0 H GLY A 141 71.126 3.178 -3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 141 74.007 3.607 -4.075 1.00 0.00 H new ATOM 0 HA3 GLY A 141 73.392 4.323 -2.599 1.00 0.00 H new ATOM 700 N PHE A 142 74.325 2.011 -1.782 1.00 0.00 N ATOM 701 CA PHE A 142 74.504 0.711 -1.080 1.00 0.00 C ATOM 702 C PHE A 142 74.595 0.907 0.431 1.00 0.00 C ATOM 703 O PHE A 142 74.961 1.957 0.918 1.00 0.00 O ATOM 704 CB PHE A 142 75.835 0.168 -1.595 1.00 0.00 C ATOM 705 CG PHE A 142 75.672 -0.343 -3.000 1.00 0.00 C ATOM 706 CD1 PHE A 142 75.361 0.544 -4.036 1.00 0.00 C ATOM 707 CD2 PHE A 142 75.835 -1.706 -3.265 1.00 0.00 C ATOM 708 CE1 PHE A 142 75.210 0.068 -5.342 1.00 0.00 C ATOM 709 CE2 PHE A 142 75.685 -2.183 -4.574 1.00 0.00 C ATOM 710 CZ PHE A 142 75.371 -1.295 -5.612 1.00 0.00 C ATOM 0 H PHE A 142 75.017 2.726 -1.556 1.00 0.00 H new ATOM 0 HA PHE A 142 73.664 0.042 -1.267 1.00 0.00 H new ATOM 0 HB2 PHE A 142 76.592 0.952 -1.570 1.00 0.00 H new ATOM 0 HB3 PHE A 142 76.186 -0.634 -0.946 1.00 0.00 H new ATOM 0 HD1 PHE A 142 75.238 1.596 -3.827 1.00 0.00 H new ATOM 0 HD2 PHE A 142 76.076 -2.389 -2.464 1.00 0.00 H new ATOM 0 HE1 PHE A 142 74.969 0.752 -6.142 1.00 0.00 H new ATOM 0 HE2 PHE A 142 75.811 -3.235 -4.783 1.00 0.00 H new ATOM 0 HZ PHE A 142 75.253 -1.663 -6.620 1.00 0.00 H new ATOM 720 N VAL A 143 74.298 -0.122 1.167 1.00 0.00 N ATOM 721 CA VAL A 143 74.399 -0.050 2.648 1.00 0.00 C ATOM 722 C VAL A 143 75.193 -1.261 3.121 1.00 0.00 C ATOM 723 O VAL A 143 74.981 -2.368 2.670 1.00 0.00 O ATOM 724 CB VAL A 143 72.956 -0.084 3.163 1.00 0.00 C ATOM 725 CG1 VAL A 143 72.923 -0.639 4.591 1.00 0.00 C ATOM 726 CG2 VAL A 143 72.392 1.337 3.164 1.00 0.00 C ATOM 0 H VAL A 143 73.986 -1.022 0.802 1.00 0.00 H new ATOM 0 HA VAL A 143 74.904 0.845 3.010 1.00 0.00 H new ATOM 0 HB VAL A 143 72.357 -0.724 2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 143 71.894 -0.660 4.950 1.00 0.00 H new ATOM 0 HG12 VAL A 143 73.330 -1.650 4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 143 73.521 -0.002 5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 143 71.365 1.321 3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 143 72.998 1.969 3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 143 72.410 1.736 2.150 1.00 0.00 H new ATOM 736 N LEU A 144 76.126 -1.063 4.001 1.00 0.00 N ATOM 737 CA LEU A 144 76.943 -2.209 4.462 1.00 0.00 C ATOM 738 C LEU A 144 76.826 -2.369 5.975 1.00 0.00 C ATOM 739 O LEU A 144 77.585 -1.801 6.736 1.00 0.00 O ATOM 740 CB LEU A 144 78.362 -1.843 4.040 1.00 0.00 C ATOM 741 CG LEU A 144 78.697 -2.557 2.727 1.00 0.00 C ATOM 742 CD1 LEU A 144 77.781 -2.047 1.608 1.00 0.00 C ATOM 743 CD2 LEU A 144 80.155 -2.282 2.353 1.00 0.00 C ATOM 0 H LEU A 144 76.357 -0.162 4.419 1.00 0.00 H new ATOM 0 HA LEU A 144 76.626 -3.162 4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 144 78.450 -0.764 3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 144 79.071 -2.132 4.816 1.00 0.00 H new ATOM 0 HG LEU A 144 78.547 -3.629 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 144 78.024 -2.559 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 144 76.742 -2.245 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 144 77.925 -0.974 1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 144 80.393 -2.790 1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 144 80.303 -1.209 2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 144 80.809 -2.650 3.143 1.00 0.00 H new ATOM 755 N PHE A 145 75.872 -3.142 6.410 1.00 0.00 N ATOM 756 CA PHE A 145 75.689 -3.353 7.871 1.00 0.00 C ATOM 757 C PHE A 145 76.906 -4.066 8.451 1.00 0.00 C ATOM 758 O PHE A 145 77.748 -4.570 7.735 1.00 0.00 O ATOM 759 CB PHE A 145 74.447 -4.234 7.991 1.00 0.00 C ATOM 760 CG PHE A 145 73.207 -3.377 7.902 1.00 0.00 C ATOM 761 CD1 PHE A 145 72.889 -2.496 8.941 1.00 0.00 C ATOM 762 CD2 PHE A 145 72.375 -3.464 6.779 1.00 0.00 C ATOM 763 CE1 PHE A 145 71.738 -1.703 8.859 1.00 0.00 C ATOM 764 CE2 PHE A 145 71.225 -2.671 6.698 1.00 0.00 C ATOM 765 CZ PHE A 145 70.907 -1.789 7.737 1.00 0.00 C ATOM 0 H PHE A 145 75.209 -3.638 5.814 1.00 0.00 H new ATOM 0 HA PHE A 145 75.577 -2.415 8.415 1.00 0.00 H new ATOM 0 HB2 PHE A 145 74.442 -4.982 7.198 1.00 0.00 H new ATOM 0 HB3 PHE A 145 74.461 -4.773 8.938 1.00 0.00 H new ATOM 0 HD1 PHE A 145 73.531 -2.427 9.806 1.00 0.00 H new ATOM 0 HD2 PHE A 145 72.621 -4.143 5.976 1.00 0.00 H new ATOM 0 HE1 PHE A 145 71.492 -1.025 9.662 1.00 0.00 H new ATOM 0 HE2 PHE A 145 70.582 -2.740 5.833 1.00 0.00 H new ATOM 0 HZ PHE A 145 70.021 -1.175 7.673 1.00 0.00 H new ATOM 775 N LYS A 146 77.007 -4.107 9.747 1.00 0.00 N ATOM 776 CA LYS A 146 78.174 -4.784 10.379 1.00 0.00 C ATOM 777 C LYS A 146 77.775 -6.161 10.919 1.00 0.00 C ATOM 778 O LYS A 146 78.614 -6.923 11.359 1.00 0.00 O ATOM 779 CB LYS A 146 78.592 -3.860 11.523 1.00 0.00 C ATOM 780 CG LYS A 146 79.569 -4.596 12.442 1.00 0.00 C ATOM 781 CD LYS A 146 80.562 -3.596 13.040 1.00 0.00 C ATOM 782 CE LYS A 146 81.711 -4.356 13.707 1.00 0.00 C ATOM 783 NZ LYS A 146 82.951 -3.788 13.108 1.00 0.00 N ATOM 0 H LYS A 146 76.334 -3.702 10.398 1.00 0.00 H new ATOM 0 HA LYS A 146 78.983 -4.952 9.668 1.00 0.00 H new ATOM 0 HB2 LYS A 146 79.059 -2.959 11.125 1.00 0.00 H new ATOM 0 HB3 LYS A 146 77.715 -3.542 12.087 1.00 0.00 H new ATOM 0 HG2 LYS A 146 79.024 -5.103 13.238 1.00 0.00 H new ATOM 0 HG3 LYS A 146 80.103 -5.364 11.882 1.00 0.00 H new ATOM 0 HD2 LYS A 146 80.949 -2.941 12.260 1.00 0.00 H new ATOM 0 HD3 LYS A 146 80.060 -2.961 13.770 1.00 0.00 H new ATOM 0 HE2 LYS A 146 81.698 -4.221 14.788 1.00 0.00 H new ATOM 0 HE3 LYS A 146 81.637 -5.427 13.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 83.782 -4.261 13.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 82.939 -3.938 12.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 82.998 -2.769 13.309 1.00 0.00 H new ATOM 797 N GLU A 147 76.510 -6.491 10.905 1.00 0.00 N ATOM 798 CA GLU A 147 76.097 -7.821 11.435 1.00 0.00 C ATOM 799 C GLU A 147 74.983 -8.432 10.575 1.00 0.00 C ATOM 800 O GLU A 147 74.313 -7.751 9.824 1.00 0.00 O ATOM 801 CB GLU A 147 75.593 -7.531 12.849 1.00 0.00 C ATOM 802 CG GLU A 147 75.856 -8.741 13.746 1.00 0.00 C ATOM 803 CD GLU A 147 74.526 -9.387 14.131 1.00 0.00 C ATOM 804 OE1 GLU A 147 73.521 -9.020 13.545 1.00 0.00 O ATOM 805 OE2 GLU A 147 74.533 -10.238 15.005 1.00 0.00 O ATOM 0 H GLU A 147 75.754 -5.904 10.554 1.00 0.00 H new ATOM 0 HA GLU A 147 76.916 -8.540 11.426 1.00 0.00 H new ATOM 0 HB2 GLU A 147 76.095 -6.651 13.252 1.00 0.00 H new ATOM 0 HB3 GLU A 147 74.526 -7.307 12.827 1.00 0.00 H new ATOM 0 HG2 GLU A 147 76.486 -9.463 13.226 1.00 0.00 H new ATOM 0 HG3 GLU A 147 76.396 -8.433 14.641 1.00 0.00 H new ATOM 812 N SER A 148 74.782 -9.717 10.684 1.00 0.00 N ATOM 813 CA SER A 148 73.713 -10.374 9.882 1.00 0.00 C ATOM 814 C SER A 148 72.345 -10.048 10.483 1.00 0.00 C ATOM 815 O SER A 148 71.403 -9.742 9.778 1.00 0.00 O ATOM 816 CB SER A 148 74.003 -11.871 9.979 1.00 0.00 C ATOM 817 OG SER A 148 73.356 -12.546 8.909 1.00 0.00 O ATOM 0 H SER A 148 75.312 -10.340 11.294 1.00 0.00 H new ATOM 0 HA SER A 148 73.699 -10.035 8.846 1.00 0.00 H new ATOM 0 HB2 SER A 148 75.078 -12.048 9.939 1.00 0.00 H new ATOM 0 HB3 SER A 148 73.652 -12.260 10.935 1.00 0.00 H new ATOM 0 HG SER A 148 73.542 -13.506 8.968 1.00 0.00 H new ATOM 823 N GLU A 149 72.231 -10.102 11.782 1.00 0.00 N ATOM 824 CA GLU A 149 70.926 -9.784 12.425 1.00 0.00 C ATOM 825 C GLU A 149 70.523 -8.345 12.091 1.00 0.00 C ATOM 826 O GLU A 149 69.356 -8.021 12.005 1.00 0.00 O ATOM 827 CB GLU A 149 71.162 -9.947 13.926 1.00 0.00 C ATOM 828 CG GLU A 149 69.934 -10.599 14.566 1.00 0.00 C ATOM 829 CD GLU A 149 69.704 -10.004 15.956 1.00 0.00 C ATOM 830 OE1 GLU A 149 70.546 -9.240 16.398 1.00 0.00 O ATOM 831 OE2 GLU A 149 68.689 -10.321 16.554 1.00 0.00 O ATOM 0 H GLU A 149 72.983 -10.352 12.424 1.00 0.00 H new ATOM 0 HA GLU A 149 70.122 -10.433 12.077 1.00 0.00 H new ATOM 0 HB2 GLU A 149 72.046 -10.560 14.102 1.00 0.00 H new ATOM 0 HB3 GLU A 149 71.351 -8.976 14.383 1.00 0.00 H new ATOM 0 HG2 GLU A 149 69.056 -10.438 13.940 1.00 0.00 H new ATOM 0 HG3 GLU A 149 70.079 -11.677 14.640 1.00 0.00 H new ATOM 838 N SER A 150 71.480 -7.477 11.892 1.00 0.00 N ATOM 839 CA SER A 150 71.132 -6.068 11.551 1.00 0.00 C ATOM 840 C SER A 150 70.584 -6.010 10.121 1.00 0.00 C ATOM 841 O SER A 150 69.628 -5.313 9.836 1.00 0.00 O ATOM 842 CB SER A 150 72.438 -5.277 11.670 1.00 0.00 C ATOM 843 OG SER A 150 73.495 -5.993 11.046 1.00 0.00 O ATOM 0 H SER A 150 72.478 -7.681 11.950 1.00 0.00 H new ATOM 0 HA SER A 150 70.366 -5.657 12.209 1.00 0.00 H new ATOM 0 HB2 SER A 150 72.325 -4.299 11.203 1.00 0.00 H new ATOM 0 HB3 SER A 150 72.674 -5.104 12.720 1.00 0.00 H new ATOM 0 HG SER A 150 73.130 -6.772 10.576 1.00 0.00 H new ATOM 849 N VAL A 151 71.175 -6.750 9.220 1.00 0.00 N ATOM 850 CA VAL A 151 70.681 -6.744 7.815 1.00 0.00 C ATOM 851 C VAL A 151 69.348 -7.493 7.721 1.00 0.00 C ATOM 852 O VAL A 151 68.437 -7.075 7.034 1.00 0.00 O ATOM 853 CB VAL A 151 71.759 -7.463 7.007 1.00 0.00 C ATOM 854 CG1 VAL A 151 71.516 -7.232 5.513 1.00 0.00 C ATOM 855 CG2 VAL A 151 73.133 -6.909 7.386 1.00 0.00 C ATOM 0 H VAL A 151 71.976 -7.356 9.397 1.00 0.00 H new ATOM 0 HA VAL A 151 70.505 -5.734 7.445 1.00 0.00 H new ATOM 0 HB VAL A 151 71.722 -8.531 7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 151 72.285 -7.745 4.936 1.00 0.00 H new ATOM 0 HG12 VAL A 151 70.536 -7.622 5.239 1.00 0.00 H new ATOM 0 HG13 VAL A 151 71.554 -6.164 5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 151 73.903 -7.421 6.810 1.00 0.00 H new ATOM 0 HG22 VAL A 151 73.167 -5.841 7.169 1.00 0.00 H new ATOM 0 HG23 VAL A 151 73.309 -7.069 8.450 1.00 0.00 H new ATOM 865 N ASP A 152 69.221 -8.598 8.408 1.00 0.00 N ATOM 866 CA ASP A 152 67.941 -9.361 8.353 1.00 0.00 C ATOM 867 C ASP A 152 66.829 -8.548 9.030 1.00 0.00 C ATOM 868 O ASP A 152 65.660 -8.714 8.742 1.00 0.00 O ATOM 869 CB ASP A 152 68.228 -10.683 9.091 1.00 0.00 C ATOM 870 CG ASP A 152 67.688 -10.646 10.526 1.00 0.00 C ATOM 871 OD1 ASP A 152 67.932 -9.664 11.205 1.00 0.00 O ATOM 872 OD2 ASP A 152 67.035 -11.599 10.918 1.00 0.00 O ATOM 0 H ASP A 152 69.945 -9.003 9.002 1.00 0.00 H new ATOM 0 HA ASP A 152 67.601 -9.556 7.336 1.00 0.00 H new ATOM 0 HB2 ASP A 152 67.772 -11.511 8.549 1.00 0.00 H new ATOM 0 HB3 ASP A 152 69.302 -10.867 9.109 1.00 0.00 H new ATOM 877 N LYS A 153 67.191 -7.666 9.921 1.00 0.00 N ATOM 878 CA LYS A 153 66.162 -6.835 10.608 1.00 0.00 C ATOM 879 C LYS A 153 65.638 -5.765 9.648 1.00 0.00 C ATOM 880 O LYS A 153 64.459 -5.480 9.603 1.00 0.00 O ATOM 881 CB LYS A 153 66.893 -6.191 11.786 1.00 0.00 C ATOM 882 CG LYS A 153 65.871 -5.603 12.761 1.00 0.00 C ATOM 883 CD LYS A 153 66.113 -6.173 14.160 1.00 0.00 C ATOM 884 CE LYS A 153 64.772 -6.545 14.799 1.00 0.00 C ATOM 885 NZ LYS A 153 64.121 -5.245 15.134 1.00 0.00 N ATOM 0 H LYS A 153 68.154 -7.485 10.203 1.00 0.00 H new ATOM 0 HA LYS A 153 65.304 -7.420 10.938 1.00 0.00 H new ATOM 0 HB2 LYS A 153 67.511 -6.932 12.293 1.00 0.00 H new ATOM 0 HB3 LYS A 153 67.562 -5.409 11.429 1.00 0.00 H new ATOM 0 HG2 LYS A 153 65.954 -4.516 12.780 1.00 0.00 H new ATOM 0 HG3 LYS A 153 64.860 -5.839 12.430 1.00 0.00 H new ATOM 0 HD2 LYS A 153 66.756 -7.051 14.100 1.00 0.00 H new ATOM 0 HD3 LYS A 153 66.632 -5.440 14.778 1.00 0.00 H new ATOM 0 HE2 LYS A 153 64.157 -7.127 14.112 1.00 0.00 H new ATOM 0 HE3 LYS A 153 64.917 -7.154 15.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 63.526 -5.362 15.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 64.852 -4.529 15.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 63.531 -4.936 14.335 1.00 0.00 H new ATOM 899 N VAL A 154 66.505 -5.172 8.876 1.00 0.00 N ATOM 900 CA VAL A 154 66.051 -4.126 7.916 1.00 0.00 C ATOM 901 C VAL A 154 65.446 -4.783 6.673 1.00 0.00 C ATOM 902 O VAL A 154 64.740 -4.153 5.906 1.00 0.00 O ATOM 903 CB VAL A 154 67.319 -3.353 7.555 1.00 0.00 C ATOM 904 CG1 VAL A 154 68.262 -4.267 6.772 1.00 0.00 C ATOM 905 CG2 VAL A 154 66.954 -2.143 6.694 1.00 0.00 C ATOM 0 H VAL A 154 67.506 -5.365 8.868 1.00 0.00 H new ATOM 0 HA VAL A 154 65.283 -3.476 8.336 1.00 0.00 H new ATOM 0 HB VAL A 154 67.810 -3.013 8.467 1.00 0.00 H new ATOM 0 HG11 VAL A 154 69.168 -3.719 6.513 1.00 0.00 H new ATOM 0 HG12 VAL A 154 68.523 -5.131 7.384 1.00 0.00 H new ATOM 0 HG13 VAL A 154 67.768 -4.604 5.860 1.00 0.00 H new ATOM 0 HG21 VAL A 154 67.859 -1.593 6.437 1.00 0.00 H new ATOM 0 HG22 VAL A 154 66.464 -2.481 5.781 1.00 0.00 H new ATOM 0 HG23 VAL A 154 66.279 -1.492 7.249 1.00 0.00 H new ATOM 915 N MET A 155 65.720 -6.043 6.469 1.00 0.00 N ATOM 916 CA MET A 155 65.166 -6.746 5.276 1.00 0.00 C ATOM 917 C MET A 155 63.793 -7.342 5.598 1.00 0.00 C ATOM 918 O MET A 155 62.933 -7.432 4.745 1.00 0.00 O ATOM 919 CB MET A 155 66.174 -7.854 4.968 1.00 0.00 C ATOM 920 CG MET A 155 66.120 -8.197 3.476 1.00 0.00 C ATOM 921 SD MET A 155 67.557 -7.479 2.642 1.00 0.00 S ATOM 922 CE MET A 155 68.392 -9.035 2.246 1.00 0.00 C ATOM 0 H MET A 155 66.304 -6.617 7.077 1.00 0.00 H new ATOM 0 HA MET A 155 65.026 -6.074 4.430 1.00 0.00 H new ATOM 0 HB2 MET A 155 67.179 -7.532 5.241 1.00 0.00 H new ATOM 0 HB3 MET A 155 65.950 -8.739 5.563 1.00 0.00 H new ATOM 0 HG2 MET A 155 66.110 -9.278 3.340 1.00 0.00 H new ATOM 0 HG3 MET A 155 65.200 -7.812 3.036 1.00 0.00 H new ATOM 0 HE1 MET A 155 69.322 -8.825 1.718 1.00 0.00 H new ATOM 0 HE2 MET A 155 68.612 -9.575 3.167 1.00 0.00 H new ATOM 0 HE3 MET A 155 67.746 -9.644 1.614 1.00 0.00 H new ATOM 932 N ASP A 156 63.577 -7.754 6.819 1.00 0.00 N ATOM 933 CA ASP A 156 62.255 -8.341 7.173 1.00 0.00 C ATOM 934 C ASP A 156 61.135 -7.389 6.740 1.00 0.00 C ATOM 935 O ASP A 156 60.055 -7.809 6.377 1.00 0.00 O ATOM 936 CB ASP A 156 62.286 -8.529 8.699 1.00 0.00 C ATOM 937 CG ASP A 156 61.807 -7.259 9.414 1.00 0.00 C ATOM 938 OD1 ASP A 156 60.672 -6.868 9.194 1.00 0.00 O ATOM 939 OD2 ASP A 156 62.580 -6.706 10.177 1.00 0.00 O ATOM 0 H ASP A 156 64.254 -7.710 7.580 1.00 0.00 H new ATOM 0 HA ASP A 156 62.067 -9.290 6.671 1.00 0.00 H new ATOM 0 HB2 ASP A 156 61.652 -9.370 8.979 1.00 0.00 H new ATOM 0 HB3 ASP A 156 63.299 -8.772 9.020 1.00 0.00 H new ATOM 944 N GLN A 157 61.389 -6.108 6.773 1.00 0.00 N ATOM 945 CA GLN A 157 60.342 -5.130 6.360 1.00 0.00 C ATOM 946 C GLN A 157 60.923 -4.134 5.352 1.00 0.00 C ATOM 947 O GLN A 157 61.550 -3.162 5.721 1.00 0.00 O ATOM 948 CB GLN A 157 59.936 -4.415 7.648 1.00 0.00 C ATOM 949 CG GLN A 157 58.647 -5.033 8.193 1.00 0.00 C ATOM 950 CD GLN A 157 57.674 -3.921 8.589 1.00 0.00 C ATOM 951 OE1 GLN A 157 57.952 -3.146 9.483 1.00 0.00 O ATOM 952 NE2 GLN A 157 56.536 -3.810 7.960 1.00 0.00 N ATOM 0 H GLN A 157 62.275 -5.697 7.068 1.00 0.00 H new ATOM 0 HA GLN A 157 59.491 -5.612 5.879 1.00 0.00 H new ATOM 0 HB2 GLN A 157 60.732 -4.497 8.388 1.00 0.00 H new ATOM 0 HB3 GLN A 157 59.789 -3.352 7.455 1.00 0.00 H new ATOM 0 HG2 GLN A 157 58.193 -5.676 7.439 1.00 0.00 H new ATOM 0 HG3 GLN A 157 58.869 -5.661 9.056 1.00 0.00 H new ATOM 0 HE21 GLN A 157 56.302 -4.460 7.210 1.00 0.00 H new ATOM 0 HE22 GLN A 157 55.880 -3.073 8.219 1.00 0.00 H new ATOM 961 N LYS A 158 60.723 -4.366 4.084 1.00 0.00 N ATOM 962 CA LYS A 158 61.271 -3.426 3.063 1.00 0.00 C ATOM 963 C LYS A 158 60.261 -2.327 2.762 1.00 0.00 C ATOM 964 O LYS A 158 60.299 -1.697 1.723 1.00 0.00 O ATOM 965 CB LYS A 158 61.540 -4.284 1.824 1.00 0.00 C ATOM 966 CG LYS A 158 60.214 -4.780 1.244 1.00 0.00 C ATOM 967 CD LYS A 158 60.476 -5.953 0.297 1.00 0.00 C ATOM 968 CE LYS A 158 60.285 -5.497 -1.152 1.00 0.00 C ATOM 969 NZ LYS A 158 59.062 -6.209 -1.619 1.00 0.00 N ATOM 0 H LYS A 158 60.206 -5.162 3.711 1.00 0.00 H new ATOM 0 HA LYS A 158 62.178 -2.929 3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 158 62.080 -3.702 1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 158 62.173 -5.132 2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 158 59.547 -5.091 2.048 1.00 0.00 H new ATOM 0 HG3 LYS A 158 59.714 -3.972 0.709 1.00 0.00 H new ATOM 0 HD2 LYS A 158 61.489 -6.329 0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 158 59.796 -6.774 0.523 1.00 0.00 H new ATOM 0 HE2 LYS A 158 60.160 -4.416 -1.213 1.00 0.00 H new ATOM 0 HE3 LYS A 158 61.150 -5.753 -1.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 58.864 -5.948 -2.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 59.213 -7.236 -1.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 58.254 -5.940 -1.022 1.00 0.00 H new ATOM 983 N GLU A 159 59.391 -2.056 3.687 1.00 0.00 N ATOM 984 CA GLU A 159 58.417 -0.958 3.481 1.00 0.00 C ATOM 985 C GLU A 159 59.083 0.309 3.978 1.00 0.00 C ATOM 986 O GLU A 159 58.663 0.931 4.933 1.00 0.00 O ATOM 987 CB GLU A 159 57.227 -1.301 4.351 1.00 0.00 C ATOM 988 CG GLU A 159 56.102 -1.877 3.490 1.00 0.00 C ATOM 989 CD GLU A 159 54.786 -1.832 4.270 1.00 0.00 C ATOM 990 OE1 GLU A 159 54.824 -2.048 5.470 1.00 0.00 O ATOM 991 OE2 GLU A 159 53.764 -1.580 3.653 1.00 0.00 O ATOM 0 H GLU A 159 59.312 -2.548 4.577 1.00 0.00 H new ATOM 0 HA GLU A 159 58.108 -0.827 2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 159 57.519 -2.023 5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 159 56.878 -0.410 4.873 1.00 0.00 H new ATOM 0 HG2 GLU A 159 56.009 -1.306 2.566 1.00 0.00 H new ATOM 0 HG3 GLU A 159 56.335 -2.904 3.208 1.00 0.00 H new ATOM 998 N HIS A 160 60.157 0.652 3.350 1.00 0.00 N ATOM 999 CA HIS A 160 60.935 1.839 3.774 1.00 0.00 C ATOM 1000 C HIS A 160 60.398 3.110 3.112 1.00 0.00 C ATOM 1001 O HIS A 160 59.472 3.072 2.326 1.00 0.00 O ATOM 1002 CB HIS A 160 62.351 1.563 3.281 1.00 0.00 C ATOM 1003 CG HIS A 160 62.902 0.346 3.970 1.00 0.00 C ATOM 1004 ND1 HIS A 160 64.270 0.192 4.220 1.00 0.00 N ATOM 1005 CD2 HIS A 160 62.297 -0.789 4.468 1.00 0.00 C ATOM 1006 CE1 HIS A 160 64.441 -0.992 4.839 1.00 0.00 C ATOM 1007 NE2 HIS A 160 63.279 -1.603 5.001 1.00 0.00 N ATOM 0 H HIS A 160 60.539 0.154 2.546 1.00 0.00 H new ATOM 0 HA HIS A 160 60.881 1.996 4.851 1.00 0.00 H new ATOM 0 HB2 HIS A 160 62.347 1.410 2.202 1.00 0.00 H new ATOM 0 HB3 HIS A 160 62.989 2.424 3.479 1.00 0.00 H new ATOM 0 HD2 HIS A 160 61.239 -1.005 4.445 1.00 0.00 H new ATOM 0 HE1 HIS A 160 65.394 -1.387 5.158 1.00 0.00 H new ATOM 0 HE2 HIS A 160 63.134 -2.512 5.440 1.00 0.00 H new ATOM 1015 N LYS A 161 60.981 4.234 3.420 1.00 0.00 N ATOM 1016 CA LYS A 161 60.519 5.512 2.809 1.00 0.00 C ATOM 1017 C LYS A 161 61.438 6.657 3.243 1.00 0.00 C ATOM 1018 O LYS A 161 61.043 7.537 3.982 1.00 0.00 O ATOM 1019 CB LYS A 161 59.103 5.726 3.346 1.00 0.00 C ATOM 1020 CG LYS A 161 58.375 6.746 2.468 1.00 0.00 C ATOM 1021 CD LYS A 161 56.986 6.214 2.108 1.00 0.00 C ATOM 1022 CE LYS A 161 56.185 5.971 3.389 1.00 0.00 C ATOM 1023 NZ LYS A 161 54.994 5.186 2.956 1.00 0.00 N ATOM 0 H LYS A 161 61.761 4.324 4.071 1.00 0.00 H new ATOM 0 HA LYS A 161 60.535 5.481 1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 161 58.558 4.782 3.353 1.00 0.00 H new ATOM 0 HB3 LYS A 161 59.143 6.079 4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 161 58.286 7.696 2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 161 58.949 6.936 1.561 1.00 0.00 H new ATOM 0 HD2 LYS A 161 56.465 6.929 1.471 1.00 0.00 H new ATOM 0 HD3 LYS A 161 57.075 5.287 1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 161 56.773 5.422 4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 161 55.890 6.911 3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 54.395 4.980 3.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 54.449 5.736 2.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 55.305 4.293 2.523 1.00 0.00 H new ATOM 1037 N LEU A 162 62.662 6.652 2.787 1.00 0.00 N ATOM 1038 CA LEU A 162 63.603 7.743 3.173 1.00 0.00 C ATOM 1039 C LEU A 162 63.692 8.773 2.047 1.00 0.00 C ATOM 1040 O LEU A 162 63.471 8.463 0.892 1.00 0.00 O ATOM 1041 CB LEU A 162 64.956 7.057 3.397 1.00 0.00 C ATOM 1042 CG LEU A 162 65.436 6.405 2.098 1.00 0.00 C ATOM 1043 CD1 LEU A 162 66.497 7.291 1.443 1.00 0.00 C ATOM 1044 CD2 LEU A 162 66.044 5.035 2.413 1.00 0.00 C ATOM 0 H LEU A 162 63.050 5.942 2.166 1.00 0.00 H new ATOM 0 HA LEU A 162 63.277 8.275 4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 162 65.690 7.786 3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 162 64.866 6.304 4.179 1.00 0.00 H new ATOM 0 HG LEU A 162 64.592 6.285 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 162 66.839 6.826 0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 162 66.069 8.268 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 162 67.341 7.410 2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 162 66.387 4.568 1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 162 66.888 5.159 3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 162 65.291 4.402 2.882 1.00 0.00 H new ATOM 1056 N ASN A 163 63.996 10.000 2.370 1.00 0.00 N ATOM 1057 CA ASN A 163 64.076 11.044 1.311 1.00 0.00 C ATOM 1058 C ASN A 163 62.751 11.097 0.548 1.00 0.00 C ATOM 1059 O ASN A 163 62.715 11.362 -0.637 1.00 0.00 O ATOM 1060 CB ASN A 163 65.210 10.596 0.386 1.00 0.00 C ATOM 1061 CG ASN A 163 66.557 11.034 0.967 1.00 0.00 C ATOM 1062 OD1 ASN A 163 67.504 10.273 0.968 1.00 0.00 O ATOM 1063 ND2 ASN A 163 66.686 12.237 1.459 1.00 0.00 N ATOM 0 H ASN A 163 64.192 10.323 3.317 1.00 0.00 H new ATOM 0 HA ASN A 163 64.261 12.038 1.717 1.00 0.00 H new ATOM 0 HB2 ASN A 163 65.189 9.513 0.269 1.00 0.00 H new ATOM 0 HB3 ASN A 163 65.074 11.027 -0.606 1.00 0.00 H new ATOM 0 HD21 ASN A 163 67.582 12.537 1.844 1.00 0.00 H new ATOM 0 HD22 ASN A 163 65.891 12.876 1.458 1.00 0.00 H new ATOM 1070 N GLY A 164 61.663 10.835 1.219 1.00 0.00 N ATOM 1071 CA GLY A 164 60.342 10.860 0.535 1.00 0.00 C ATOM 1072 C GLY A 164 60.337 9.819 -0.585 1.00 0.00 C ATOM 1073 O GLY A 164 59.663 9.972 -1.584 1.00 0.00 O ATOM 0 H GLY A 164 61.633 10.605 2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 164 59.545 10.648 1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 164 60.149 11.852 0.127 1.00 0.00 H new ATOM 1077 N LYS A 165 61.088 8.762 -0.430 1.00 0.00 N ATOM 1078 CA LYS A 165 61.129 7.716 -1.492 1.00 0.00 C ATOM 1079 C LYS A 165 61.409 6.340 -0.880 1.00 0.00 C ATOM 1080 O LYS A 165 62.237 6.198 0.000 1.00 0.00 O ATOM 1081 CB LYS A 165 62.284 8.139 -2.401 1.00 0.00 C ATOM 1082 CG LYS A 165 61.981 7.737 -3.845 1.00 0.00 C ATOM 1083 CD LYS A 165 62.358 8.887 -4.780 1.00 0.00 C ATOM 1084 CE LYS A 165 61.233 9.115 -5.791 1.00 0.00 C ATOM 1085 NZ LYS A 165 61.456 10.495 -6.306 1.00 0.00 N ATOM 0 H LYS A 165 61.674 8.578 0.384 1.00 0.00 H new ATOM 0 HA LYS A 165 60.184 7.633 -2.029 1.00 0.00 H new ATOM 0 HB2 LYS A 165 62.433 9.217 -2.338 1.00 0.00 H new ATOM 0 HB3 LYS A 165 63.210 7.669 -2.070 1.00 0.00 H new ATOM 0 HG2 LYS A 165 62.540 6.840 -4.110 1.00 0.00 H new ATOM 0 HG3 LYS A 165 60.923 7.497 -3.953 1.00 0.00 H new ATOM 0 HD2 LYS A 165 62.533 9.796 -4.204 1.00 0.00 H new ATOM 0 HD3 LYS A 165 63.287 8.656 -5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 165 61.271 8.382 -6.596 1.00 0.00 H new ATOM 0 HE3 LYS A 165 60.254 9.022 -5.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 60.723 10.727 -7.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 61.408 11.172 -5.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 62.393 10.551 -6.754 1.00 0.00 H new ATOM 1099 N VAL A 166 60.736 5.322 -1.347 1.00 0.00 N ATOM 1100 CA VAL A 166 60.981 3.958 -0.798 1.00 0.00 C ATOM 1101 C VAL A 166 62.305 3.421 -1.345 1.00 0.00 C ATOM 1102 O VAL A 166 62.957 4.061 -2.146 1.00 0.00 O ATOM 1103 CB VAL A 166 59.807 3.109 -1.285 1.00 0.00 C ATOM 1104 CG1 VAL A 166 59.856 1.736 -0.611 1.00 0.00 C ATOM 1105 CG2 VAL A 166 58.491 3.801 -0.924 1.00 0.00 C ATOM 0 H VAL A 166 60.030 5.376 -2.082 1.00 0.00 H new ATOM 0 HA VAL A 166 61.051 3.949 0.290 1.00 0.00 H new ATOM 0 HB VAL A 166 59.872 2.989 -2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 166 59.019 1.130 -0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 166 60.793 1.240 -0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 166 59.791 1.859 0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 166 57.654 3.195 -1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 166 58.428 3.921 0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 166 58.452 4.781 -1.401 1.00 0.00 H new ATOM 1115 N ILE A 167 62.715 2.258 -0.922 1.00 0.00 N ATOM 1116 CA ILE A 167 64.007 1.704 -1.429 1.00 0.00 C ATOM 1117 C ILE A 167 63.881 0.219 -1.754 1.00 0.00 C ATOM 1118 O ILE A 167 62.824 -0.373 -1.659 1.00 0.00 O ATOM 1119 CB ILE A 167 65.029 1.888 -0.298 1.00 0.00 C ATOM 1120 CG1 ILE A 167 64.329 1.842 1.065 1.00 0.00 C ATOM 1121 CG2 ILE A 167 65.746 3.225 -0.464 1.00 0.00 C ATOM 1122 CD1 ILE A 167 65.379 1.830 2.176 1.00 0.00 C ATOM 0 H ILE A 167 62.218 1.669 -0.253 1.00 0.00 H new ATOM 0 HA ILE A 167 64.305 2.216 -2.344 1.00 0.00 H new ATOM 0 HB ILE A 167 65.757 1.078 -0.347 1.00 0.00 H new ATOM 0 HG12 ILE A 167 63.673 2.705 1.179 1.00 0.00 H new ATOM 0 HG13 ILE A 167 63.701 0.954 1.134 1.00 0.00 H new ATOM 0 HG21 ILE A 167 66.470 3.352 0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 167 66.263 3.244 -1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 167 65.018 4.035 -0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 167 64.882 1.797 3.146 1.00 0.00 H new ATOM 0 HD12 ILE A 167 66.016 0.953 2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 167 65.988 2.731 2.111 1.00 0.00 H new ATOM 1134 N ASP A 168 64.976 -0.381 -2.120 1.00 0.00 N ATOM 1135 CA ASP A 168 64.982 -1.832 -2.438 1.00 0.00 C ATOM 1136 C ASP A 168 66.271 -2.442 -1.889 1.00 0.00 C ATOM 1137 O ASP A 168 67.302 -2.403 -2.534 1.00 0.00 O ATOM 1138 CB ASP A 168 64.947 -1.915 -3.966 1.00 0.00 C ATOM 1139 CG ASP A 168 64.910 -3.383 -4.394 1.00 0.00 C ATOM 1140 OD1 ASP A 168 65.497 -4.197 -3.700 1.00 0.00 O ATOM 1141 OD2 ASP A 168 64.296 -3.669 -5.410 1.00 0.00 O ATOM 0 H ASP A 168 65.881 0.080 -2.214 1.00 0.00 H new ATOM 0 HA ASP A 168 64.141 -2.371 -2.001 1.00 0.00 H new ATOM 0 HB2 ASP A 168 64.072 -1.391 -4.350 1.00 0.00 H new ATOM 0 HB3 ASP A 168 65.824 -1.424 -4.388 1.00 0.00 H new ATOM 1146 N PRO A 169 66.168 -2.958 -0.694 1.00 0.00 N ATOM 1147 CA PRO A 169 67.338 -3.566 -0.019 1.00 0.00 C ATOM 1148 C PRO A 169 67.626 -4.956 -0.589 1.00 0.00 C ATOM 1149 O PRO A 169 66.835 -5.869 -0.457 1.00 0.00 O ATOM 1150 CB PRO A 169 66.901 -3.659 1.438 1.00 0.00 C ATOM 1151 CG PRO A 169 65.404 -3.708 1.401 1.00 0.00 C ATOM 1152 CD PRO A 169 64.958 -3.023 0.133 1.00 0.00 C ATOM 0 HA PRO A 169 68.254 -2.990 -0.151 1.00 0.00 H new ATOM 0 HB2 PRO A 169 67.312 -4.549 1.915 1.00 0.00 H new ATOM 0 HB3 PRO A 169 67.252 -2.800 2.009 1.00 0.00 H new ATOM 0 HG2 PRO A 169 65.054 -4.740 1.423 1.00 0.00 H new ATOM 0 HG3 PRO A 169 64.983 -3.210 2.274 1.00 0.00 H new ATOM 0 HD2 PRO A 169 64.167 -3.584 -0.364 1.00 0.00 H new ATOM 0 HD3 PRO A 169 64.563 -2.028 0.337 1.00 0.00 H new ATOM 1160 N LYS A 170 68.755 -5.123 -1.219 1.00 0.00 N ATOM 1161 CA LYS A 170 69.098 -6.453 -1.794 1.00 0.00 C ATOM 1162 C LYS A 170 70.430 -6.940 -1.242 1.00 0.00 C ATOM 1163 O LYS A 170 71.146 -6.211 -0.585 1.00 0.00 O ATOM 1164 CB LYS A 170 69.248 -6.226 -3.289 1.00 0.00 C ATOM 1165 CG LYS A 170 68.077 -6.869 -4.033 1.00 0.00 C ATOM 1166 CD LYS A 170 68.583 -7.497 -5.332 1.00 0.00 C ATOM 1167 CE LYS A 170 68.211 -8.981 -5.361 1.00 0.00 C ATOM 1168 NZ LYS A 170 66.838 -9.022 -5.938 1.00 0.00 N ATOM 0 H LYS A 170 69.456 -4.395 -1.361 1.00 0.00 H new ATOM 0 HA LYS A 170 68.336 -7.194 -1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 170 69.283 -5.158 -3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 170 70.189 -6.651 -3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 170 67.608 -7.629 -3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 170 67.315 -6.120 -4.251 1.00 0.00 H new ATOM 0 HD2 LYS A 170 68.147 -6.985 -6.190 1.00 0.00 H new ATOM 0 HD3 LYS A 170 69.664 -7.381 -5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 170 68.912 -9.552 -5.969 1.00 0.00 H new ATOM 0 HE3 LYS A 170 68.232 -9.413 -4.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 66.513 -10.008 -5.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 66.191 -8.476 -5.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 66.850 -8.611 -6.893 1.00 0.00 H new ATOM 1182 N ARG A 171 70.778 -8.161 -1.522 1.00 0.00 N ATOM 1183 CA ARG A 171 72.077 -8.675 -1.031 1.00 0.00 C ATOM 1184 C ARG A 171 73.167 -8.445 -2.079 1.00 0.00 C ATOM 1185 O ARG A 171 72.897 -8.047 -3.194 1.00 0.00 O ATOM 1186 CB ARG A 171 71.859 -10.166 -0.781 1.00 0.00 C ATOM 1187 CG ARG A 171 72.220 -10.499 0.668 1.00 0.00 C ATOM 1188 CD ARG A 171 72.128 -12.010 0.884 1.00 0.00 C ATOM 1189 NE ARG A 171 70.855 -12.212 1.628 1.00 0.00 N ATOM 1190 CZ ARG A 171 70.468 -13.418 1.944 1.00 0.00 C ATOM 1191 NH1 ARG A 171 69.937 -14.188 1.036 1.00 0.00 N ATOM 1192 NH2 ARG A 171 70.612 -13.853 3.167 1.00 0.00 N ATOM 0 H ARG A 171 70.222 -8.820 -2.066 1.00 0.00 H new ATOM 0 HA ARG A 171 72.404 -8.166 -0.124 1.00 0.00 H new ATOM 0 HB2 ARG A 171 70.820 -10.430 -0.978 1.00 0.00 H new ATOM 0 HB3 ARG A 171 72.473 -10.754 -1.464 1.00 0.00 H new ATOM 0 HG2 ARG A 171 73.228 -10.150 0.892 1.00 0.00 H new ATOM 0 HG3 ARG A 171 71.545 -9.982 1.350 1.00 0.00 H new ATOM 0 HD2 ARG A 171 72.120 -12.545 -0.065 1.00 0.00 H new ATOM 0 HD3 ARG A 171 72.981 -12.381 1.452 1.00 0.00 H new ATOM 0 HE ARG A 171 70.285 -11.408 1.891 1.00 0.00 H new ATOM 0 HH11 ARG A 171 69.825 -13.848 0.081 1.00 0.00 H new ATOM 0 HH12 ARG A 171 69.634 -15.131 1.281 1.00 0.00 H new ATOM 0 HH21 ARG A 171 71.027 -13.250 3.877 1.00 0.00 H new ATOM 0 HH22 ARG A 171 70.309 -14.796 3.412 1.00 0.00 H new ATOM 1206 N ALA A 172 74.396 -8.689 -1.726 1.00 0.00 N ATOM 1207 CA ALA A 172 75.506 -8.483 -2.697 1.00 0.00 C ATOM 1208 C ALA A 172 76.653 -9.444 -2.389 1.00 0.00 C ATOM 1209 O ALA A 172 77.507 -9.165 -1.571 1.00 0.00 O ATOM 1210 CB ALA A 172 75.947 -7.036 -2.483 1.00 0.00 C ATOM 0 H ALA A 172 74.681 -9.023 -0.805 1.00 0.00 H new ATOM 0 HA ALA A 172 75.201 -8.669 -3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 172 76.766 -6.801 -3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 172 75.109 -6.367 -2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 172 76.281 -6.906 -1.454 1.00 0.00 H new TER 1216 ALA A 172