USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=14 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 -179:sc= 0.897 USER MOD Set 1.2: A 160 HIS : no HD1:sc= -7.49! C(o=-6.6!,f=-10!) USER MOD Set 2.1: A 105 SER OG : rot -137:sc= 1.9 USER MOD Set 2.2: A 108 THR OG1 : rot -50:sc= -1.99! USER MOD Set 2.3: A 163 ASN : amide:sc= -3.36! C(o=-3.5!,f=-9.8!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -145:sc= -2.25! (180deg=-6.16!) USER MOD Single : A 109 THR OG1 : rot -20:sc= 0.348 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -72:sc= -6.03! USER MOD Single : A 127 THR OG1 : rot 34:sc= 0.399 USER MOD Single : A 129 LYS NZ :NH3+ -157:sc= -0.111 (180deg=-0.502) USER MOD Single : A 134 THR OG1 : rot 180:sc= -1.64! USER MOD Single : A 137 SER OG : rot 152:sc= 0.257 USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 SER OG : rot 180:sc= -0.291 USER MOD Single : A 150 SER OG : rot 11:sc= -1.25! USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 157 GLN : amide:sc= -5.13! C(o=-5.1!,f=-5.1!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= -0.0345 (180deg=-0.0345) USER MOD Single : A 165 LYS NZ :NH3+ 157:sc= -0.205 (180deg=-1.5!) USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 98 77.123 -7.361 3.526 1.00 0.00 N ATOM 2 CA LYS A 98 76.952 -6.179 2.637 1.00 0.00 C ATOM 3 C LYS A 98 75.572 -6.200 1.977 1.00 0.00 C ATOM 4 O LYS A 98 75.014 -7.247 1.711 1.00 0.00 O ATOM 5 CB LYS A 98 78.051 -6.314 1.581 1.00 0.00 C ATOM 6 CG LYS A 98 79.378 -6.669 2.258 1.00 0.00 C ATOM 7 CD LYS A 98 80.407 -7.052 1.192 1.00 0.00 C ATOM 8 CE LYS A 98 81.818 -6.881 1.758 1.00 0.00 C ATOM 9 NZ LYS A 98 82.718 -7.480 0.732 1.00 0.00 N ATOM 0 HA LYS A 98 77.024 -5.240 3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 98 77.782 -7.085 0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 98 78.153 -5.381 1.027 1.00 0.00 H new ATOM 0 HG2 LYS A 98 79.740 -5.822 2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 98 79.234 -7.496 2.954 1.00 0.00 H new ATOM 0 HD2 LYS A 98 80.253 -8.084 0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 98 80.280 -6.427 0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 98 82.052 -5.829 1.924 1.00 0.00 H new ATOM 0 HE3 LYS A 98 81.922 -7.386 2.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 83.706 -7.401 1.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 82.476 -8.483 0.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 82.602 -6.975 -0.169 1.00 0.00 H new ATOM 23 N MET A 99 75.018 -5.050 1.708 1.00 0.00 N ATOM 24 CA MET A 99 73.678 -4.996 1.060 1.00 0.00 C ATOM 25 C MET A 99 73.614 -3.829 0.076 1.00 0.00 C ATOM 26 O MET A 99 74.590 -3.139 -0.150 1.00 0.00 O ATOM 27 CB MET A 99 72.688 -4.750 2.193 1.00 0.00 C ATOM 28 CG MET A 99 72.111 -6.079 2.690 1.00 0.00 C ATOM 29 SD MET A 99 70.309 -6.087 2.484 1.00 0.00 S ATOM 30 CE MET A 99 69.998 -4.371 2.970 1.00 0.00 C ATOM 0 H MET A 99 75.437 -4.142 1.910 1.00 0.00 H new ATOM 0 HA MET A 99 73.463 -5.912 0.510 1.00 0.00 H new ATOM 0 HB2 MET A 99 73.185 -4.231 3.013 1.00 0.00 H new ATOM 0 HB3 MET A 99 71.882 -4.102 1.847 1.00 0.00 H new ATOM 0 HG2 MET A 99 72.553 -6.907 2.135 1.00 0.00 H new ATOM 0 HG3 MET A 99 72.366 -6.226 3.739 1.00 0.00 H new ATOM 0 HE1 MET A 99 69.048 -4.310 3.501 1.00 0.00 H new ATOM 0 HE2 MET A 99 70.801 -4.026 3.622 1.00 0.00 H new ATOM 0 HE3 MET A 99 69.958 -3.742 2.080 1.00 0.00 H new ATOM 40 N PHE A 100 72.468 -3.589 -0.496 1.00 0.00 N ATOM 41 CA PHE A 100 72.347 -2.456 -1.449 1.00 0.00 C ATOM 42 C PHE A 100 70.983 -1.777 -1.305 1.00 0.00 C ATOM 43 O PHE A 100 69.996 -2.399 -0.966 1.00 0.00 O ATOM 44 CB PHE A 100 72.513 -3.077 -2.836 1.00 0.00 C ATOM 45 CG PHE A 100 72.037 -2.102 -3.883 1.00 0.00 C ATOM 46 CD1 PHE A 100 72.551 -0.801 -3.906 1.00 0.00 C ATOM 47 CD2 PHE A 100 71.081 -2.495 -4.826 1.00 0.00 C ATOM 48 CE1 PHE A 100 72.111 0.108 -4.875 1.00 0.00 C ATOM 49 CE2 PHE A 100 70.643 -1.586 -5.797 1.00 0.00 C ATOM 50 CZ PHE A 100 71.159 -0.285 -5.819 1.00 0.00 C ATOM 0 H PHE A 100 71.614 -4.127 -0.345 1.00 0.00 H new ATOM 0 HA PHE A 100 73.094 -1.683 -1.266 1.00 0.00 H new ATOM 0 HB2 PHE A 100 73.559 -3.332 -3.009 1.00 0.00 H new ATOM 0 HB3 PHE A 100 71.944 -4.004 -2.902 1.00 0.00 H new ATOM 0 HD1 PHE A 100 73.287 -0.498 -3.176 1.00 0.00 H new ATOM 0 HD2 PHE A 100 70.681 -3.498 -4.805 1.00 0.00 H new ATOM 0 HE1 PHE A 100 72.507 1.113 -4.893 1.00 0.00 H new ATOM 0 HE2 PHE A 100 69.908 -1.888 -6.528 1.00 0.00 H new ATOM 0 HZ PHE A 100 70.821 0.416 -6.567 1.00 0.00 H new ATOM 60 N ILE A 101 70.932 -0.496 -1.546 1.00 0.00 N ATOM 61 CA ILE A 101 69.645 0.247 -1.412 1.00 0.00 C ATOM 62 C ILE A 101 69.325 0.985 -2.713 1.00 0.00 C ATOM 63 O ILE A 101 69.965 1.957 -3.061 1.00 0.00 O ATOM 64 CB ILE A 101 69.880 1.238 -0.268 1.00 0.00 C ATOM 65 CG1 ILE A 101 70.748 0.592 0.820 1.00 0.00 C ATOM 66 CG2 ILE A 101 68.539 1.625 0.336 1.00 0.00 C ATOM 67 CD1 ILE A 101 70.177 -0.780 1.192 1.00 0.00 C ATOM 0 H ILE A 101 71.730 0.072 -1.831 1.00 0.00 H new ATOM 0 HA ILE A 101 68.802 -0.413 -1.210 1.00 0.00 H new ATOM 0 HB ILE A 101 70.389 2.120 -0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 101 71.773 0.485 0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 101 70.781 1.233 1.701 1.00 0.00 H new ATOM 0 HG21 ILE A 101 68.697 2.331 1.152 1.00 0.00 H new ATOM 0 HG22 ILE A 101 67.916 2.088 -0.429 1.00 0.00 H new ATOM 0 HG23 ILE A 101 68.042 0.734 0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 101 70.797 -1.235 1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 101 69.160 -0.662 1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 101 70.168 -1.421 0.311 1.00 0.00 H new ATOM 79 N GLY A 102 68.341 0.525 -3.440 1.00 0.00 N ATOM 80 CA GLY A 102 67.987 1.201 -4.723 1.00 0.00 C ATOM 81 C GLY A 102 66.725 2.050 -4.532 1.00 0.00 C ATOM 82 O GLY A 102 65.667 1.542 -4.224 1.00 0.00 O ATOM 0 H GLY A 102 67.769 -0.286 -3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 102 68.813 1.831 -5.053 1.00 0.00 H new ATOM 0 HA3 GLY A 102 67.822 0.458 -5.503 1.00 0.00 H new ATOM 86 N GLY A 103 66.827 3.338 -4.720 1.00 0.00 N ATOM 87 CA GLY A 103 65.629 4.209 -4.551 1.00 0.00 C ATOM 88 C GLY A 103 65.998 5.440 -3.719 1.00 0.00 C ATOM 89 O GLY A 103 65.248 5.871 -2.865 1.00 0.00 O ATOM 0 H GLY A 103 67.685 3.823 -4.982 1.00 0.00 H new ATOM 0 HA2 GLY A 103 65.251 4.517 -5.526 1.00 0.00 H new ATOM 0 HA3 GLY A 103 64.830 3.653 -4.061 1.00 0.00 H new ATOM 93 N LEU A 104 67.144 6.011 -3.966 1.00 0.00 N ATOM 94 CA LEU A 104 67.561 7.216 -3.193 1.00 0.00 C ATOM 95 C LEU A 104 67.080 8.484 -3.904 1.00 0.00 C ATOM 96 O LEU A 104 66.869 8.493 -5.101 1.00 0.00 O ATOM 97 CB LEU A 104 69.090 7.163 -3.170 1.00 0.00 C ATOM 98 CG LEU A 104 69.558 6.115 -2.158 1.00 0.00 C ATOM 99 CD1 LEU A 104 69.047 6.482 -0.762 1.00 0.00 C ATOM 100 CD2 LEU A 104 69.014 4.737 -2.552 1.00 0.00 C ATOM 0 H LEU A 104 67.811 5.696 -4.670 1.00 0.00 H new ATOM 0 HA LEU A 104 67.140 7.231 -2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 104 69.469 6.918 -4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 104 69.493 8.141 -2.907 1.00 0.00 H new ATOM 0 HG LEU A 104 70.648 6.087 -2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 104 69.382 5.734 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 104 69.437 7.459 -0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 104 67.958 6.515 -0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 104 69.349 3.993 -1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 104 67.924 4.766 -2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 104 69.381 4.471 -3.543 1.00 0.00 H new ATOM 112 N SER A 105 66.903 9.555 -3.179 1.00 0.00 N ATOM 113 CA SER A 105 66.433 10.819 -3.817 1.00 0.00 C ATOM 114 C SER A 105 67.551 11.435 -4.664 1.00 0.00 C ATOM 115 O SER A 105 68.620 10.875 -4.800 1.00 0.00 O ATOM 116 CB SER A 105 66.069 11.738 -2.652 1.00 0.00 C ATOM 117 OG SER A 105 67.255 12.311 -2.116 1.00 0.00 O ATOM 0 H SER A 105 67.063 9.610 -2.173 1.00 0.00 H new ATOM 0 HA SER A 105 65.587 10.655 -4.485 1.00 0.00 H new ATOM 0 HB2 SER A 105 65.393 12.523 -2.991 1.00 0.00 H new ATOM 0 HB3 SER A 105 65.543 11.175 -1.881 1.00 0.00 H new ATOM 0 HG SER A 105 67.210 12.300 -1.137 1.00 0.00 H new ATOM 123 N TRP A 106 67.312 12.584 -5.237 1.00 0.00 N ATOM 124 CA TRP A 106 68.362 13.232 -6.076 1.00 0.00 C ATOM 125 C TRP A 106 69.451 13.840 -5.189 1.00 0.00 C ATOM 126 O TRP A 106 70.590 13.975 -5.592 1.00 0.00 O ATOM 127 CB TRP A 106 67.628 14.325 -6.856 1.00 0.00 C ATOM 128 CG TRP A 106 68.608 15.092 -7.686 1.00 0.00 C ATOM 129 CD1 TRP A 106 68.941 14.801 -8.965 1.00 0.00 C ATOM 130 CD2 TRP A 106 69.387 16.268 -7.319 1.00 0.00 C ATOM 131 NE1 TRP A 106 69.873 15.723 -9.405 1.00 0.00 N ATOM 132 CE2 TRP A 106 70.181 16.647 -8.427 1.00 0.00 C ATOM 133 CE3 TRP A 106 69.481 17.037 -6.143 1.00 0.00 C ATOM 134 CZ2 TRP A 106 71.037 17.747 -8.372 1.00 0.00 C ATOM 135 CZ3 TRP A 106 70.342 18.144 -6.084 1.00 0.00 C ATOM 136 CH2 TRP A 106 71.119 18.499 -7.197 1.00 0.00 C ATOM 0 H TRP A 106 66.436 13.102 -5.161 1.00 0.00 H new ATOM 0 HA TRP A 106 68.857 12.522 -6.739 1.00 0.00 H new ATOM 0 HB2 TRP A 106 66.865 13.880 -7.494 1.00 0.00 H new ATOM 0 HB3 TRP A 106 67.116 14.996 -6.167 1.00 0.00 H new ATOM 0 HD1 TRP A 106 68.544 13.982 -9.547 1.00 0.00 H new ATOM 0 HE1 TRP A 106 70.283 15.721 -10.339 1.00 0.00 H new ATOM 0 HE3 TRP A 106 68.887 16.773 -5.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 71.633 18.016 -9.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 70.407 18.726 -5.176 1.00 0.00 H new ATOM 0 HH2 TRP A 106 71.779 19.352 -7.146 1.00 0.00 H new ATOM 147 N ASP A 107 69.112 14.208 -3.984 1.00 0.00 N ATOM 148 CA ASP A 107 70.131 14.807 -3.073 1.00 0.00 C ATOM 149 C ASP A 107 70.393 13.875 -1.886 1.00 0.00 C ATOM 150 O ASP A 107 70.594 14.315 -0.772 1.00 0.00 O ATOM 151 CB ASP A 107 69.509 16.121 -2.595 1.00 0.00 C ATOM 152 CG ASP A 107 68.175 15.835 -1.901 1.00 0.00 C ATOM 153 OD1 ASP A 107 67.172 15.771 -2.590 1.00 0.00 O ATOM 154 OD2 ASP A 107 68.181 15.684 -0.689 1.00 0.00 O ATOM 0 H ASP A 107 68.175 14.120 -3.590 1.00 0.00 H new ATOM 0 HA ASP A 107 71.088 14.965 -3.570 1.00 0.00 H new ATOM 0 HB2 ASP A 107 70.187 16.627 -1.908 1.00 0.00 H new ATOM 0 HB3 ASP A 107 69.354 16.791 -3.441 1.00 0.00 H new ATOM 159 N THR A 108 70.392 12.589 -2.114 1.00 0.00 N ATOM 160 CA THR A 108 70.641 11.635 -0.993 1.00 0.00 C ATOM 161 C THR A 108 72.137 11.580 -0.665 1.00 0.00 C ATOM 162 O THR A 108 72.977 11.758 -1.523 1.00 0.00 O ATOM 163 CB THR A 108 70.151 10.277 -1.506 1.00 0.00 C ATOM 164 OG1 THR A 108 69.013 10.468 -2.335 1.00 0.00 O ATOM 165 CG2 THR A 108 69.779 9.390 -0.318 1.00 0.00 C ATOM 0 H THR A 108 70.230 12.158 -3.024 1.00 0.00 H new ATOM 0 HA THR A 108 70.127 11.932 -0.079 1.00 0.00 H new ATOM 0 HB THR A 108 70.941 9.796 -2.083 1.00 0.00 H new ATOM 0 HG1 THR A 108 68.361 11.033 -1.870 1.00 0.00 H new ATOM 0 HG21 THR A 108 69.430 8.423 -0.681 1.00 0.00 H new ATOM 0 HG22 THR A 108 70.654 9.245 0.316 1.00 0.00 H new ATOM 0 HG23 THR A 108 68.988 9.868 0.259 1.00 0.00 H new ATOM 173 N THR A 109 72.473 11.338 0.573 1.00 0.00 N ATOM 174 CA THR A 109 73.914 11.273 0.956 1.00 0.00 C ATOM 175 C THR A 109 74.196 10.004 1.764 1.00 0.00 C ATOM 176 O THR A 109 73.306 9.404 2.333 1.00 0.00 O ATOM 177 CB THR A 109 74.152 12.515 1.816 1.00 0.00 C ATOM 178 OG1 THR A 109 73.425 12.394 3.031 1.00 0.00 O ATOM 179 CG2 THR A 109 73.685 13.762 1.061 1.00 0.00 C ATOM 0 H THR A 109 71.814 11.183 1.335 1.00 0.00 H new ATOM 0 HA THR A 109 74.568 11.245 0.085 1.00 0.00 H new ATOM 0 HB THR A 109 75.216 12.605 2.035 1.00 0.00 H new ATOM 0 HG1 THR A 109 72.713 11.730 2.921 1.00 0.00 H new ATOM 0 HG21 THR A 109 73.856 14.645 1.676 1.00 0.00 H new ATOM 0 HG22 THR A 109 74.244 13.855 0.130 1.00 0.00 H new ATOM 0 HG23 THR A 109 72.622 13.675 0.838 1.00 0.00 H new ATOM 187 N LYS A 110 75.430 9.594 1.823 1.00 0.00 N ATOM 188 CA LYS A 110 75.771 8.369 2.599 1.00 0.00 C ATOM 189 C LYS A 110 75.501 8.604 4.093 1.00 0.00 C ATOM 190 O LYS A 110 75.459 7.678 4.878 1.00 0.00 O ATOM 191 CB LYS A 110 77.267 8.146 2.326 1.00 0.00 C ATOM 192 CG LYS A 110 77.945 7.488 3.534 1.00 0.00 C ATOM 193 CD LYS A 110 78.399 8.572 4.515 1.00 0.00 C ATOM 194 CE LYS A 110 79.809 9.041 4.145 1.00 0.00 C ATOM 195 NZ LYS A 110 79.688 10.516 3.974 1.00 0.00 N ATOM 0 H LYS A 110 76.219 10.053 1.368 1.00 0.00 H new ATOM 0 HA LYS A 110 75.177 7.501 2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 110 77.391 7.516 1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 110 77.748 9.099 2.107 1.00 0.00 H new ATOM 0 HG2 LYS A 110 77.253 6.804 4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 110 78.800 6.896 3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 110 77.706 9.413 4.489 1.00 0.00 H new ATOM 0 HD3 LYS A 110 78.390 8.183 5.533 1.00 0.00 H new ATOM 0 HE2 LYS A 110 80.527 8.791 4.927 1.00 0.00 H new ATOM 0 HE3 LYS A 110 80.157 8.564 3.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 80.615 10.913 3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 79.003 10.723 3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 79.362 10.943 4.864 1.00 0.00 H new ATOM 209 N LYS A 111 75.326 9.836 4.489 1.00 0.00 N ATOM 210 CA LYS A 111 75.069 10.126 5.930 1.00 0.00 C ATOM 211 C LYS A 111 73.590 9.924 6.271 1.00 0.00 C ATOM 212 O LYS A 111 73.251 9.201 7.187 1.00 0.00 O ATOM 213 CB LYS A 111 75.468 11.591 6.116 1.00 0.00 C ATOM 214 CG LYS A 111 75.475 11.932 7.607 1.00 0.00 C ATOM 215 CD LYS A 111 76.389 13.135 7.857 1.00 0.00 C ATOM 216 CE LYS A 111 75.608 14.222 8.600 1.00 0.00 C ATOM 217 NZ LYS A 111 76.481 15.428 8.543 1.00 0.00 N ATOM 0 H LYS A 111 75.350 10.653 3.879 1.00 0.00 H new ATOM 0 HA LYS A 111 75.631 9.460 6.585 1.00 0.00 H new ATOM 0 HB2 LYS A 111 76.454 11.768 5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 111 74.769 12.239 5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 111 74.463 12.156 7.943 1.00 0.00 H new ATOM 0 HG3 LYS A 111 75.820 11.074 8.184 1.00 0.00 H new ATOM 0 HD2 LYS A 111 77.257 12.831 8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 111 76.764 13.524 6.910 1.00 0.00 H new ATOM 0 HE2 LYS A 111 74.644 14.409 8.127 1.00 0.00 H new ATOM 0 HE3 LYS A 111 75.406 13.929 9.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 76.014 16.218 9.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 77.389 15.222 9.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 76.651 15.687 7.550 1.00 0.00 H new ATOM 231 N ASP A 112 72.704 10.559 5.553 1.00 0.00 N ATOM 232 CA ASP A 112 71.252 10.399 5.857 1.00 0.00 C ATOM 233 C ASP A 112 70.829 8.934 5.678 1.00 0.00 C ATOM 234 O ASP A 112 70.003 8.425 6.410 1.00 0.00 O ATOM 235 CB ASP A 112 70.528 11.321 4.865 1.00 0.00 C ATOM 236 CG ASP A 112 70.273 10.589 3.543 1.00 0.00 C ATOM 237 OD1 ASP A 112 71.236 10.280 2.865 1.00 0.00 O ATOM 238 OD2 ASP A 112 69.117 10.354 3.233 1.00 0.00 O ATOM 0 H ASP A 112 72.920 11.179 4.773 1.00 0.00 H new ATOM 0 HA ASP A 112 71.011 10.662 6.887 1.00 0.00 H new ATOM 0 HB2 ASP A 112 69.582 11.654 5.292 1.00 0.00 H new ATOM 0 HB3 ASP A 112 71.127 12.213 4.684 1.00 0.00 H new ATOM 243 N LEU A 113 71.392 8.253 4.717 1.00 0.00 N ATOM 244 CA LEU A 113 71.021 6.824 4.505 1.00 0.00 C ATOM 245 C LEU A 113 71.593 5.965 5.631 1.00 0.00 C ATOM 246 O LEU A 113 70.873 5.268 6.319 1.00 0.00 O ATOM 247 CB LEU A 113 71.648 6.441 3.163 1.00 0.00 C ATOM 248 CG LEU A 113 71.096 5.091 2.708 1.00 0.00 C ATOM 249 CD1 LEU A 113 69.611 5.232 2.368 1.00 0.00 C ATOM 250 CD2 LEU A 113 71.856 4.624 1.465 1.00 0.00 C ATOM 0 H LEU A 113 72.090 8.622 4.072 1.00 0.00 H new ATOM 0 HA LEU A 113 69.942 6.672 4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 113 71.430 7.205 2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 113 72.733 6.389 3.258 1.00 0.00 H new ATOM 0 HG LEU A 113 71.218 4.362 3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 113 69.219 4.268 2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 113 69.066 5.567 3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 113 69.489 5.961 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 113 71.463 3.661 1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 113 71.732 5.355 0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 113 72.915 4.522 1.703 1.00 0.00 H new ATOM 262 N LYS A 114 72.880 6.012 5.833 1.00 0.00 N ATOM 263 CA LYS A 114 73.484 5.199 6.924 1.00 0.00 C ATOM 264 C LYS A 114 72.736 5.456 8.235 1.00 0.00 C ATOM 265 O LYS A 114 72.572 4.573 9.053 1.00 0.00 O ATOM 266 CB LYS A 114 74.932 5.680 7.025 1.00 0.00 C ATOM 267 CG LYS A 114 75.692 4.798 8.018 1.00 0.00 C ATOM 268 CD LYS A 114 76.239 5.663 9.154 1.00 0.00 C ATOM 269 CE LYS A 114 76.029 4.943 10.488 1.00 0.00 C ATOM 270 NZ LYS A 114 77.331 5.071 11.198 1.00 0.00 N ATOM 0 H LYS A 114 73.537 6.575 5.293 1.00 0.00 H new ATOM 0 HA LYS A 114 73.429 4.128 6.727 1.00 0.00 H new ATOM 0 HB2 LYS A 114 75.409 5.639 6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 114 74.960 6.720 7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 114 75.031 4.029 8.418 1.00 0.00 H new ATOM 0 HG3 LYS A 114 76.509 4.284 7.512 1.00 0.00 H new ATOM 0 HD2 LYS A 114 77.300 5.860 8.998 1.00 0.00 H new ATOM 0 HD3 LYS A 114 75.734 6.629 9.166 1.00 0.00 H new ATOM 0 HE2 LYS A 114 75.220 5.398 11.060 1.00 0.00 H new ATOM 0 HE3 LYS A 114 75.763 3.897 10.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 77.269 4.602 12.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 78.080 4.624 10.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 77.555 6.077 11.334 1.00 0.00 H new ATOM 284 N ASP A 115 72.274 6.660 8.438 1.00 0.00 N ATOM 285 CA ASP A 115 71.535 6.964 9.695 1.00 0.00 C ATOM 286 C ASP A 115 70.146 6.345 9.642 1.00 0.00 C ATOM 287 O ASP A 115 69.781 5.574 10.506 1.00 0.00 O ATOM 288 CB ASP A 115 71.455 8.489 9.767 1.00 0.00 C ATOM 289 CG ASP A 115 72.525 9.010 10.728 1.00 0.00 C ATOM 290 OD1 ASP A 115 72.258 9.043 11.919 1.00 0.00 O ATOM 291 OD2 ASP A 115 73.593 9.367 10.258 1.00 0.00 O ATOM 0 H ASP A 115 72.376 7.442 7.791 1.00 0.00 H new ATOM 0 HA ASP A 115 72.031 6.555 10.575 1.00 0.00 H new ATOM 0 HB2 ASP A 115 71.600 8.919 8.776 1.00 0.00 H new ATOM 0 HB3 ASP A 115 70.466 8.797 10.106 1.00 0.00 H new ATOM 296 N TYR A 116 69.373 6.639 8.636 1.00 0.00 N ATOM 297 CA TYR A 116 68.032 6.007 8.564 1.00 0.00 C ATOM 298 C TYR A 116 68.197 4.514 8.824 1.00 0.00 C ATOM 299 O TYR A 116 67.327 3.857 9.361 1.00 0.00 O ATOM 300 CB TYR A 116 67.540 6.231 7.141 1.00 0.00 C ATOM 301 CG TYR A 116 66.313 5.386 6.932 1.00 0.00 C ATOM 302 CD1 TYR A 116 65.069 5.860 7.354 1.00 0.00 C ATOM 303 CD2 TYR A 116 66.417 4.126 6.329 1.00 0.00 C ATOM 304 CE1 TYR A 116 63.922 5.079 7.170 1.00 0.00 C ATOM 305 CE2 TYR A 116 65.273 3.344 6.145 1.00 0.00 C ATOM 306 CZ TYR A 116 64.024 3.819 6.564 1.00 0.00 C ATOM 307 OH TYR A 116 62.894 3.048 6.384 1.00 0.00 O ATOM 0 H TYR A 116 69.606 7.277 7.875 1.00 0.00 H new ATOM 0 HA TYR A 116 67.333 6.420 9.291 1.00 0.00 H new ATOM 0 HB2 TYR A 116 67.309 7.284 6.980 1.00 0.00 H new ATOM 0 HB3 TYR A 116 68.315 5.961 6.423 1.00 0.00 H new ATOM 0 HD1 TYR A 116 64.992 6.830 7.823 1.00 0.00 H new ATOM 0 HD2 TYR A 116 67.380 3.759 6.007 1.00 0.00 H new ATOM 0 HE1 TYR A 116 62.960 5.447 7.494 1.00 0.00 H new ATOM 0 HE2 TYR A 116 65.352 2.373 5.679 1.00 0.00 H new ATOM 0 HH TYR A 116 63.141 2.198 5.964 1.00 0.00 H new ATOM 317 N PHE A 117 69.325 3.977 8.436 1.00 0.00 N ATOM 318 CA PHE A 117 69.572 2.526 8.648 1.00 0.00 C ATOM 319 C PHE A 117 70.255 2.272 9.997 1.00 0.00 C ATOM 320 O PHE A 117 70.366 1.147 10.443 1.00 0.00 O ATOM 321 CB PHE A 117 70.467 2.094 7.488 1.00 0.00 C ATOM 322 CG PHE A 117 69.602 1.794 6.287 1.00 0.00 C ATOM 323 CD1 PHE A 117 68.548 0.880 6.401 1.00 0.00 C ATOM 324 CD2 PHE A 117 69.850 2.430 5.064 1.00 0.00 C ATOM 325 CE1 PHE A 117 67.742 0.599 5.293 1.00 0.00 C ATOM 326 CE2 PHE A 117 69.043 2.148 3.954 1.00 0.00 C ATOM 327 CZ PHE A 117 67.989 1.234 4.069 1.00 0.00 C ATOM 0 H PHE A 117 70.084 4.484 7.981 1.00 0.00 H new ATOM 0 HA PHE A 117 68.641 1.959 8.672 1.00 0.00 H new ATOM 0 HB2 PHE A 117 71.182 2.882 7.250 1.00 0.00 H new ATOM 0 HB3 PHE A 117 71.045 1.212 7.766 1.00 0.00 H new ATOM 0 HD1 PHE A 117 68.357 0.391 7.345 1.00 0.00 H new ATOM 0 HD2 PHE A 117 70.662 3.137 4.977 1.00 0.00 H new ATOM 0 HE1 PHE A 117 66.930 -0.107 5.381 1.00 0.00 H new ATOM 0 HE2 PHE A 117 69.234 2.636 3.010 1.00 0.00 H new ATOM 0 HZ PHE A 117 67.366 1.018 3.214 1.00 0.00 H new ATOM 337 N SER A 118 70.707 3.298 10.656 1.00 0.00 N ATOM 338 CA SER A 118 71.361 3.096 11.977 1.00 0.00 C ATOM 339 C SER A 118 70.332 2.556 12.977 1.00 0.00 C ATOM 340 O SER A 118 70.669 2.125 14.061 1.00 0.00 O ATOM 341 CB SER A 118 71.855 4.482 12.396 1.00 0.00 C ATOM 342 OG SER A 118 71.434 4.750 13.728 1.00 0.00 O ATOM 0 H SER A 118 70.653 4.266 10.339 1.00 0.00 H new ATOM 0 HA SER A 118 72.181 2.379 11.937 1.00 0.00 H new ATOM 0 HB2 SER A 118 72.942 4.528 12.330 1.00 0.00 H new ATOM 0 HB3 SER A 118 71.462 5.240 11.719 1.00 0.00 H new ATOM 0 HG SER A 118 71.751 5.637 13.999 1.00 0.00 H new ATOM 348 N LYS A 119 69.076 2.576 12.610 1.00 0.00 N ATOM 349 CA LYS A 119 68.016 2.063 13.525 1.00 0.00 C ATOM 350 C LYS A 119 67.948 0.537 13.443 1.00 0.00 C ATOM 351 O LYS A 119 67.390 -0.119 14.301 1.00 0.00 O ATOM 352 CB LYS A 119 66.717 2.681 13.012 1.00 0.00 C ATOM 353 CG LYS A 119 65.559 2.260 13.918 1.00 0.00 C ATOM 354 CD LYS A 119 64.419 1.704 13.064 1.00 0.00 C ATOM 355 CE LYS A 119 63.988 2.756 12.039 1.00 0.00 C ATOM 356 NZ LYS A 119 62.499 2.706 12.039 1.00 0.00 N ATOM 0 H LYS A 119 68.740 2.927 11.713 1.00 0.00 H new ATOM 0 HA LYS A 119 68.207 2.321 14.566 1.00 0.00 H new ATOM 0 HB2 LYS A 119 66.801 3.768 12.993 1.00 0.00 H new ATOM 0 HB3 LYS A 119 66.528 2.358 11.988 1.00 0.00 H new ATOM 0 HG2 LYS A 119 65.896 1.506 14.630 1.00 0.00 H new ATOM 0 HG3 LYS A 119 65.209 3.113 14.499 1.00 0.00 H new ATOM 0 HD2 LYS A 119 64.742 0.796 12.555 1.00 0.00 H new ATOM 0 HD3 LYS A 119 63.575 1.432 13.698 1.00 0.00 H new ATOM 0 HE2 LYS A 119 64.350 3.747 12.314 1.00 0.00 H new ATOM 0 HE3 LYS A 119 64.391 2.533 11.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 62.128 3.401 11.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 62.184 1.753 11.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 62.144 2.929 12.991 1.00 0.00 H new ATOM 370 N PHE A 120 68.520 -0.034 12.420 1.00 0.00 N ATOM 371 CA PHE A 120 68.495 -1.517 12.285 1.00 0.00 C ATOM 372 C PHE A 120 69.703 -2.112 13.004 1.00 0.00 C ATOM 373 O PHE A 120 69.579 -2.858 13.955 1.00 0.00 O ATOM 374 CB PHE A 120 68.614 -1.793 10.787 1.00 0.00 C ATOM 375 CG PHE A 120 67.478 -1.148 10.023 1.00 0.00 C ATOM 376 CD1 PHE A 120 67.550 0.205 9.667 1.00 0.00 C ATOM 377 CD2 PHE A 120 66.364 -1.910 9.645 1.00 0.00 C ATOM 378 CE1 PHE A 120 66.515 0.796 8.938 1.00 0.00 C ATOM 379 CE2 PHE A 120 65.329 -1.317 8.909 1.00 0.00 C ATOM 380 CZ PHE A 120 65.406 0.036 8.558 1.00 0.00 C ATOM 0 H PHE A 120 69.004 0.462 11.672 1.00 0.00 H new ATOM 0 HA PHE A 120 67.591 -1.951 12.712 1.00 0.00 H new ATOM 0 HB2 PHE A 120 69.567 -1.413 10.418 1.00 0.00 H new ATOM 0 HB3 PHE A 120 68.611 -2.869 10.611 1.00 0.00 H new ATOM 0 HD1 PHE A 120 68.408 0.793 9.957 1.00 0.00 H new ATOM 0 HD2 PHE A 120 66.303 -2.953 9.920 1.00 0.00 H new ATOM 0 HE1 PHE A 120 66.572 1.840 8.668 1.00 0.00 H new ATOM 0 HE2 PHE A 120 64.472 -1.904 8.613 1.00 0.00 H new ATOM 0 HZ PHE A 120 64.607 0.493 7.993 1.00 0.00 H new ATOM 390 N GLY A 121 70.873 -1.776 12.545 1.00 0.00 N ATOM 391 CA GLY A 121 72.115 -2.297 13.176 1.00 0.00 C ATOM 392 C GLY A 121 73.270 -1.357 12.836 1.00 0.00 C ATOM 393 O GLY A 121 73.168 -0.531 11.951 1.00 0.00 O ATOM 0 H GLY A 121 71.024 -1.155 11.750 1.00 0.00 H new ATOM 0 HA2 GLY A 121 71.989 -2.366 14.257 1.00 0.00 H new ATOM 0 HA3 GLY A 121 72.328 -3.303 12.815 1.00 0.00 H new ATOM 397 N GLU A 122 74.369 -1.467 13.529 1.00 0.00 N ATOM 398 CA GLU A 122 75.519 -0.568 13.232 1.00 0.00 C ATOM 399 C GLU A 122 76.014 -0.799 11.803 1.00 0.00 C ATOM 400 O GLU A 122 76.432 -1.884 11.448 1.00 0.00 O ATOM 401 CB GLU A 122 76.597 -0.951 14.245 1.00 0.00 C ATOM 402 CG GLU A 122 76.409 -0.130 15.523 1.00 0.00 C ATOM 403 CD GLU A 122 77.240 -0.742 16.651 1.00 0.00 C ATOM 404 OE1 GLU A 122 78.380 -1.096 16.397 1.00 0.00 O ATOM 405 OE2 GLU A 122 76.724 -0.844 17.752 1.00 0.00 O ATOM 0 H GLU A 122 74.520 -2.136 14.284 1.00 0.00 H new ATOM 0 HA GLU A 122 75.250 0.486 13.307 1.00 0.00 H new ATOM 0 HB2 GLU A 122 76.537 -2.016 14.471 1.00 0.00 H new ATOM 0 HB3 GLU A 122 77.587 -0.770 13.826 1.00 0.00 H new ATOM 0 HG2 GLU A 122 76.713 0.903 15.352 1.00 0.00 H new ATOM 0 HG3 GLU A 122 75.356 -0.110 15.803 1.00 0.00 H new ATOM 412 N VAL A 123 75.975 0.212 10.979 1.00 0.00 N ATOM 413 CA VAL A 123 76.449 0.049 9.575 1.00 0.00 C ATOM 414 C VAL A 123 77.936 0.358 9.472 1.00 0.00 C ATOM 415 O VAL A 123 78.419 1.349 9.983 1.00 0.00 O ATOM 416 CB VAL A 123 75.624 1.047 8.746 1.00 0.00 C ATOM 417 CG1 VAL A 123 76.447 1.584 7.566 1.00 0.00 C ATOM 418 CG2 VAL A 123 74.407 0.331 8.181 1.00 0.00 C ATOM 0 H VAL A 123 75.635 1.144 11.217 1.00 0.00 H new ATOM 0 HA VAL A 123 76.319 -0.973 9.219 1.00 0.00 H new ATOM 0 HB VAL A 123 75.331 1.875 9.392 1.00 0.00 H new ATOM 0 HG11 VAL A 123 75.844 2.288 6.993 1.00 0.00 H new ATOM 0 HG12 VAL A 123 77.336 2.090 7.943 1.00 0.00 H new ATOM 0 HG13 VAL A 123 76.746 0.755 6.924 1.00 0.00 H new ATOM 0 HG21 VAL A 123 73.815 1.030 7.591 1.00 0.00 H new ATOM 0 HG22 VAL A 123 74.732 -0.494 7.547 1.00 0.00 H new ATOM 0 HG23 VAL A 123 73.801 -0.057 8.999 1.00 0.00 H new ATOM 428 N VAL A 124 78.650 -0.467 8.772 1.00 0.00 N ATOM 429 CA VAL A 124 80.094 -0.216 8.579 1.00 0.00 C ATOM 430 C VAL A 124 80.255 0.642 7.335 1.00 0.00 C ATOM 431 O VAL A 124 81.245 1.324 7.161 1.00 0.00 O ATOM 432 CB VAL A 124 80.719 -1.602 8.365 1.00 0.00 C ATOM 433 CG1 VAL A 124 81.944 -1.495 7.442 1.00 0.00 C ATOM 434 CG2 VAL A 124 81.156 -2.173 9.714 1.00 0.00 C ATOM 0 H VAL A 124 78.292 -1.310 8.323 1.00 0.00 H new ATOM 0 HA VAL A 124 80.564 0.299 9.417 1.00 0.00 H new ATOM 0 HB VAL A 124 79.980 -2.257 7.904 1.00 0.00 H new ATOM 0 HG11 VAL A 124 82.378 -2.484 7.298 1.00 0.00 H new ATOM 0 HG12 VAL A 124 81.639 -1.089 6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 124 82.685 -0.836 7.895 1.00 0.00 H new ATOM 0 HG21 VAL A 124 81.600 -3.157 9.566 1.00 0.00 H new ATOM 0 HG22 VAL A 124 81.890 -1.508 10.170 1.00 0.00 H new ATOM 0 HG23 VAL A 124 80.290 -2.261 10.370 1.00 0.00 H new ATOM 444 N ASP A 125 79.296 0.596 6.452 1.00 0.00 N ATOM 445 CA ASP A 125 79.436 1.399 5.217 1.00 0.00 C ATOM 446 C ASP A 125 78.081 1.809 4.624 1.00 0.00 C ATOM 447 O ASP A 125 77.065 1.183 4.850 1.00 0.00 O ATOM 448 CB ASP A 125 80.195 0.493 4.249 1.00 0.00 C ATOM 449 CG ASP A 125 81.685 0.836 4.293 1.00 0.00 C ATOM 450 OD1 ASP A 125 82.010 1.920 4.749 1.00 0.00 O ATOM 451 OD2 ASP A 125 82.476 0.009 3.871 1.00 0.00 O ATOM 0 H ASP A 125 78.440 0.047 6.533 1.00 0.00 H new ATOM 0 HA ASP A 125 79.955 2.337 5.417 1.00 0.00 H new ATOM 0 HB2 ASP A 125 80.043 -0.552 4.518 1.00 0.00 H new ATOM 0 HB3 ASP A 125 79.811 0.621 3.237 1.00 0.00 H new ATOM 456 N CYS A 126 78.086 2.863 3.847 1.00 0.00 N ATOM 457 CA CYS A 126 76.840 3.362 3.190 1.00 0.00 C ATOM 458 C CYS A 126 77.240 4.328 2.079 1.00 0.00 C ATOM 459 O CYS A 126 78.197 5.064 2.209 1.00 0.00 O ATOM 460 CB CYS A 126 76.053 4.081 4.286 1.00 0.00 C ATOM 461 SG CYS A 126 74.390 4.460 3.681 1.00 0.00 S ATOM 0 H CYS A 126 78.921 3.410 3.636 1.00 0.00 H new ATOM 0 HA CYS A 126 76.240 2.567 2.748 1.00 0.00 H new ATOM 0 HB2 CYS A 126 75.994 3.456 5.177 1.00 0.00 H new ATOM 0 HB3 CYS A 126 76.565 4.999 4.574 1.00 0.00 H new ATOM 0 HG CYS A 126 74.455 5.418 2.804 1.00 0.00 H new ATOM 467 N THR A 127 76.557 4.308 0.970 1.00 0.00 N ATOM 468 CA THR A 127 76.974 5.206 -0.138 1.00 0.00 C ATOM 469 C THR A 127 75.791 5.619 -1.034 1.00 0.00 C ATOM 470 O THR A 127 74.730 5.027 -1.008 1.00 0.00 O ATOM 471 CB THR A 127 77.985 4.338 -0.902 1.00 0.00 C ATOM 472 OG1 THR A 127 79.300 4.660 -0.473 1.00 0.00 O ATOM 473 CG2 THR A 127 77.871 4.566 -2.406 1.00 0.00 C ATOM 0 H THR A 127 75.744 3.721 0.785 1.00 0.00 H new ATOM 0 HA THR A 127 77.384 6.153 0.212 1.00 0.00 H new ATOM 0 HB THR A 127 77.770 3.290 -0.694 1.00 0.00 H new ATOM 0 HG1 THR A 127 79.287 4.887 0.480 1.00 0.00 H new ATOM 0 HG21 THR A 127 78.597 3.940 -2.925 1.00 0.00 H new ATOM 0 HG22 THR A 127 76.866 4.307 -2.738 1.00 0.00 H new ATOM 0 HG23 THR A 127 78.069 5.614 -2.631 1.00 0.00 H new ATOM 481 N LEU A 128 76.005 6.617 -1.855 1.00 0.00 N ATOM 482 CA LEU A 128 74.949 7.080 -2.804 1.00 0.00 C ATOM 483 C LEU A 128 75.512 6.985 -4.223 1.00 0.00 C ATOM 484 O LEU A 128 76.559 7.527 -4.514 1.00 0.00 O ATOM 485 CB LEU A 128 74.666 8.543 -2.430 1.00 0.00 C ATOM 486 CG LEU A 128 73.923 9.256 -3.572 1.00 0.00 C ATOM 487 CD1 LEU A 128 74.919 9.685 -4.654 1.00 0.00 C ATOM 488 CD2 LEU A 128 72.881 8.318 -4.190 1.00 0.00 C ATOM 0 H LEU A 128 76.881 7.137 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 128 74.037 6.486 -2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 128 74.069 8.583 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 128 75.603 9.059 -2.220 1.00 0.00 H new ATOM 0 HG LEU A 128 73.422 10.135 -3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 128 74.386 10.189 -5.460 1.00 0.00 H new ATOM 0 HD12 LEU A 128 75.654 10.365 -4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 128 75.427 8.806 -5.050 1.00 0.00 H new ATOM 0 HD21 LEU A 128 72.361 8.833 -4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 128 73.378 7.432 -4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 128 72.162 8.020 -3.427 1.00 0.00 H new ATOM 500 N LYS A 129 74.856 6.283 -5.105 1.00 0.00 N ATOM 501 CA LYS A 129 75.408 6.150 -6.484 1.00 0.00 C ATOM 502 C LYS A 129 74.542 6.879 -7.515 1.00 0.00 C ATOM 503 O LYS A 129 73.318 6.846 -7.469 1.00 0.00 O ATOM 504 CB LYS A 129 75.423 4.648 -6.758 1.00 0.00 C ATOM 505 CG LYS A 129 76.872 4.162 -6.856 1.00 0.00 C ATOM 506 CD LYS A 129 77.606 4.460 -5.546 1.00 0.00 C ATOM 507 CE LYS A 129 79.118 4.369 -5.775 1.00 0.00 C ATOM 508 NZ LYS A 129 79.684 5.568 -5.095 1.00 0.00 N ATOM 0 H LYS A 129 73.973 5.801 -4.935 1.00 0.00 H new ATOM 0 HA LYS A 129 76.399 6.598 -6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 129 74.903 4.117 -5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 129 74.892 4.431 -7.685 1.00 0.00 H new ATOM 0 HG2 LYS A 129 76.894 3.092 -7.061 1.00 0.00 H new ATOM 0 HG3 LYS A 129 77.376 4.656 -7.687 1.00 0.00 H new ATOM 0 HD2 LYS A 129 77.341 5.454 -5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 129 77.301 3.751 -4.776 1.00 0.00 H new ATOM 0 HE2 LYS A 129 79.526 3.449 -5.357 1.00 0.00 H new ATOM 0 HE3 LYS A 129 79.357 4.369 -6.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 80.609 5.798 -5.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 79.039 6.374 -5.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 79.800 5.369 -4.081 1.00 0.00 H new ATOM 522 N LEU A 130 75.190 7.528 -8.453 1.00 0.00 N ATOM 523 CA LEU A 130 74.458 8.266 -9.521 1.00 0.00 C ATOM 524 C LEU A 130 74.620 7.544 -10.863 1.00 0.00 C ATOM 525 O LEU A 130 74.666 6.331 -10.924 1.00 0.00 O ATOM 526 CB LEU A 130 75.118 9.646 -9.583 1.00 0.00 C ATOM 527 CG LEU A 130 75.048 10.322 -8.215 1.00 0.00 C ATOM 528 CD1 LEU A 130 76.459 10.443 -7.637 1.00 0.00 C ATOM 529 CD2 LEU A 130 74.443 11.719 -8.374 1.00 0.00 C ATOM 0 H LEU A 130 76.207 7.576 -8.521 1.00 0.00 H new ATOM 0 HA LEU A 130 73.390 8.333 -9.314 1.00 0.00 H new ATOM 0 HB2 LEU A 130 76.157 9.547 -9.896 1.00 0.00 H new ATOM 0 HB3 LEU A 130 74.618 10.264 -10.329 1.00 0.00 H new ATOM 0 HG LEU A 130 74.428 9.728 -7.543 1.00 0.00 H new ATOM 0 HD11 LEU A 130 76.412 10.925 -6.661 1.00 0.00 H new ATOM 0 HD12 LEU A 130 76.895 9.450 -7.531 1.00 0.00 H new ATOM 0 HD13 LEU A 130 77.077 11.041 -8.307 1.00 0.00 H new ATOM 0 HD21 LEU A 130 74.391 12.206 -7.400 1.00 0.00 H new ATOM 0 HD22 LEU A 130 75.067 12.312 -9.043 1.00 0.00 H new ATOM 0 HD23 LEU A 130 73.440 11.636 -8.792 1.00 0.00 H new ATOM 541 N ASP A 131 74.708 8.280 -11.942 1.00 0.00 N ATOM 542 CA ASP A 131 74.869 7.632 -13.276 1.00 0.00 C ATOM 543 C ASP A 131 76.331 7.233 -13.495 1.00 0.00 C ATOM 544 O ASP A 131 77.222 8.053 -13.380 1.00 0.00 O ATOM 545 CB ASP A 131 74.444 8.695 -14.292 1.00 0.00 C ATOM 546 CG ASP A 131 72.924 8.658 -14.465 1.00 0.00 C ATOM 547 OD1 ASP A 131 72.349 7.604 -14.252 1.00 0.00 O ATOM 548 OD2 ASP A 131 72.361 9.686 -14.805 1.00 0.00 O ATOM 0 H ASP A 131 74.675 9.299 -11.956 1.00 0.00 H new ATOM 0 HA ASP A 131 74.274 6.724 -13.367 1.00 0.00 H new ATOM 0 HB2 ASP A 131 74.758 9.682 -13.954 1.00 0.00 H new ATOM 0 HB3 ASP A 131 74.934 8.515 -15.249 1.00 0.00 H new ATOM 553 N PRO A 132 76.530 5.978 -13.799 1.00 0.00 N ATOM 554 CA PRO A 132 77.899 5.456 -14.027 1.00 0.00 C ATOM 555 C PRO A 132 78.438 5.899 -15.394 1.00 0.00 C ATOM 556 O PRO A 132 79.624 5.837 -15.650 1.00 0.00 O ATOM 557 CB PRO A 132 77.716 3.942 -13.986 1.00 0.00 C ATOM 558 CG PRO A 132 76.284 3.710 -14.358 1.00 0.00 C ATOM 559 CD PRO A 132 75.508 4.937 -13.953 1.00 0.00 C ATOM 0 HA PRO A 132 78.616 5.820 -13.291 1.00 0.00 H new ATOM 0 HB2 PRO A 132 78.390 3.445 -14.684 1.00 0.00 H new ATOM 0 HB3 PRO A 132 77.935 3.546 -12.994 1.00 0.00 H new ATOM 0 HG2 PRO A 132 76.190 3.533 -15.429 1.00 0.00 H new ATOM 0 HG3 PRO A 132 75.895 2.826 -13.853 1.00 0.00 H new ATOM 0 HD2 PRO A 132 74.773 5.210 -14.710 1.00 0.00 H new ATOM 0 HD3 PRO A 132 74.963 4.774 -13.023 1.00 0.00 H new ATOM 567 N ILE A 133 77.580 6.340 -16.275 1.00 0.00 N ATOM 568 CA ILE A 133 78.058 6.778 -17.621 1.00 0.00 C ATOM 569 C ILE A 133 77.646 8.230 -17.887 1.00 0.00 C ATOM 570 O ILE A 133 78.369 8.986 -18.507 1.00 0.00 O ATOM 571 CB ILE A 133 77.378 5.823 -18.609 1.00 0.00 C ATOM 572 CG1 ILE A 133 78.163 5.807 -19.926 1.00 0.00 C ATOM 573 CG2 ILE A 133 75.934 6.269 -18.866 1.00 0.00 C ATOM 574 CD1 ILE A 133 77.822 7.049 -20.748 1.00 0.00 C ATOM 0 H ILE A 133 76.574 6.416 -16.123 1.00 0.00 H new ATOM 0 HA ILE A 133 79.144 6.745 -17.708 1.00 0.00 H new ATOM 0 HB ILE A 133 77.363 4.819 -18.184 1.00 0.00 H new ATOM 0 HG12 ILE A 133 79.233 5.778 -19.722 1.00 0.00 H new ATOM 0 HG13 ILE A 133 77.922 4.907 -20.493 1.00 0.00 H new ATOM 0 HG21 ILE A 133 75.461 5.583 -19.569 1.00 0.00 H new ATOM 0 HG22 ILE A 133 75.380 6.266 -17.927 1.00 0.00 H new ATOM 0 HG23 ILE A 133 75.933 7.275 -19.284 1.00 0.00 H new ATOM 0 HD11 ILE A 133 78.383 7.032 -21.683 1.00 0.00 H new ATOM 0 HD12 ILE A 133 76.754 7.059 -20.966 1.00 0.00 H new ATOM 0 HD13 ILE A 133 78.086 7.943 -20.183 1.00 0.00 H new ATOM 586 N THR A 134 76.491 8.623 -17.426 1.00 0.00 N ATOM 587 CA THR A 134 76.033 10.023 -17.654 1.00 0.00 C ATOM 588 C THR A 134 76.500 10.925 -16.507 1.00 0.00 C ATOM 589 O THR A 134 76.682 12.114 -16.674 1.00 0.00 O ATOM 590 CB THR A 134 74.504 9.942 -17.687 1.00 0.00 C ATOM 591 OG1 THR A 134 74.085 8.675 -17.199 1.00 0.00 O ATOM 592 CG2 THR A 134 74.013 10.125 -19.124 1.00 0.00 C ATOM 0 H THR A 134 75.844 8.035 -16.901 1.00 0.00 H new ATOM 0 HA THR A 134 76.437 10.445 -18.574 1.00 0.00 H new ATOM 0 HB THR A 134 74.086 10.728 -17.059 1.00 0.00 H new ATOM 0 HG1 THR A 134 73.107 8.624 -17.219 1.00 0.00 H new ATOM 0 HG21 THR A 134 72.925 10.067 -19.147 1.00 0.00 H new ATOM 0 HG22 THR A 134 74.333 11.098 -19.497 1.00 0.00 H new ATOM 0 HG23 THR A 134 74.431 9.340 -19.754 1.00 0.00 H new ATOM 600 N GLY A 135 76.696 10.366 -15.344 1.00 0.00 N ATOM 601 CA GLY A 135 77.153 11.190 -14.189 1.00 0.00 C ATOM 602 C GLY A 135 75.944 11.818 -13.489 1.00 0.00 C ATOM 603 O GLY A 135 76.031 12.253 -12.359 1.00 0.00 O ATOM 0 H GLY A 135 76.560 9.375 -15.144 1.00 0.00 H new ATOM 0 HA2 GLY A 135 77.710 10.570 -13.486 1.00 0.00 H new ATOM 0 HA3 GLY A 135 77.831 11.971 -14.533 1.00 0.00 H new ATOM 607 N ARG A 136 74.817 11.869 -14.150 1.00 0.00 N ATOM 608 CA ARG A 136 73.608 12.471 -13.513 1.00 0.00 C ATOM 609 C ARG A 136 73.054 11.535 -12.437 1.00 0.00 C ATOM 610 O ARG A 136 73.180 10.329 -12.523 1.00 0.00 O ATOM 611 CB ARG A 136 72.598 12.633 -14.651 1.00 0.00 C ATOM 612 CG ARG A 136 71.797 13.921 -14.443 1.00 0.00 C ATOM 613 CD ARG A 136 70.922 14.181 -15.673 1.00 0.00 C ATOM 614 NE ARG A 136 69.869 13.130 -15.622 1.00 0.00 N ATOM 615 CZ ARG A 136 68.762 13.284 -16.294 1.00 0.00 C ATOM 616 NH1 ARG A 136 67.815 14.047 -15.824 1.00 0.00 N ATOM 617 NH2 ARG A 136 68.604 12.676 -17.439 1.00 0.00 N ATOM 0 H ARG A 136 74.681 11.521 -15.099 1.00 0.00 H new ATOM 0 HA ARG A 136 73.830 13.420 -13.025 1.00 0.00 H new ATOM 0 HB2 ARG A 136 73.116 12.665 -15.609 1.00 0.00 H new ATOM 0 HB3 ARG A 136 71.926 11.775 -14.680 1.00 0.00 H new ATOM 0 HG2 ARG A 136 71.175 13.835 -13.552 1.00 0.00 H new ATOM 0 HG3 ARG A 136 72.473 14.760 -14.280 1.00 0.00 H new ATOM 0 HD2 ARG A 136 70.486 15.179 -15.644 1.00 0.00 H new ATOM 0 HD3 ARG A 136 71.503 14.114 -16.593 1.00 0.00 H new ATOM 0 HE ARG A 136 70.013 12.290 -15.062 1.00 0.00 H new ATOM 0 HH11 ARG A 136 67.940 14.523 -14.931 1.00 0.00 H new ATOM 0 HH12 ARG A 136 66.949 14.168 -16.350 1.00 0.00 H new ATOM 0 HH21 ARG A 136 69.346 12.081 -17.807 1.00 0.00 H new ATOM 0 HH22 ARG A 136 67.738 12.796 -17.965 1.00 0.00 H new ATOM 631 N SER A 137 72.441 12.080 -11.422 1.00 0.00 N ATOM 632 CA SER A 137 71.880 11.220 -10.341 1.00 0.00 C ATOM 633 C SER A 137 71.159 10.013 -10.942 1.00 0.00 C ATOM 634 O SER A 137 70.542 10.096 -11.987 1.00 0.00 O ATOM 635 CB SER A 137 70.890 12.111 -9.593 1.00 0.00 C ATOM 636 OG SER A 137 71.605 13.060 -8.815 1.00 0.00 O ATOM 0 H SER A 137 72.304 13.083 -11.294 1.00 0.00 H new ATOM 0 HA SER A 137 72.658 10.832 -9.683 1.00 0.00 H new ATOM 0 HB2 SER A 137 70.237 12.622 -10.301 1.00 0.00 H new ATOM 0 HB3 SER A 137 70.251 11.505 -8.951 1.00 0.00 H new ATOM 0 HG SER A 137 71.063 13.869 -8.707 1.00 0.00 H new ATOM 642 N ARG A 138 71.222 8.895 -10.279 1.00 0.00 N ATOM 643 CA ARG A 138 70.536 7.674 -10.785 1.00 0.00 C ATOM 644 C ARG A 138 69.469 7.256 -9.776 1.00 0.00 C ATOM 645 O ARG A 138 68.493 6.616 -10.112 1.00 0.00 O ATOM 646 CB ARG A 138 71.636 6.620 -10.899 1.00 0.00 C ATOM 647 CG ARG A 138 71.094 5.373 -11.602 1.00 0.00 C ATOM 648 CD ARG A 138 72.108 4.906 -12.649 1.00 0.00 C ATOM 649 NE ARG A 138 71.450 3.767 -13.346 1.00 0.00 N ATOM 650 CZ ARG A 138 71.112 2.700 -12.678 1.00 0.00 C ATOM 651 NH1 ARG A 138 71.888 2.251 -11.728 1.00 0.00 N ATOM 652 NH2 ARG A 138 70.000 2.080 -12.960 1.00 0.00 N ATOM 0 H ARG A 138 71.724 8.772 -9.400 1.00 0.00 H new ATOM 0 HA ARG A 138 70.038 7.823 -11.743 1.00 0.00 H new ATOM 0 HB2 ARG A 138 72.481 7.023 -11.456 1.00 0.00 H new ATOM 0 HB3 ARG A 138 72.004 6.358 -9.907 1.00 0.00 H new ATOM 0 HG2 ARG A 138 70.912 4.581 -10.875 1.00 0.00 H new ATOM 0 HG3 ARG A 138 70.138 5.595 -12.077 1.00 0.00 H new ATOM 0 HD2 ARG A 138 72.352 5.707 -13.347 1.00 0.00 H new ATOM 0 HD3 ARG A 138 73.042 4.595 -12.182 1.00 0.00 H new ATOM 0 HE ARG A 138 71.263 3.822 -14.347 1.00 0.00 H new ATOM 0 HH11 ARG A 138 72.758 2.735 -11.509 1.00 0.00 H new ATOM 0 HH12 ARG A 138 71.623 1.416 -11.205 1.00 0.00 H new ATOM 0 HH21 ARG A 138 69.395 2.430 -13.703 1.00 0.00 H new ATOM 0 HH22 ARG A 138 69.735 1.245 -12.438 1.00 0.00 H new ATOM 666 N GLY A 139 69.639 7.648 -8.544 1.00 0.00 N ATOM 667 CA GLY A 139 68.630 7.315 -7.507 1.00 0.00 C ATOM 668 C GLY A 139 68.949 5.984 -6.824 1.00 0.00 C ATOM 669 O GLY A 139 68.052 5.245 -6.471 1.00 0.00 O ATOM 0 H GLY A 139 70.438 8.187 -8.212 1.00 0.00 H new ATOM 0 HA2 GLY A 139 68.597 8.109 -6.761 1.00 0.00 H new ATOM 0 HA3 GLY A 139 67.641 7.264 -7.963 1.00 0.00 H new ATOM 673 N PHE A 140 70.199 5.658 -6.604 1.00 0.00 N ATOM 674 CA PHE A 140 70.475 4.365 -5.911 1.00 0.00 C ATOM 675 C PHE A 140 71.847 4.360 -5.240 1.00 0.00 C ATOM 676 O PHE A 140 72.864 4.603 -5.858 1.00 0.00 O ATOM 677 CB PHE A 140 70.379 3.280 -6.983 1.00 0.00 C ATOM 678 CG PHE A 140 71.652 3.213 -7.795 1.00 0.00 C ATOM 679 CD1 PHE A 140 71.908 4.174 -8.779 1.00 0.00 C ATOM 680 CD2 PHE A 140 72.571 2.180 -7.570 1.00 0.00 C ATOM 681 CE1 PHE A 140 73.082 4.104 -9.538 1.00 0.00 C ATOM 682 CE2 PHE A 140 73.746 2.109 -8.328 1.00 0.00 C ATOM 683 CZ PHE A 140 74.002 3.071 -9.314 1.00 0.00 C ATOM 0 H PHE A 140 71.015 6.211 -6.865 1.00 0.00 H new ATOM 0 HA PHE A 140 69.757 4.196 -5.109 1.00 0.00 H new ATOM 0 HB2 PHE A 140 70.191 2.314 -6.514 1.00 0.00 H new ATOM 0 HB3 PHE A 140 69.534 3.485 -7.640 1.00 0.00 H new ATOM 0 HD1 PHE A 140 71.199 4.970 -8.953 1.00 0.00 H new ATOM 0 HD2 PHE A 140 72.373 1.438 -6.811 1.00 0.00 H new ATOM 0 HE1 PHE A 140 73.279 4.847 -10.297 1.00 0.00 H new ATOM 0 HE2 PHE A 140 74.455 1.313 -8.153 1.00 0.00 H new ATOM 0 HZ PHE A 140 74.907 3.016 -9.901 1.00 0.00 H new ATOM 693 N GLY A 141 71.867 4.070 -3.967 1.00 0.00 N ATOM 694 CA GLY A 141 73.149 4.021 -3.216 1.00 0.00 C ATOM 695 C GLY A 141 73.311 2.620 -2.625 1.00 0.00 C ATOM 696 O GLY A 141 72.502 1.743 -2.862 1.00 0.00 O ATOM 0 H GLY A 141 71.037 3.863 -3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 141 73.984 4.252 -3.877 1.00 0.00 H new ATOM 0 HA3 GLY A 141 73.153 4.769 -2.423 1.00 0.00 H new ATOM 700 N PHE A 142 74.345 2.389 -1.865 1.00 0.00 N ATOM 701 CA PHE A 142 74.533 1.030 -1.284 1.00 0.00 C ATOM 702 C PHE A 142 74.611 1.094 0.243 1.00 0.00 C ATOM 703 O PHE A 142 74.775 2.146 0.827 1.00 0.00 O ATOM 704 CB PHE A 142 75.857 0.529 -1.867 1.00 0.00 C ATOM 705 CG PHE A 142 75.610 -0.124 -3.207 1.00 0.00 C ATOM 706 CD1 PHE A 142 75.051 0.617 -4.257 1.00 0.00 C ATOM 707 CD2 PHE A 142 75.942 -1.470 -3.398 1.00 0.00 C ATOM 708 CE1 PHE A 142 74.821 0.010 -5.497 1.00 0.00 C ATOM 709 CE2 PHE A 142 75.712 -2.077 -4.641 1.00 0.00 C ATOM 710 CZ PHE A 142 75.150 -1.336 -5.690 1.00 0.00 C ATOM 0 H PHE A 142 75.061 3.074 -1.623 1.00 0.00 H new ATOM 0 HA PHE A 142 73.700 0.369 -1.524 1.00 0.00 H new ATOM 0 HB2 PHE A 142 76.553 1.360 -1.980 1.00 0.00 H new ATOM 0 HB3 PHE A 142 76.319 -0.184 -1.184 1.00 0.00 H new ATOM 0 HD1 PHE A 142 74.798 1.656 -4.109 1.00 0.00 H new ATOM 0 HD2 PHE A 142 76.375 -2.040 -2.589 1.00 0.00 H new ATOM 0 HE1 PHE A 142 74.389 0.581 -6.306 1.00 0.00 H new ATOM 0 HE2 PHE A 142 75.968 -3.116 -4.790 1.00 0.00 H new ATOM 0 HZ PHE A 142 74.971 -1.804 -6.647 1.00 0.00 H new ATOM 720 N VAL A 143 74.496 -0.035 0.891 1.00 0.00 N ATOM 721 CA VAL A 143 74.566 -0.056 2.379 1.00 0.00 C ATOM 722 C VAL A 143 75.219 -1.355 2.846 1.00 0.00 C ATOM 723 O VAL A 143 74.977 -2.418 2.311 1.00 0.00 O ATOM 724 CB VAL A 143 73.107 0.041 2.852 1.00 0.00 C ATOM 725 CG1 VAL A 143 72.948 -0.610 4.230 1.00 0.00 C ATOM 726 CG2 VAL A 143 72.703 1.515 2.944 1.00 0.00 C ATOM 0 H VAL A 143 74.356 -0.945 0.452 1.00 0.00 H new ATOM 0 HA VAL A 143 75.165 0.759 2.785 1.00 0.00 H new ATOM 0 HB VAL A 143 72.469 -0.479 2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 143 71.909 -0.533 4.551 1.00 0.00 H new ATOM 0 HG12 VAL A 143 73.233 -1.660 4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 143 73.589 -0.100 4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 143 71.668 1.588 3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 143 73.352 2.026 3.655 1.00 0.00 H new ATOM 0 HG23 VAL A 143 72.801 1.981 1.963 1.00 0.00 H new ATOM 736 N LEU A 144 76.050 -1.267 3.840 1.00 0.00 N ATOM 737 CA LEU A 144 76.737 -2.477 4.356 1.00 0.00 C ATOM 738 C LEU A 144 76.528 -2.571 5.868 1.00 0.00 C ATOM 739 O LEU A 144 77.027 -1.759 6.624 1.00 0.00 O ATOM 740 CB LEU A 144 78.206 -2.242 4.018 1.00 0.00 C ATOM 741 CG LEU A 144 78.521 -2.855 2.651 1.00 0.00 C ATOM 742 CD1 LEU A 144 77.986 -1.944 1.543 1.00 0.00 C ATOM 743 CD2 LEU A 144 80.036 -3.005 2.498 1.00 0.00 C ATOM 0 H LEU A 144 76.285 -0.400 4.322 1.00 0.00 H new ATOM 0 HA LEU A 144 76.365 -3.407 3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 144 78.421 -1.173 4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 144 78.842 -2.687 4.783 1.00 0.00 H new ATOM 0 HG LEU A 144 78.047 -3.834 2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 144 78.211 -2.382 0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 144 76.907 -1.835 1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 144 78.458 -0.964 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 144 80.262 -3.441 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 144 80.508 -2.026 2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 144 80.419 -3.655 3.285 1.00 0.00 H new ATOM 755 N PHE A 145 75.781 -3.542 6.315 1.00 0.00 N ATOM 756 CA PHE A 145 75.526 -3.669 7.779 1.00 0.00 C ATOM 757 C PHE A 145 76.718 -4.318 8.480 1.00 0.00 C ATOM 758 O PHE A 145 77.444 -5.104 7.904 1.00 0.00 O ATOM 759 CB PHE A 145 74.286 -4.551 7.890 1.00 0.00 C ATOM 760 CG PHE A 145 73.061 -3.711 7.627 1.00 0.00 C ATOM 761 CD1 PHE A 145 72.641 -2.773 8.577 1.00 0.00 C ATOM 762 CD2 PHE A 145 72.352 -3.865 6.432 1.00 0.00 C ATOM 763 CE1 PHE A 145 71.508 -1.988 8.330 1.00 0.00 C ATOM 764 CE2 PHE A 145 71.220 -3.081 6.185 1.00 0.00 C ATOM 765 CZ PHE A 145 70.799 -2.141 7.134 1.00 0.00 C ATOM 0 H PHE A 145 75.337 -4.252 5.732 1.00 0.00 H new ATOM 0 HA PHE A 145 75.380 -2.699 8.254 1.00 0.00 H new ATOM 0 HB2 PHE A 145 74.342 -5.371 7.173 1.00 0.00 H new ATOM 0 HB3 PHE A 145 74.230 -4.998 8.882 1.00 0.00 H new ATOM 0 HD1 PHE A 145 73.190 -2.655 9.499 1.00 0.00 H new ATOM 0 HD2 PHE A 145 72.678 -4.589 5.700 1.00 0.00 H new ATOM 0 HE1 PHE A 145 71.182 -1.265 9.063 1.00 0.00 H new ATOM 0 HE2 PHE A 145 70.671 -3.201 5.263 1.00 0.00 H new ATOM 0 HZ PHE A 145 69.927 -1.534 6.942 1.00 0.00 H new ATOM 775 N LYS A 146 76.926 -3.986 9.723 1.00 0.00 N ATOM 776 CA LYS A 146 78.074 -4.574 10.471 1.00 0.00 C ATOM 777 C LYS A 146 77.784 -6.027 10.864 1.00 0.00 C ATOM 778 O LYS A 146 78.689 -6.784 11.158 1.00 0.00 O ATOM 779 CB LYS A 146 78.222 -3.704 11.720 1.00 0.00 C ATOM 780 CG LYS A 146 79.272 -4.317 12.649 1.00 0.00 C ATOM 781 CD LYS A 146 79.364 -3.490 13.933 1.00 0.00 C ATOM 782 CE LYS A 146 79.881 -4.370 15.074 1.00 0.00 C ATOM 783 NZ LYS A 146 78.659 -4.823 15.796 1.00 0.00 N ATOM 0 H LYS A 146 76.351 -3.333 10.255 1.00 0.00 H new ATOM 0 HA LYS A 146 78.983 -4.590 9.869 1.00 0.00 H new ATOM 0 HB2 LYS A 146 78.516 -2.693 11.439 1.00 0.00 H new ATOM 0 HB3 LYS A 146 77.265 -3.626 12.237 1.00 0.00 H new ATOM 0 HG2 LYS A 146 79.006 -5.347 12.886 1.00 0.00 H new ATOM 0 HG3 LYS A 146 80.241 -4.344 12.151 1.00 0.00 H new ATOM 0 HD2 LYS A 146 80.031 -2.641 13.784 1.00 0.00 H new ATOM 0 HD3 LYS A 146 78.385 -3.085 14.188 1.00 0.00 H new ATOM 0 HE2 LYS A 146 80.450 -5.217 14.692 1.00 0.00 H new ATOM 0 HE3 LYS A 146 80.545 -3.811 15.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 78.933 -5.432 16.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 78.141 -3.996 16.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 78.049 -5.358 15.145 1.00 0.00 H new ATOM 797 N GLU A 147 76.541 -6.430 10.884 1.00 0.00 N ATOM 798 CA GLU A 147 76.240 -7.838 11.274 1.00 0.00 C ATOM 799 C GLU A 147 75.154 -8.438 10.378 1.00 0.00 C ATOM 800 O GLU A 147 74.368 -7.736 9.772 1.00 0.00 O ATOM 801 CB GLU A 147 75.753 -7.743 12.718 1.00 0.00 C ATOM 802 CG GLU A 147 75.866 -9.113 13.389 1.00 0.00 C ATOM 803 CD GLU A 147 74.673 -9.322 14.322 1.00 0.00 C ATOM 804 OE1 GLU A 147 73.632 -8.744 14.054 1.00 0.00 O ATOM 805 OE2 GLU A 147 74.821 -10.052 15.288 1.00 0.00 O ATOM 0 H GLU A 147 75.732 -5.855 10.651 1.00 0.00 H new ATOM 0 HA GLU A 147 77.111 -8.485 11.170 1.00 0.00 H new ATOM 0 HB2 GLU A 147 76.345 -7.009 13.265 1.00 0.00 H new ATOM 0 HB3 GLU A 147 74.719 -7.399 12.742 1.00 0.00 H new ATOM 0 HG2 GLU A 147 75.893 -9.899 12.634 1.00 0.00 H new ATOM 0 HG3 GLU A 147 76.797 -9.179 13.951 1.00 0.00 H new ATOM 812 N SER A 148 75.100 -9.741 10.297 1.00 0.00 N ATOM 813 CA SER A 148 74.060 -10.389 9.452 1.00 0.00 C ATOM 814 C SER A 148 72.683 -10.147 10.066 1.00 0.00 C ATOM 815 O SER A 148 71.725 -9.854 9.378 1.00 0.00 O ATOM 816 CB SER A 148 74.405 -11.877 9.466 1.00 0.00 C ATOM 817 OG SER A 148 73.760 -12.501 10.569 1.00 0.00 O ATOM 0 H SER A 148 75.730 -10.382 10.779 1.00 0.00 H new ATOM 0 HA SER A 148 74.036 -9.994 8.436 1.00 0.00 H new ATOM 0 HB2 SER A 148 74.088 -12.344 8.533 1.00 0.00 H new ATOM 0 HB3 SER A 148 75.484 -12.011 9.539 1.00 0.00 H new ATOM 0 HG SER A 148 73.979 -13.456 10.578 1.00 0.00 H new ATOM 823 N GLU A 149 72.579 -10.254 11.363 1.00 0.00 N ATOM 824 CA GLU A 149 71.266 -10.017 12.021 1.00 0.00 C ATOM 825 C GLU A 149 70.763 -8.616 11.663 1.00 0.00 C ATOM 826 O GLU A 149 69.678 -8.450 11.142 1.00 0.00 O ATOM 827 CB GLU A 149 71.540 -10.131 13.522 1.00 0.00 C ATOM 828 CG GLU A 149 70.508 -11.064 14.160 1.00 0.00 C ATOM 829 CD GLU A 149 69.529 -10.245 15.005 1.00 0.00 C ATOM 830 OE1 GLU A 149 69.990 -9.464 15.820 1.00 0.00 O ATOM 831 OE2 GLU A 149 68.335 -10.413 14.820 1.00 0.00 O ATOM 0 H GLU A 149 73.345 -10.495 11.992 1.00 0.00 H new ATOM 0 HA GLU A 149 70.502 -10.727 11.703 1.00 0.00 H new ATOM 0 HB2 GLU A 149 72.546 -10.515 13.691 1.00 0.00 H new ATOM 0 HB3 GLU A 149 71.492 -9.146 13.987 1.00 0.00 H new ATOM 0 HG2 GLU A 149 69.968 -11.609 13.386 1.00 0.00 H new ATOM 0 HG3 GLU A 149 71.009 -11.806 14.782 1.00 0.00 H new ATOM 838 N SER A 150 71.548 -7.604 11.924 1.00 0.00 N ATOM 839 CA SER A 150 71.106 -6.222 11.577 1.00 0.00 C ATOM 840 C SER A 150 70.524 -6.218 10.160 1.00 0.00 C ATOM 841 O SER A 150 69.481 -5.641 9.901 1.00 0.00 O ATOM 842 CB SER A 150 72.369 -5.357 11.653 1.00 0.00 C ATOM 843 OG SER A 150 73.467 -6.056 11.078 1.00 0.00 O ATOM 0 H SER A 150 72.468 -7.673 12.359 1.00 0.00 H new ATOM 0 HA SER A 150 70.333 -5.847 12.248 1.00 0.00 H new ATOM 0 HB2 SER A 150 72.209 -4.416 11.126 1.00 0.00 H new ATOM 0 HB3 SER A 150 72.588 -5.108 12.691 1.00 0.00 H new ATOM 0 HG SER A 150 73.139 -6.854 10.613 1.00 0.00 H new ATOM 849 N VAL A 151 71.183 -6.872 9.241 1.00 0.00 N ATOM 850 CA VAL A 151 70.661 -6.918 7.847 1.00 0.00 C ATOM 851 C VAL A 151 69.259 -7.528 7.838 1.00 0.00 C ATOM 852 O VAL A 151 68.346 -6.999 7.237 1.00 0.00 O ATOM 853 CB VAL A 151 71.640 -7.808 7.084 1.00 0.00 C ATOM 854 CG1 VAL A 151 71.338 -7.728 5.587 1.00 0.00 C ATOM 855 CG2 VAL A 151 73.067 -7.325 7.343 1.00 0.00 C ATOM 0 H VAL A 151 72.057 -7.374 9.396 1.00 0.00 H new ATOM 0 HA VAL A 151 70.583 -5.928 7.398 1.00 0.00 H new ATOM 0 HB VAL A 151 71.537 -8.840 7.420 1.00 0.00 H new ATOM 0 HG11 VAL A 151 72.036 -8.363 5.041 1.00 0.00 H new ATOM 0 HG12 VAL A 151 70.319 -8.067 5.403 1.00 0.00 H new ATOM 0 HG13 VAL A 151 71.444 -6.697 5.249 1.00 0.00 H new ATOM 0 HG21 VAL A 151 73.769 -7.958 6.800 1.00 0.00 H new ATOM 0 HG22 VAL A 151 73.170 -6.294 7.003 1.00 0.00 H new ATOM 0 HG23 VAL A 151 73.281 -7.378 8.410 1.00 0.00 H new ATOM 865 N ASP A 152 69.075 -8.638 8.505 1.00 0.00 N ATOM 866 CA ASP A 152 67.724 -9.266 8.533 1.00 0.00 C ATOM 867 C ASP A 152 66.713 -8.276 9.117 1.00 0.00 C ATOM 868 O ASP A 152 65.572 -8.218 8.704 1.00 0.00 O ATOM 869 CB ASP A 152 67.874 -10.517 9.418 1.00 0.00 C ATOM 870 CG ASP A 152 67.614 -10.178 10.893 1.00 0.00 C ATOM 871 OD1 ASP A 152 66.519 -9.732 11.197 1.00 0.00 O ATOM 872 OD2 ASP A 152 68.509 -10.382 11.694 1.00 0.00 O ATOM 0 H ASP A 152 69.798 -9.133 9.028 1.00 0.00 H new ATOM 0 HA ASP A 152 67.361 -9.536 7.542 1.00 0.00 H new ATOM 0 HB2 ASP A 152 67.176 -11.286 9.089 1.00 0.00 H new ATOM 0 HB3 ASP A 152 68.877 -10.928 9.306 1.00 0.00 H new ATOM 877 N LYS A 153 67.133 -7.491 10.072 1.00 0.00 N ATOM 878 CA LYS A 153 66.206 -6.497 10.681 1.00 0.00 C ATOM 879 C LYS A 153 65.775 -5.482 9.622 1.00 0.00 C ATOM 880 O LYS A 153 64.701 -4.921 9.687 1.00 0.00 O ATOM 881 CB LYS A 153 67.018 -5.818 11.784 1.00 0.00 C ATOM 882 CG LYS A 153 67.003 -6.693 13.038 1.00 0.00 C ATOM 883 CD LYS A 153 65.738 -6.403 13.847 1.00 0.00 C ATOM 884 CE LYS A 153 65.973 -6.778 15.312 1.00 0.00 C ATOM 885 NZ LYS A 153 65.320 -5.692 16.094 1.00 0.00 N ATOM 0 H LYS A 153 68.078 -7.496 10.456 1.00 0.00 H new ATOM 0 HA LYS A 153 65.299 -6.955 11.076 1.00 0.00 H new ATOM 0 HB2 LYS A 153 68.043 -5.659 11.450 1.00 0.00 H new ATOM 0 HB3 LYS A 153 66.600 -4.837 12.007 1.00 0.00 H new ATOM 0 HG2 LYS A 153 67.036 -7.746 12.760 1.00 0.00 H new ATOM 0 HG3 LYS A 153 67.888 -6.495 13.643 1.00 0.00 H new ATOM 0 HD2 LYS A 153 65.477 -5.348 13.768 1.00 0.00 H new ATOM 0 HD3 LYS A 153 64.898 -6.970 13.445 1.00 0.00 H new ATOM 0 HE2 LYS A 153 65.538 -7.750 15.546 1.00 0.00 H new ATOM 0 HE3 LYS A 153 67.037 -6.842 15.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 65.438 -5.877 17.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 65.759 -4.780 15.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 64.306 -5.659 15.863 1.00 0.00 H new ATOM 899 N VAL A 154 66.608 -5.244 8.645 1.00 0.00 N ATOM 900 CA VAL A 154 66.241 -4.268 7.577 1.00 0.00 C ATOM 901 C VAL A 154 65.493 -4.985 6.451 1.00 0.00 C ATOM 902 O VAL A 154 64.605 -4.434 5.832 1.00 0.00 O ATOM 903 CB VAL A 154 67.569 -3.704 7.055 1.00 0.00 C ATOM 904 CG1 VAL A 154 67.309 -2.391 6.313 1.00 0.00 C ATOM 905 CG2 VAL A 154 68.524 -3.441 8.223 1.00 0.00 C ATOM 0 H VAL A 154 67.524 -5.681 8.540 1.00 0.00 H new ATOM 0 HA VAL A 154 65.590 -3.479 7.954 1.00 0.00 H new ATOM 0 HB VAL A 154 68.020 -4.429 6.378 1.00 0.00 H new ATOM 0 HG11 VAL A 154 68.252 -1.990 5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 154 66.637 -2.574 5.474 1.00 0.00 H new ATOM 0 HG13 VAL A 154 66.852 -1.673 6.994 1.00 0.00 H new ATOM 0 HG21 VAL A 154 69.464 -3.041 7.842 1.00 0.00 H new ATOM 0 HG22 VAL A 154 68.074 -2.721 8.906 1.00 0.00 H new ATOM 0 HG23 VAL A 154 68.716 -4.374 8.753 1.00 0.00 H new ATOM 915 N MET A 155 65.846 -6.211 6.183 1.00 0.00 N ATOM 916 CA MET A 155 65.157 -6.962 5.095 1.00 0.00 C ATOM 917 C MET A 155 63.747 -7.366 5.532 1.00 0.00 C ATOM 918 O MET A 155 62.823 -7.371 4.745 1.00 0.00 O ATOM 919 CB MET A 155 66.019 -8.202 4.861 1.00 0.00 C ATOM 920 CG MET A 155 65.972 -8.582 3.381 1.00 0.00 C ATOM 921 SD MET A 155 67.415 -9.593 2.970 1.00 0.00 S ATOM 922 CE MET A 155 66.533 -11.150 2.703 1.00 0.00 C ATOM 0 H MET A 155 66.581 -6.725 6.669 1.00 0.00 H new ATOM 0 HA MET A 155 65.047 -6.363 4.191 1.00 0.00 H new ATOM 0 HB2 MET A 155 67.047 -8.006 5.165 1.00 0.00 H new ATOM 0 HB3 MET A 155 65.658 -9.030 5.472 1.00 0.00 H new ATOM 0 HG2 MET A 155 65.056 -9.132 3.165 1.00 0.00 H new ATOM 0 HG3 MET A 155 65.957 -7.683 2.764 1.00 0.00 H new ATOM 0 HE1 MET A 155 67.245 -11.930 2.433 1.00 0.00 H new ATOM 0 HE2 MET A 155 66.012 -11.435 3.617 1.00 0.00 H new ATOM 0 HE3 MET A 155 65.810 -11.025 1.897 1.00 0.00 H new ATOM 932 N ASP A 156 63.572 -7.711 6.780 1.00 0.00 N ATOM 933 CA ASP A 156 62.218 -8.118 7.253 1.00 0.00 C ATOM 934 C ASP A 156 61.157 -7.152 6.718 1.00 0.00 C ATOM 935 O ASP A 156 60.018 -7.522 6.510 1.00 0.00 O ATOM 936 CB ASP A 156 62.287 -8.050 8.781 1.00 0.00 C ATOM 937 CG ASP A 156 62.509 -6.603 9.222 1.00 0.00 C ATOM 938 OD1 ASP A 156 62.993 -5.828 8.414 1.00 0.00 O ATOM 939 OD2 ASP A 156 62.191 -6.295 10.358 1.00 0.00 O ATOM 0 H ASP A 156 64.305 -7.728 7.489 1.00 0.00 H new ATOM 0 HA ASP A 156 61.944 -9.114 6.905 1.00 0.00 H new ATOM 0 HB2 ASP A 156 61.364 -8.435 9.214 1.00 0.00 H new ATOM 0 HB3 ASP A 156 63.098 -8.680 9.147 1.00 0.00 H new ATOM 944 N GLN A 157 61.518 -5.917 6.494 1.00 0.00 N ATOM 945 CA GLN A 157 60.519 -4.938 5.972 1.00 0.00 C ATOM 946 C GLN A 157 61.141 -4.078 4.869 1.00 0.00 C ATOM 947 O GLN A 157 61.827 -3.113 5.138 1.00 0.00 O ATOM 948 CB GLN A 157 60.152 -4.070 7.176 1.00 0.00 C ATOM 949 CG GLN A 157 59.196 -4.836 8.091 1.00 0.00 C ATOM 950 CD GLN A 157 59.900 -5.154 9.413 1.00 0.00 C ATOM 951 OE1 GLN A 157 59.865 -6.275 9.879 1.00 0.00 O ATOM 952 NE2 GLN A 157 60.541 -4.206 10.040 1.00 0.00 N ATOM 0 H GLN A 157 62.455 -5.545 6.648 1.00 0.00 H new ATOM 0 HA GLN A 157 59.649 -5.431 5.538 1.00 0.00 H new ATOM 0 HB2 GLN A 157 61.052 -3.793 7.725 1.00 0.00 H new ATOM 0 HB3 GLN A 157 59.686 -3.144 6.840 1.00 0.00 H new ATOM 0 HG2 GLN A 157 58.300 -4.243 8.277 1.00 0.00 H new ATOM 0 HG3 GLN A 157 58.873 -5.758 7.607 1.00 0.00 H new ATOM 0 HE21 GLN A 157 60.570 -3.265 9.648 1.00 0.00 H new ATOM 0 HE22 GLN A 157 61.013 -4.406 10.922 1.00 0.00 H new ATOM 961 N LYS A 158 60.901 -4.408 3.628 1.00 0.00 N ATOM 962 CA LYS A 158 61.482 -3.586 2.530 1.00 0.00 C ATOM 963 C LYS A 158 60.557 -2.422 2.210 1.00 0.00 C ATOM 964 O LYS A 158 60.762 -1.690 1.261 1.00 0.00 O ATOM 965 CB LYS A 158 61.642 -4.529 1.333 1.00 0.00 C ATOM 966 CG LYS A 158 60.285 -4.769 0.664 1.00 0.00 C ATOM 967 CD LYS A 158 60.346 -4.295 -0.792 1.00 0.00 C ATOM 968 CE LYS A 158 60.148 -5.491 -1.729 1.00 0.00 C ATOM 969 NZ LYS A 158 58.870 -5.212 -2.441 1.00 0.00 N ATOM 0 H LYS A 158 60.334 -5.202 3.330 1.00 0.00 H new ATOM 0 HA LYS A 158 62.444 -3.153 2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 158 62.340 -4.100 0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 158 62.066 -5.478 1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 158 60.030 -5.828 0.703 1.00 0.00 H new ATOM 0 HG3 LYS A 158 59.502 -4.232 1.200 1.00 0.00 H new ATOM 0 HD2 LYS A 158 59.576 -3.546 -0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 158 61.306 -3.819 -0.991 1.00 0.00 H new ATOM 0 HE2 LYS A 158 60.978 -5.586 -2.429 1.00 0.00 H new ATOM 0 HE3 LYS A 158 60.093 -6.426 -1.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 58.665 -5.988 -3.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 58.097 -5.133 -1.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 58.954 -4.320 -2.969 1.00 0.00 H new ATOM 983 N GLU A 159 59.573 -2.210 3.030 1.00 0.00 N ATOM 984 CA GLU A 159 58.677 -1.056 2.807 1.00 0.00 C ATOM 985 C GLU A 159 59.305 0.121 3.526 1.00 0.00 C ATOM 986 O GLU A 159 58.825 0.590 4.539 1.00 0.00 O ATOM 987 CB GLU A 159 57.360 -1.422 3.456 1.00 0.00 C ATOM 988 CG GLU A 159 56.544 -2.313 2.517 1.00 0.00 C ATOM 989 CD GLU A 159 57.151 -3.717 2.487 1.00 0.00 C ATOM 990 OE1 GLU A 159 57.833 -4.065 3.435 1.00 0.00 O ATOM 991 OE2 GLU A 159 56.921 -4.420 1.516 1.00 0.00 O ATOM 0 H GLU A 159 59.353 -2.786 3.843 1.00 0.00 H new ATOM 0 HA GLU A 159 58.527 -0.811 1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 159 57.541 -1.941 4.397 1.00 0.00 H new ATOM 0 HB3 GLU A 159 56.798 -0.518 3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 159 55.508 -2.361 2.853 1.00 0.00 H new ATOM 0 HG3 GLU A 159 56.534 -1.888 1.513 1.00 0.00 H new ATOM 998 N HIS A 160 60.408 0.559 3.022 1.00 0.00 N ATOM 999 CA HIS A 160 61.140 1.672 3.676 1.00 0.00 C ATOM 1000 C HIS A 160 60.605 3.020 3.199 1.00 0.00 C ATOM 1001 O HIS A 160 59.579 3.103 2.553 1.00 0.00 O ATOM 1002 CB HIS A 160 62.589 1.516 3.225 1.00 0.00 C ATOM 1003 CG HIS A 160 63.243 0.408 3.994 1.00 0.00 C ATOM 1004 ND1 HIS A 160 64.118 0.646 5.061 1.00 0.00 N ATOM 1005 CD2 HIS A 160 63.170 -0.953 3.859 1.00 0.00 C ATOM 1006 CE1 HIS A 160 64.532 -0.554 5.519 1.00 0.00 C ATOM 1007 NE2 HIS A 160 63.977 -1.530 4.816 1.00 0.00 N ATOM 0 H HIS A 160 60.844 0.194 2.175 1.00 0.00 H new ATOM 0 HA HIS A 160 61.030 1.640 4.760 1.00 0.00 H new ATOM 0 HB2 HIS A 160 62.626 1.301 2.157 1.00 0.00 H new ATOM 0 HB3 HIS A 160 63.131 2.449 3.381 1.00 0.00 H new ATOM 0 HD2 HIS A 160 62.580 -1.484 3.127 1.00 0.00 H new ATOM 0 HE1 HIS A 160 65.218 -0.698 6.341 1.00 0.00 H new ATOM 0 HE2 HIS A 160 64.121 -2.530 4.958 1.00 0.00 H new ATOM 1015 N LYS A 161 61.296 4.078 3.512 1.00 0.00 N ATOM 1016 CA LYS A 161 60.837 5.424 3.077 1.00 0.00 C ATOM 1017 C LYS A 161 61.786 6.499 3.611 1.00 0.00 C ATOM 1018 O LYS A 161 61.459 7.235 4.520 1.00 0.00 O ATOM 1019 CB LYS A 161 59.441 5.583 3.685 1.00 0.00 C ATOM 1020 CG LYS A 161 59.000 7.046 3.590 1.00 0.00 C ATOM 1021 CD LYS A 161 57.806 7.157 2.643 1.00 0.00 C ATOM 1022 CE LYS A 161 58.307 7.376 1.214 1.00 0.00 C ATOM 1023 NZ LYS A 161 57.242 6.809 0.343 1.00 0.00 N ATOM 0 H LYS A 161 62.161 4.069 4.052 1.00 0.00 H new ATOM 0 HA LYS A 161 60.819 5.527 1.992 1.00 0.00 H new ATOM 0 HB2 LYS A 161 58.730 4.944 3.160 1.00 0.00 H new ATOM 0 HB3 LYS A 161 59.449 5.262 4.727 1.00 0.00 H new ATOM 0 HG2 LYS A 161 58.731 7.421 4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 161 59.823 7.662 3.229 1.00 0.00 H new ATOM 0 HD2 LYS A 161 57.203 6.251 2.693 1.00 0.00 H new ATOM 0 HD3 LYS A 161 57.164 7.984 2.945 1.00 0.00 H new ATOM 0 HE2 LYS A 161 58.463 8.435 1.008 1.00 0.00 H new ATOM 0 HE3 LYS A 161 59.261 6.875 1.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 57.513 6.922 -0.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 57.120 5.799 0.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 56.348 7.310 0.517 1.00 0.00 H new ATOM 1037 N LEU A 162 62.959 6.595 3.050 1.00 0.00 N ATOM 1038 CA LEU A 162 63.925 7.624 3.521 1.00 0.00 C ATOM 1039 C LEU A 162 64.090 8.708 2.455 1.00 0.00 C ATOM 1040 O LEU A 162 63.927 8.461 1.276 1.00 0.00 O ATOM 1041 CB LEU A 162 65.237 6.866 3.740 1.00 0.00 C ATOM 1042 CG LEU A 162 65.785 6.384 2.395 1.00 0.00 C ATOM 1043 CD1 LEU A 162 66.911 7.314 1.939 1.00 0.00 C ATOM 1044 CD2 LEU A 162 66.330 4.960 2.549 1.00 0.00 C ATOM 0 H LEU A 162 63.290 6.005 2.286 1.00 0.00 H new ATOM 0 HA LEU A 162 63.595 8.124 4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 162 65.965 7.513 4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 162 65.071 6.016 4.402 1.00 0.00 H new ATOM 0 HG LEU A 162 64.986 6.391 1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 162 67.301 6.970 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 162 66.525 8.327 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 162 67.711 7.308 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 162 66.721 4.615 1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 162 67.129 4.954 3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 162 65.528 4.297 2.874 1.00 0.00 H new ATOM 1056 N ASN A 163 64.403 9.910 2.856 1.00 0.00 N ATOM 1057 CA ASN A 163 64.565 11.006 1.859 1.00 0.00 C ATOM 1058 C ASN A 163 63.236 11.259 1.144 1.00 0.00 C ATOM 1059 O ASN A 163 63.189 11.858 0.089 1.00 0.00 O ATOM 1060 CB ASN A 163 65.615 10.493 0.871 1.00 0.00 C ATOM 1061 CG ASN A 163 66.910 11.293 1.035 1.00 0.00 C ATOM 1062 OD1 ASN A 163 67.627 11.511 0.080 1.00 0.00 O ATOM 1063 ND2 ASN A 163 67.240 11.743 2.215 1.00 0.00 N ATOM 0 H ASN A 163 64.553 10.180 3.828 1.00 0.00 H new ATOM 0 HA ASN A 163 64.867 11.946 2.320 1.00 0.00 H new ATOM 0 HB2 ASN A 163 65.806 9.434 1.045 1.00 0.00 H new ATOM 0 HB3 ASN A 163 65.245 10.587 -0.150 1.00 0.00 H new ATOM 0 HD21 ASN A 163 68.100 12.278 2.335 1.00 0.00 H new ATOM 0 HD22 ASN A 163 66.638 11.560 3.017 1.00 0.00 H new ATOM 1070 N GLY A 164 62.153 10.803 1.715 1.00 0.00 N ATOM 1071 CA GLY A 164 60.826 11.012 1.072 1.00 0.00 C ATOM 1072 C GLY A 164 60.677 10.056 -0.112 1.00 0.00 C ATOM 1073 O GLY A 164 59.941 10.317 -1.042 1.00 0.00 O ATOM 0 H GLY A 164 62.131 10.295 2.599 1.00 0.00 H new ATOM 0 HA2 GLY A 164 60.029 10.840 1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 164 60.732 12.044 0.734 1.00 0.00 H new ATOM 1077 N LYS A 165 61.374 8.952 -0.090 1.00 0.00 N ATOM 1078 CA LYS A 165 61.272 7.989 -1.223 1.00 0.00 C ATOM 1079 C LYS A 165 61.503 6.555 -0.736 1.00 0.00 C ATOM 1080 O LYS A 165 62.169 6.324 0.255 1.00 0.00 O ATOM 1081 CB LYS A 165 62.378 8.406 -2.191 1.00 0.00 C ATOM 1082 CG LYS A 165 61.771 8.715 -3.560 1.00 0.00 C ATOM 1083 CD LYS A 165 62.612 9.784 -4.259 1.00 0.00 C ATOM 1084 CE LYS A 165 62.100 9.982 -5.689 1.00 0.00 C ATOM 1085 NZ LYS A 165 60.636 10.210 -5.545 1.00 0.00 N ATOM 0 H LYS A 165 62.007 8.676 0.661 1.00 0.00 H new ATOM 0 HA LYS A 165 60.286 8.007 -1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 165 62.900 9.283 -1.807 1.00 0.00 H new ATOM 0 HB3 LYS A 165 63.116 7.609 -2.281 1.00 0.00 H new ATOM 0 HG2 LYS A 165 61.735 7.810 -4.167 1.00 0.00 H new ATOM 0 HG3 LYS A 165 60.744 9.062 -3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 165 62.557 10.723 -3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 165 63.660 9.485 -4.275 1.00 0.00 H new ATOM 0 HE2 LYS A 165 62.587 10.831 -6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 165 62.305 9.107 -6.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 60.281 10.724 -6.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 60.148 9.295 -5.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 60.455 10.771 -4.688 1.00 0.00 H new ATOM 1099 N VAL A 166 60.964 5.591 -1.433 1.00 0.00 N ATOM 1100 CA VAL A 166 61.158 4.170 -1.021 1.00 0.00 C ATOM 1101 C VAL A 166 62.479 3.644 -1.589 1.00 0.00 C ATOM 1102 O VAL A 166 63.091 4.267 -2.435 1.00 0.00 O ATOM 1103 CB VAL A 166 59.971 3.417 -1.624 1.00 0.00 C ATOM 1104 CG1 VAL A 166 60.263 1.916 -1.625 1.00 0.00 C ATOM 1105 CG2 VAL A 166 58.718 3.689 -0.787 1.00 0.00 C ATOM 0 H VAL A 166 60.397 5.726 -2.270 1.00 0.00 H new ATOM 0 HA VAL A 166 61.203 4.049 0.061 1.00 0.00 H new ATOM 0 HB VAL A 166 59.809 3.756 -2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 166 59.416 1.381 -2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 166 61.156 1.719 -2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 166 60.425 1.576 -0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 166 57.871 3.153 -1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 166 58.883 3.349 0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 166 58.507 4.758 -0.785 1.00 0.00 H new ATOM 1115 N ILE A 167 62.931 2.511 -1.127 1.00 0.00 N ATOM 1116 CA ILE A 167 64.225 1.962 -1.644 1.00 0.00 C ATOM 1117 C ILE A 167 64.099 0.476 -1.979 1.00 0.00 C ATOM 1118 O ILE A 167 63.090 -0.155 -1.729 1.00 0.00 O ATOM 1119 CB ILE A 167 65.248 2.136 -0.511 1.00 0.00 C ATOM 1120 CG1 ILE A 167 64.544 2.091 0.849 1.00 0.00 C ATOM 1121 CG2 ILE A 167 65.978 3.467 -0.670 1.00 0.00 C ATOM 1122 CD1 ILE A 167 65.555 1.755 1.945 1.00 0.00 C ATOM 0 H ILE A 167 62.467 1.942 -0.419 1.00 0.00 H new ATOM 0 HA ILE A 167 64.521 2.482 -2.555 1.00 0.00 H new ATOM 0 HB ILE A 167 65.971 1.322 -0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 167 64.074 3.052 1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 167 63.750 1.345 0.833 1.00 0.00 H new ATOM 0 HG21 ILE A 167 66.702 3.584 0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 167 66.497 3.485 -1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 167 65.257 4.284 -0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 167 65.049 1.724 2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 167 66.004 0.783 1.740 1.00 0.00 H new ATOM 0 HD13 ILE A 167 66.334 2.517 1.968 1.00 0.00 H new ATOM 1134 N ASP A 168 65.143 -0.083 -2.523 1.00 0.00 N ATOM 1135 CA ASP A 168 65.144 -1.530 -2.865 1.00 0.00 C ATOM 1136 C ASP A 168 66.272 -2.208 -2.090 1.00 0.00 C ATOM 1137 O ASP A 168 67.394 -2.275 -2.556 1.00 0.00 O ATOM 1138 CB ASP A 168 65.410 -1.587 -4.371 1.00 0.00 C ATOM 1139 CG ASP A 168 65.031 -2.969 -4.907 1.00 0.00 C ATOM 1140 OD1 ASP A 168 64.170 -3.598 -4.314 1.00 0.00 O ATOM 1141 OD2 ASP A 168 65.607 -3.375 -5.904 1.00 0.00 O ATOM 0 H ASP A 168 66.007 0.410 -2.748 1.00 0.00 H new ATOM 0 HA ASP A 168 64.211 -2.034 -2.613 1.00 0.00 H new ATOM 0 HB2 ASP A 168 64.832 -0.817 -4.882 1.00 0.00 H new ATOM 0 HB3 ASP A 168 66.462 -1.383 -4.573 1.00 0.00 H new ATOM 1146 N PRO A 169 65.939 -2.662 -0.913 1.00 0.00 N ATOM 1147 CA PRO A 169 66.937 -3.318 -0.035 1.00 0.00 C ATOM 1148 C PRO A 169 67.279 -4.720 -0.549 1.00 0.00 C ATOM 1149 O PRO A 169 66.428 -5.581 -0.655 1.00 0.00 O ATOM 1150 CB PRO A 169 66.231 -3.391 1.316 1.00 0.00 C ATOM 1151 CG PRO A 169 64.771 -3.367 0.995 1.00 0.00 C ATOM 1152 CD PRO A 169 64.610 -2.604 -0.295 1.00 0.00 C ATOM 0 HA PRO A 169 67.883 -2.778 0.009 1.00 0.00 H new ATOM 0 HB2 PRO A 169 66.501 -4.300 1.853 1.00 0.00 H new ATOM 0 HB3 PRO A 169 66.509 -2.550 1.952 1.00 0.00 H new ATOM 0 HG2 PRO A 169 64.383 -4.380 0.893 1.00 0.00 H new ATOM 0 HG3 PRO A 169 64.209 -2.889 1.797 1.00 0.00 H new ATOM 0 HD2 PRO A 169 63.853 -3.058 -0.935 1.00 0.00 H new ATOM 0 HD3 PRO A 169 64.299 -1.575 -0.114 1.00 0.00 H new ATOM 1160 N LYS A 170 68.524 -4.957 -0.856 1.00 0.00 N ATOM 1161 CA LYS A 170 68.932 -6.302 -1.351 1.00 0.00 C ATOM 1162 C LYS A 170 70.276 -6.687 -0.755 1.00 0.00 C ATOM 1163 O LYS A 170 70.955 -5.877 -0.161 1.00 0.00 O ATOM 1164 CB LYS A 170 69.086 -6.161 -2.857 1.00 0.00 C ATOM 1165 CG LYS A 170 67.934 -6.878 -3.565 1.00 0.00 C ATOM 1166 CD LYS A 170 67.488 -6.055 -4.776 1.00 0.00 C ATOM 1167 CE LYS A 170 68.396 -6.365 -5.968 1.00 0.00 C ATOM 1168 NZ LYS A 170 67.566 -7.200 -6.880 1.00 0.00 N ATOM 0 H LYS A 170 69.279 -4.275 -0.785 1.00 0.00 H new ATOM 0 HA LYS A 170 68.202 -7.063 -1.078 1.00 0.00 H new ATOM 0 HB2 LYS A 170 69.095 -5.107 -3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 170 70.039 -6.583 -3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 170 68.251 -7.871 -3.884 1.00 0.00 H new ATOM 0 HG3 LYS A 170 67.099 -7.015 -2.877 1.00 0.00 H new ATOM 0 HD2 LYS A 170 66.452 -6.287 -5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 170 67.529 -4.991 -4.541 1.00 0.00 H new ATOM 0 HE2 LYS A 170 68.725 -5.450 -6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 170 69.293 -6.898 -5.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 68.122 -7.452 -7.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 67.273 -8.067 -6.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 66.723 -6.665 -7.170 1.00 0.00 H new ATOM 1182 N ARG A 171 70.678 -7.912 -0.920 1.00 0.00 N ATOM 1183 CA ARG A 171 71.991 -8.319 -0.365 1.00 0.00 C ATOM 1184 C ARG A 171 73.096 -8.133 -1.408 1.00 0.00 C ATOM 1185 O ARG A 171 72.864 -7.634 -2.492 1.00 0.00 O ATOM 1186 CB ARG A 171 71.836 -9.790 0.021 1.00 0.00 C ATOM 1187 CG ARG A 171 71.643 -10.634 -1.240 1.00 0.00 C ATOM 1188 CD ARG A 171 71.391 -12.090 -0.846 1.00 0.00 C ATOM 1189 NE ARG A 171 70.176 -12.048 0.015 1.00 0.00 N ATOM 1190 CZ ARG A 171 69.847 -13.087 0.733 1.00 0.00 C ATOM 1191 NH1 ARG A 171 69.302 -14.128 0.165 1.00 0.00 N ATOM 1192 NH2 ARG A 171 70.061 -13.085 2.020 1.00 0.00 N ATOM 0 H ARG A 171 70.160 -8.642 -1.410 1.00 0.00 H new ATOM 0 HA ARG A 171 72.275 -7.713 0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 171 72.717 -10.128 0.566 1.00 0.00 H new ATOM 0 HB3 ARG A 171 70.982 -9.913 0.688 1.00 0.00 H new ATOM 0 HG2 ARG A 171 70.803 -10.253 -1.821 1.00 0.00 H new ATOM 0 HG3 ARG A 171 72.526 -10.566 -1.875 1.00 0.00 H new ATOM 0 HD2 ARG A 171 71.232 -12.715 -1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 171 72.242 -12.507 -0.308 1.00 0.00 H new ATOM 0 HE ARG A 171 69.601 -11.206 0.043 1.00 0.00 H new ATOM 0 HH11 ARG A 171 69.133 -14.130 -0.841 1.00 0.00 H new ATOM 0 HH12 ARG A 171 69.045 -14.940 0.727 1.00 0.00 H new ATOM 0 HH21 ARG A 171 70.485 -12.271 2.465 1.00 0.00 H new ATOM 0 HH22 ARG A 171 69.804 -13.897 2.581 1.00 0.00 H new ATOM 1206 N ALA A 172 74.297 -8.524 -1.084 1.00 0.00 N ATOM 1207 CA ALA A 172 75.419 -8.362 -2.052 1.00 0.00 C ATOM 1208 C ALA A 172 76.447 -9.483 -1.872 1.00 0.00 C ATOM 1209 O ALA A 172 77.440 -9.327 -1.189 1.00 0.00 O ATOM 1210 CB ALA A 172 76.033 -7.005 -1.709 1.00 0.00 C ATOM 0 H ALA A 172 74.551 -8.948 -0.192 1.00 0.00 H new ATOM 0 HA ALA A 172 75.084 -8.411 -3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 172 76.871 -6.805 -2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 172 75.281 -6.225 -1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 172 76.386 -7.016 -0.678 1.00 0.00 H new TER 1216 ALA A 172