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 -12:sc= -0.49 USER MOD Set 1.2: A 160 HIS : no HD1:sc= -14.7! C(o=-15!,f=-15!) USER MOD Set 2.1: A 108 THR OG1 : rot -41:sc= -1.15! USER MOD Set 2.2: A 163 ASN : amide:sc= -4.87! C(o=-6!,f=-8.1!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -136:sc= -4.88! (180deg=-10.9!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.034 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.129) 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 -120:sc= -6.83! USER MOD Single : A 127 THR OG1 : rot 35:sc= 0.293 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot -160:sc= -0.641 USER MOD Single : A 137 SER OG : rot 38:sc= 0.493 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 42:sc= -0.313 USER MOD Single : A 153 LYS NZ :NH3+ 155:sc=-0.00413 (180deg=-0.501) USER MOD Single : A 155 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 157 GLN : amide:sc= -0.433 X(o=-0.43,f=0) USER MOD Single : A 158 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0318) 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 76.741 -7.037 3.111 1.00 0.00 N ATOM 2 CA LYS A 98 76.578 -5.861 2.209 1.00 0.00 C ATOM 3 C LYS A 98 75.242 -5.962 1.469 1.00 0.00 C ATOM 4 O LYS A 98 74.775 -7.041 1.163 1.00 0.00 O ATOM 5 CB LYS A 98 77.746 -5.943 1.224 1.00 0.00 C ATOM 6 CG LYS A 98 79.062 -6.105 1.991 1.00 0.00 C ATOM 7 CD LYS A 98 80.081 -6.826 1.106 1.00 0.00 C ATOM 8 CE LYS A 98 81.119 -5.823 0.594 1.00 0.00 C ATOM 9 NZ LYS A 98 82.342 -6.635 0.333 1.00 0.00 N ATOM 0 HA LYS A 98 76.578 -4.916 2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 98 77.604 -6.785 0.546 1.00 0.00 H new ATOM 0 HB3 LYS A 98 77.780 -5.042 0.611 1.00 0.00 H new ATOM 0 HG2 LYS A 98 79.446 -5.129 2.286 1.00 0.00 H new ATOM 0 HG3 LYS A 98 78.894 -6.671 2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 98 80.573 -7.617 1.672 1.00 0.00 H new ATOM 0 HD3 LYS A 98 79.575 -7.302 0.266 1.00 0.00 H new ATOM 0 HE2 LYS A 98 80.774 -5.326 -0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 98 81.312 -5.044 1.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 83.100 -6.017 -0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 82.651 -7.091 1.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 82.129 -7.364 -0.377 1.00 0.00 H new ATOM 23 N MET A 99 74.620 -4.851 1.180 1.00 0.00 N ATOM 24 CA MET A 99 73.312 -4.904 0.463 1.00 0.00 C ATOM 25 C MET A 99 73.199 -3.763 -0.551 1.00 0.00 C ATOM 26 O MET A 99 74.057 -2.908 -0.647 1.00 0.00 O ATOM 27 CB MET A 99 72.243 -4.753 1.549 1.00 0.00 C ATOM 28 CG MET A 99 72.689 -3.716 2.581 1.00 0.00 C ATOM 29 SD MET A 99 71.393 -3.516 3.825 1.00 0.00 S ATOM 30 CE MET A 99 70.006 -3.302 2.683 1.00 0.00 C ATOM 0 H MET A 99 74.957 -3.915 1.407 1.00 0.00 H new ATOM 0 HA MET A 99 73.202 -5.834 -0.094 1.00 0.00 H new ATOM 0 HB2 MET A 99 71.297 -4.448 1.100 1.00 0.00 H new ATOM 0 HB3 MET A 99 72.070 -5.712 2.037 1.00 0.00 H new ATOM 0 HG2 MET A 99 73.618 -4.034 3.055 1.00 0.00 H new ATOM 0 HG3 MET A 99 72.890 -2.763 2.092 1.00 0.00 H new ATOM 0 HE1 MET A 99 69.375 -2.482 3.027 1.00 0.00 H new ATOM 0 HE2 MET A 99 70.386 -3.074 1.687 1.00 0.00 H new ATOM 0 HE3 MET A 99 69.420 -4.220 2.646 1.00 0.00 H new ATOM 40 N PHE A 100 72.136 -3.753 -1.308 1.00 0.00 N ATOM 41 CA PHE A 100 71.940 -2.684 -2.326 1.00 0.00 C ATOM 42 C PHE A 100 70.654 -1.912 -2.022 1.00 0.00 C ATOM 43 O PHE A 100 69.601 -2.489 -1.829 1.00 0.00 O ATOM 44 CB PHE A 100 71.824 -3.447 -3.646 1.00 0.00 C ATOM 45 CG PHE A 100 71.926 -2.499 -4.819 1.00 0.00 C ATOM 46 CD1 PHE A 100 71.025 -1.434 -4.952 1.00 0.00 C ATOM 47 CD2 PHE A 100 72.921 -2.697 -5.784 1.00 0.00 C ATOM 48 CE1 PHE A 100 71.122 -0.569 -6.049 1.00 0.00 C ATOM 49 CE2 PHE A 100 73.018 -1.831 -6.879 1.00 0.00 C ATOM 50 CZ PHE A 100 72.118 -0.767 -7.011 1.00 0.00 C ATOM 0 H PHE A 100 71.389 -4.446 -1.264 1.00 0.00 H new ATOM 0 HA PHE A 100 72.747 -1.951 -2.346 1.00 0.00 H new ATOM 0 HB2 PHE A 100 72.612 -4.198 -3.709 1.00 0.00 H new ATOM 0 HB3 PHE A 100 70.873 -3.979 -3.683 1.00 0.00 H new ATOM 0 HD1 PHE A 100 70.256 -1.280 -4.209 1.00 0.00 H new ATOM 0 HD2 PHE A 100 73.614 -3.519 -5.683 1.00 0.00 H new ATOM 0 HE1 PHE A 100 70.427 0.251 -6.152 1.00 0.00 H new ATOM 0 HE2 PHE A 100 73.787 -1.984 -7.622 1.00 0.00 H new ATOM 0 HZ PHE A 100 72.193 -0.099 -7.856 1.00 0.00 H new ATOM 60 N ILE A 101 70.732 -0.612 -1.976 1.00 0.00 N ATOM 61 CA ILE A 101 69.519 0.206 -1.681 1.00 0.00 C ATOM 62 C ILE A 101 69.093 0.958 -2.942 1.00 0.00 C ATOM 63 O ILE A 101 69.586 2.030 -3.236 1.00 0.00 O ATOM 64 CB ILE A 101 69.944 1.190 -0.582 1.00 0.00 C ATOM 65 CG1 ILE A 101 70.971 0.533 0.348 1.00 0.00 C ATOM 66 CG2 ILE A 101 68.719 1.598 0.236 1.00 0.00 C ATOM 67 CD1 ILE A 101 70.423 -0.805 0.854 1.00 0.00 C ATOM 0 H ILE A 101 71.586 -0.077 -2.130 1.00 0.00 H new ATOM 0 HA ILE A 101 68.674 -0.404 -1.361 1.00 0.00 H new ATOM 0 HB ILE A 101 70.391 2.068 -1.048 1.00 0.00 H new ATOM 0 HG12 ILE A 101 71.910 0.376 -0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 101 71.188 1.191 1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 101 69.019 2.297 1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 101 67.988 2.075 -0.417 1.00 0.00 H new ATOM 0 HG23 ILE A 101 68.275 0.713 0.692 1.00 0.00 H new ATOM 0 HD11 ILE A 101 71.154 -1.271 1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 101 69.496 -0.635 1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 101 70.229 -1.463 0.007 1.00 0.00 H new ATOM 79 N GLY A 102 68.188 0.398 -3.697 1.00 0.00 N ATOM 80 CA GLY A 102 67.742 1.076 -4.945 1.00 0.00 C ATOM 81 C GLY A 102 66.448 1.848 -4.686 1.00 0.00 C ATOM 82 O GLY A 102 65.405 1.271 -4.451 1.00 0.00 O ATOM 0 H GLY A 102 67.740 -0.498 -3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 102 68.517 1.757 -5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 102 67.584 0.339 -5.733 1.00 0.00 H new ATOM 86 N GLY A 103 66.505 3.151 -4.733 1.00 0.00 N ATOM 87 CA GLY A 103 65.275 3.960 -4.494 1.00 0.00 C ATOM 88 C GLY A 103 65.628 5.207 -3.682 1.00 0.00 C ATOM 89 O GLY A 103 64.886 5.623 -2.814 1.00 0.00 O ATOM 0 H GLY A 103 67.349 3.690 -4.926 1.00 0.00 H new ATOM 0 HA2 GLY A 103 64.827 4.248 -5.445 1.00 0.00 H new ATOM 0 HA3 GLY A 103 64.534 3.364 -3.960 1.00 0.00 H new ATOM 93 N LEU A 104 66.754 5.809 -3.956 1.00 0.00 N ATOM 94 CA LEU A 104 67.149 7.034 -3.199 1.00 0.00 C ATOM 95 C LEU A 104 66.613 8.282 -3.902 1.00 0.00 C ATOM 96 O LEU A 104 66.220 8.238 -5.051 1.00 0.00 O ATOM 97 CB LEU A 104 68.679 7.035 -3.208 1.00 0.00 C ATOM 98 CG LEU A 104 69.194 6.321 -1.960 1.00 0.00 C ATOM 99 CD1 LEU A 104 69.100 4.808 -2.164 1.00 0.00 C ATOM 100 CD2 LEU A 104 70.652 6.713 -1.710 1.00 0.00 C ATOM 0 H LEU A 104 67.417 5.507 -4.670 1.00 0.00 H new ATOM 0 HA LEU A 104 66.748 7.038 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 104 69.049 6.537 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 104 69.053 8.059 -3.235 1.00 0.00 H new ATOM 0 HG LEU A 104 68.589 6.611 -1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 104 69.467 4.297 -1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 104 68.061 4.528 -2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 104 69.704 4.519 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 104 71.018 6.203 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 104 71.259 6.425 -2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 104 70.719 7.791 -1.564 1.00 0.00 H new ATOM 112 N SER A 105 66.601 9.395 -3.224 1.00 0.00 N ATOM 113 CA SER A 105 66.095 10.647 -3.860 1.00 0.00 C ATOM 114 C SER A 105 67.194 11.273 -4.723 1.00 0.00 C ATOM 115 O SER A 105 68.234 10.683 -4.942 1.00 0.00 O ATOM 116 CB SER A 105 65.731 11.567 -2.696 1.00 0.00 C ATOM 117 OG SER A 105 64.622 12.375 -3.068 1.00 0.00 O ATOM 0 H SER A 105 66.918 9.494 -2.260 1.00 0.00 H new ATOM 0 HA SER A 105 65.240 10.467 -4.512 1.00 0.00 H new ATOM 0 HB2 SER A 105 65.486 10.977 -1.813 1.00 0.00 H new ATOM 0 HB3 SER A 105 66.582 12.195 -2.433 1.00 0.00 H new ATOM 0 HG SER A 105 64.384 12.966 -2.324 1.00 0.00 H new ATOM 123 N TRP A 106 66.973 12.460 -5.219 1.00 0.00 N ATOM 124 CA TRP A 106 68.008 13.115 -6.070 1.00 0.00 C ATOM 125 C TRP A 106 69.049 13.820 -5.197 1.00 0.00 C ATOM 126 O TRP A 106 70.073 14.266 -5.675 1.00 0.00 O ATOM 127 CB TRP A 106 67.243 14.136 -6.916 1.00 0.00 C ATOM 128 CG TRP A 106 66.510 13.431 -8.015 1.00 0.00 C ATOM 129 CD1 TRP A 106 66.945 12.321 -8.652 1.00 0.00 C ATOM 130 CD2 TRP A 106 65.225 13.772 -8.615 1.00 0.00 C ATOM 131 NE1 TRP A 106 66.009 11.957 -9.606 1.00 0.00 N ATOM 132 CE2 TRP A 106 64.931 12.820 -9.619 1.00 0.00 C ATOM 133 CE3 TRP A 106 64.295 14.802 -8.386 1.00 0.00 C ATOM 134 CZ2 TRP A 106 63.758 12.889 -10.372 1.00 0.00 C ATOM 135 CZ3 TRP A 106 63.112 14.875 -9.140 1.00 0.00 C ATOM 136 CH2 TRP A 106 62.845 13.920 -10.131 1.00 0.00 C ATOM 0 H TRP A 106 66.123 13.004 -5.072 1.00 0.00 H new ATOM 0 HA TRP A 106 68.546 12.394 -6.686 1.00 0.00 H new ATOM 0 HB2 TRP A 106 66.540 14.687 -6.291 1.00 0.00 H new ATOM 0 HB3 TRP A 106 67.935 14.866 -7.337 1.00 0.00 H new ATOM 0 HD1 TRP A 106 67.871 11.803 -8.450 1.00 0.00 H new ATOM 0 HE1 TRP A 106 66.104 11.151 -10.223 1.00 0.00 H new ATOM 0 HE3 TRP A 106 64.492 15.542 -7.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 63.557 12.152 -11.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 62.405 15.670 -8.955 1.00 0.00 H new ATOM 0 HH2 TRP A 106 61.934 13.981 -10.708 1.00 0.00 H new ATOM 147 N ASP A 107 68.796 13.925 -3.922 1.00 0.00 N ATOM 148 CA ASP A 107 69.774 14.604 -3.025 1.00 0.00 C ATOM 149 C ASP A 107 70.159 13.685 -1.862 1.00 0.00 C ATOM 150 O ASP A 107 70.650 14.133 -0.844 1.00 0.00 O ATOM 151 CB ASP A 107 69.045 15.844 -2.508 1.00 0.00 C ATOM 152 CG ASP A 107 69.471 17.065 -3.326 1.00 0.00 C ATOM 153 OD1 ASP A 107 70.450 17.690 -2.952 1.00 0.00 O ATOM 154 OD2 ASP A 107 68.814 17.352 -4.312 1.00 0.00 O ATOM 0 H ASP A 107 67.957 13.571 -3.463 1.00 0.00 H new ATOM 0 HA ASP A 107 70.697 14.860 -3.544 1.00 0.00 H new ATOM 0 HB2 ASP A 107 67.967 15.702 -2.582 1.00 0.00 H new ATOM 0 HB3 ASP A 107 69.275 16.001 -1.454 1.00 0.00 H new ATOM 159 N THR A 108 69.947 12.403 -2.002 1.00 0.00 N ATOM 160 CA THR A 108 70.312 11.470 -0.897 1.00 0.00 C ATOM 161 C THR A 108 71.826 11.503 -0.670 1.00 0.00 C ATOM 162 O THR A 108 72.583 11.914 -1.527 1.00 0.00 O ATOM 163 CB THR A 108 69.858 10.084 -1.364 1.00 0.00 C ATOM 164 OG1 THR A 108 68.619 10.202 -2.047 1.00 0.00 O ATOM 165 CG2 THR A 108 69.686 9.167 -0.152 1.00 0.00 C ATOM 0 H THR A 108 69.540 11.964 -2.828 1.00 0.00 H new ATOM 0 HA THR A 108 69.841 11.742 0.048 1.00 0.00 H new ATOM 0 HB THR A 108 70.607 9.661 -2.034 1.00 0.00 H new ATOM 0 HG1 THR A 108 68.043 10.837 -1.573 1.00 0.00 H new ATOM 0 HG21 THR A 108 69.363 8.181 -0.485 1.00 0.00 H new ATOM 0 HG22 THR A 108 70.636 9.079 0.375 1.00 0.00 H new ATOM 0 HG23 THR A 108 68.936 9.587 0.519 1.00 0.00 H new ATOM 173 N THR A 109 72.271 11.084 0.480 1.00 0.00 N ATOM 174 CA THR A 109 73.733 11.100 0.766 1.00 0.00 C ATOM 175 C THR A 109 74.102 9.968 1.723 1.00 0.00 C ATOM 176 O THR A 109 73.249 9.303 2.276 1.00 0.00 O ATOM 177 CB THR A 109 73.990 12.453 1.431 1.00 0.00 C ATOM 178 OG1 THR A 109 73.259 12.525 2.649 1.00 0.00 O ATOM 179 CG2 THR A 109 73.547 13.579 0.496 1.00 0.00 C ATOM 0 H THR A 109 71.685 10.730 1.236 1.00 0.00 H new ATOM 0 HA THR A 109 74.327 10.962 -0.137 1.00 0.00 H new ATOM 0 HB THR A 109 75.055 12.560 1.639 1.00 0.00 H new ATOM 0 HG1 THR A 109 73.423 13.391 3.078 1.00 0.00 H new ATOM 0 HG21 THR A 109 73.731 14.542 0.973 1.00 0.00 H new ATOM 0 HG22 THR A 109 74.110 13.521 -0.435 1.00 0.00 H new ATOM 0 HG23 THR A 109 72.483 13.478 0.283 1.00 0.00 H new ATOM 187 N LYS A 110 75.371 9.756 1.933 1.00 0.00 N ATOM 188 CA LYS A 110 75.802 8.680 2.866 1.00 0.00 C ATOM 189 C LYS A 110 75.480 9.104 4.306 1.00 0.00 C ATOM 190 O LYS A 110 75.555 8.317 5.228 1.00 0.00 O ATOM 191 CB LYS A 110 77.318 8.549 2.626 1.00 0.00 C ATOM 192 CG LYS A 110 78.064 8.299 3.942 1.00 0.00 C ATOM 193 CD LYS A 110 79.525 7.940 3.647 1.00 0.00 C ATOM 194 CE LYS A 110 80.091 8.897 2.594 1.00 0.00 C ATOM 195 NZ LYS A 110 81.422 8.333 2.238 1.00 0.00 N ATOM 0 H LYS A 110 76.129 10.282 1.498 1.00 0.00 H new ATOM 0 HA LYS A 110 75.297 7.728 2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 110 77.511 7.730 1.934 1.00 0.00 H new ATOM 0 HB3 LYS A 110 77.695 9.458 2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 110 78.018 9.187 4.572 1.00 0.00 H new ATOM 0 HG3 LYS A 110 77.585 7.491 4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 110 80.116 8.000 4.561 1.00 0.00 H new ATOM 0 HD3 LYS A 110 79.592 6.912 3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 110 79.440 8.954 1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 110 80.184 9.909 2.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 81.873 8.935 1.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 82.022 8.297 3.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 81.302 7.372 1.858 1.00 0.00 H new ATOM 209 N LYS A 111 75.122 10.345 4.497 1.00 0.00 N ATOM 210 CA LYS A 111 74.795 10.829 5.868 1.00 0.00 C ATOM 211 C LYS A 111 73.340 10.502 6.217 1.00 0.00 C ATOM 212 O LYS A 111 73.054 9.970 7.272 1.00 0.00 O ATOM 213 CB LYS A 111 75.003 12.344 5.813 1.00 0.00 C ATOM 214 CG LYS A 111 75.952 12.770 6.934 1.00 0.00 C ATOM 215 CD LYS A 111 75.225 12.689 8.278 1.00 0.00 C ATOM 216 CE LYS A 111 76.036 13.427 9.344 1.00 0.00 C ATOM 217 NZ LYS A 111 77.175 12.520 9.654 1.00 0.00 N ATOM 0 H LYS A 111 75.042 11.046 3.760 1.00 0.00 H new ATOM 0 HA LYS A 111 75.416 10.357 6.629 1.00 0.00 H new ATOM 0 HB2 LYS A 111 75.415 12.630 4.845 1.00 0.00 H new ATOM 0 HB3 LYS A 111 74.047 12.857 5.917 1.00 0.00 H new ATOM 0 HG2 LYS A 111 76.831 12.126 6.945 1.00 0.00 H new ATOM 0 HG3 LYS A 111 76.304 13.787 6.760 1.00 0.00 H new ATOM 0 HD2 LYS A 111 74.231 13.129 8.193 1.00 0.00 H new ATOM 0 HD3 LYS A 111 75.088 11.647 8.567 1.00 0.00 H new ATOM 0 HE2 LYS A 111 76.387 14.391 8.976 1.00 0.00 H new ATOM 0 HE3 LYS A 111 75.435 13.624 10.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 77.198 12.329 10.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 77.057 11.625 9.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 78.067 12.971 9.366 1.00 0.00 H new ATOM 231 N ASP A 112 72.414 10.817 5.350 1.00 0.00 N ATOM 232 CA ASP A 112 70.987 10.517 5.662 1.00 0.00 C ATOM 233 C ASP A 112 70.710 9.020 5.485 1.00 0.00 C ATOM 234 O ASP A 112 69.892 8.448 6.176 1.00 0.00 O ATOM 235 CB ASP A 112 70.162 11.372 4.686 1.00 0.00 C ATOM 236 CG ASP A 112 69.875 10.603 3.390 1.00 0.00 C ATOM 237 OD1 ASP A 112 69.248 9.559 3.467 1.00 0.00 O ATOM 238 OD2 ASP A 112 70.276 11.080 2.345 1.00 0.00 O ATOM 0 H ASP A 112 72.582 11.264 4.449 1.00 0.00 H new ATOM 0 HA ASP A 112 70.729 10.753 6.694 1.00 0.00 H new ATOM 0 HB2 ASP A 112 69.223 11.663 5.156 1.00 0.00 H new ATOM 0 HB3 ASP A 112 70.701 12.291 4.456 1.00 0.00 H new ATOM 243 N LEU A 113 71.389 8.376 4.572 1.00 0.00 N ATOM 244 CA LEU A 113 71.159 6.916 4.377 1.00 0.00 C ATOM 245 C LEU A 113 71.859 6.134 5.488 1.00 0.00 C ATOM 246 O LEU A 113 71.308 5.211 6.054 1.00 0.00 O ATOM 247 CB LEU A 113 71.769 6.576 3.017 1.00 0.00 C ATOM 248 CG LEU A 113 71.276 5.200 2.572 1.00 0.00 C ATOM 249 CD1 LEU A 113 70.139 5.365 1.563 1.00 0.00 C ATOM 250 CD2 LEU A 113 72.428 4.434 1.919 1.00 0.00 C ATOM 0 H LEU A 113 72.087 8.795 3.958 1.00 0.00 H new ATOM 0 HA LEU A 113 70.100 6.659 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 113 71.490 7.330 2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 113 72.857 6.582 3.082 1.00 0.00 H new ATOM 0 HG LEU A 113 70.914 4.647 3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 113 69.788 4.383 1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 113 69.318 5.912 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 113 70.499 5.918 0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 113 72.078 3.452 1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 113 72.789 4.989 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 113 73.239 4.315 2.637 1.00 0.00 H new ATOM 262 N LYS A 114 73.070 6.503 5.815 1.00 0.00 N ATOM 263 CA LYS A 114 73.794 5.785 6.901 1.00 0.00 C ATOM 264 C LYS A 114 73.006 5.900 8.206 1.00 0.00 C ATOM 265 O LYS A 114 72.821 4.934 8.919 1.00 0.00 O ATOM 266 CB LYS A 114 75.142 6.496 7.023 1.00 0.00 C ATOM 267 CG LYS A 114 75.949 5.860 8.157 1.00 0.00 C ATOM 268 CD LYS A 114 77.412 6.296 8.049 1.00 0.00 C ATOM 269 CE LYS A 114 77.874 6.871 9.389 1.00 0.00 C ATOM 270 NZ LYS A 114 79.337 7.101 9.222 1.00 0.00 N ATOM 0 H LYS A 114 73.586 7.267 5.378 1.00 0.00 H new ATOM 0 HA LYS A 114 73.918 4.723 6.689 1.00 0.00 H new ATOM 0 HB2 LYS A 114 75.691 6.422 6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 114 74.990 7.557 7.220 1.00 0.00 H new ATOM 0 HG2 LYS A 114 75.539 6.160 9.122 1.00 0.00 H new ATOM 0 HG3 LYS A 114 75.877 4.774 8.104 1.00 0.00 H new ATOM 0 HD2 LYS A 114 78.036 5.447 7.771 1.00 0.00 H new ATOM 0 HD3 LYS A 114 77.523 7.043 7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 114 77.352 7.799 9.622 1.00 0.00 H new ATOM 0 HE3 LYS A 114 77.673 6.179 10.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 79.729 7.496 10.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 79.808 6.199 9.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 79.496 7.769 8.441 1.00 0.00 H new ATOM 284 N ASP A 115 72.531 7.074 8.522 1.00 0.00 N ATOM 285 CA ASP A 115 71.748 7.241 9.776 1.00 0.00 C ATOM 286 C ASP A 115 70.357 6.650 9.590 1.00 0.00 C ATOM 287 O ASP A 115 69.851 5.964 10.455 1.00 0.00 O ATOM 288 CB ASP A 115 71.680 8.749 10.020 1.00 0.00 C ATOM 289 CG ASP A 115 72.135 9.052 11.448 1.00 0.00 C ATOM 290 OD1 ASP A 115 71.857 8.246 12.321 1.00 0.00 O ATOM 291 OD2 ASP A 115 72.755 10.084 11.646 1.00 0.00 O ATOM 0 H ASP A 115 72.651 7.921 7.967 1.00 0.00 H new ATOM 0 HA ASP A 115 72.203 6.729 10.624 1.00 0.00 H new ATOM 0 HB2 ASP A 115 72.314 9.273 9.305 1.00 0.00 H new ATOM 0 HB3 ASP A 115 70.662 9.108 9.867 1.00 0.00 H new ATOM 296 N TYR A 116 69.743 6.875 8.464 1.00 0.00 N ATOM 297 CA TYR A 116 68.404 6.273 8.249 1.00 0.00 C ATOM 298 C TYR A 116 68.485 4.799 8.626 1.00 0.00 C ATOM 299 O TYR A 116 67.561 4.221 9.161 1.00 0.00 O ATOM 300 CB TYR A 116 68.126 6.405 6.758 1.00 0.00 C ATOM 301 CG TYR A 116 66.839 5.686 6.456 1.00 0.00 C ATOM 302 CD1 TYR A 116 65.625 6.354 6.607 1.00 0.00 C ATOM 303 CD2 TYR A 116 66.859 4.350 6.039 1.00 0.00 C ATOM 304 CE1 TYR A 116 64.422 5.692 6.340 1.00 0.00 C ATOM 305 CE2 TYR A 116 65.661 3.684 5.771 1.00 0.00 C ATOM 306 CZ TYR A 116 64.439 4.355 5.920 1.00 0.00 C ATOM 307 OH TYR A 116 63.254 3.701 5.655 1.00 0.00 O ATOM 0 H TYR A 116 70.104 7.440 7.696 1.00 0.00 H new ATOM 0 HA TYR A 116 67.624 6.752 8.841 1.00 0.00 H new ATOM 0 HB2 TYR A 116 68.050 7.455 6.477 1.00 0.00 H new ATOM 0 HB3 TYR A 116 68.945 5.978 6.179 1.00 0.00 H new ATOM 0 HD1 TYR A 116 65.613 7.384 6.931 1.00 0.00 H new ATOM 0 HD2 TYR A 116 67.801 3.834 5.924 1.00 0.00 H new ATOM 0 HE1 TYR A 116 63.482 6.210 6.457 1.00 0.00 H new ATOM 0 HE2 TYR A 116 65.676 2.653 5.449 1.00 0.00 H new ATOM 0 HH TYR A 116 62.504 4.236 5.989 1.00 0.00 H new ATOM 317 N PHE A 117 69.605 4.191 8.337 1.00 0.00 N ATOM 318 CA PHE A 117 69.783 2.754 8.660 1.00 0.00 C ATOM 319 C PHE A 117 70.405 2.577 10.047 1.00 0.00 C ATOM 320 O PHE A 117 70.404 1.497 10.604 1.00 0.00 O ATOM 321 CB PHE A 117 70.703 2.218 7.566 1.00 0.00 C ATOM 322 CG PHE A 117 69.885 1.953 6.328 1.00 0.00 C ATOM 323 CD1 PHE A 117 68.766 1.115 6.406 1.00 0.00 C ATOM 324 CD2 PHE A 117 70.236 2.544 5.107 1.00 0.00 C ATOM 325 CE1 PHE A 117 67.998 0.864 5.266 1.00 0.00 C ATOM 326 CE2 PHE A 117 69.465 2.293 3.964 1.00 0.00 C ATOM 327 CZ PHE A 117 68.348 1.452 4.044 1.00 0.00 C ATOM 0 H PHE A 117 70.406 4.635 7.888 1.00 0.00 H new ATOM 0 HA PHE A 117 68.834 2.218 8.690 1.00 0.00 H new ATOM 0 HB2 PHE A 117 71.492 2.939 7.350 1.00 0.00 H new ATOM 0 HB3 PHE A 117 71.191 1.302 7.899 1.00 0.00 H new ATOM 0 HD1 PHE A 117 68.496 0.662 7.349 1.00 0.00 H new ATOM 0 HD2 PHE A 117 71.098 3.191 5.047 1.00 0.00 H new ATOM 0 HE1 PHE A 117 67.135 0.217 5.327 1.00 0.00 H new ATOM 0 HE2 PHE A 117 69.732 2.748 3.022 1.00 0.00 H new ATOM 0 HZ PHE A 117 67.756 1.257 3.162 1.00 0.00 H new ATOM 337 N SER A 118 70.928 3.626 10.614 1.00 0.00 N ATOM 338 CA SER A 118 71.536 3.510 11.968 1.00 0.00 C ATOM 339 C SER A 118 70.469 3.069 12.974 1.00 0.00 C ATOM 340 O SER A 118 70.771 2.659 14.078 1.00 0.00 O ATOM 341 CB SER A 118 72.042 4.914 12.295 1.00 0.00 C ATOM 342 OG SER A 118 72.354 4.990 13.679 1.00 0.00 O ATOM 0 H SER A 118 70.961 4.558 10.200 1.00 0.00 H new ATOM 0 HA SER A 118 72.339 2.774 12.008 1.00 0.00 H new ATOM 0 HB2 SER A 118 72.925 5.143 11.698 1.00 0.00 H new ATOM 0 HB3 SER A 118 71.284 5.655 12.040 1.00 0.00 H new ATOM 0 HG SER A 118 72.680 5.889 13.892 1.00 0.00 H new ATOM 348 N LYS A 119 69.220 3.149 12.595 1.00 0.00 N ATOM 349 CA LYS A 119 68.126 2.734 13.518 1.00 0.00 C ATOM 350 C LYS A 119 67.932 1.216 13.459 1.00 0.00 C ATOM 351 O LYS A 119 67.252 0.634 14.281 1.00 0.00 O ATOM 352 CB LYS A 119 66.880 3.461 13.008 1.00 0.00 C ATOM 353 CG LYS A 119 66.800 4.852 13.646 1.00 0.00 C ATOM 354 CD LYS A 119 65.530 4.953 14.494 1.00 0.00 C ATOM 355 CE LYS A 119 65.850 4.577 15.944 1.00 0.00 C ATOM 356 NZ LYS A 119 64.555 4.701 16.669 1.00 0.00 N ATOM 0 H LYS A 119 68.911 3.485 11.683 1.00 0.00 H new ATOM 0 HA LYS A 119 68.343 2.983 14.557 1.00 0.00 H new ATOM 0 HB2 LYS A 119 66.917 3.549 11.922 1.00 0.00 H new ATOM 0 HB3 LYS A 119 65.986 2.886 13.251 1.00 0.00 H new ATOM 0 HG2 LYS A 119 67.679 5.031 14.266 1.00 0.00 H new ATOM 0 HG3 LYS A 119 66.795 5.619 12.872 1.00 0.00 H new ATOM 0 HD2 LYS A 119 65.131 5.966 14.450 1.00 0.00 H new ATOM 0 HD3 LYS A 119 64.761 4.290 14.097 1.00 0.00 H new ATOM 0 HE2 LYS A 119 66.244 3.563 16.011 1.00 0.00 H new ATOM 0 HE3 LYS A 119 66.604 5.241 16.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 64.693 4.459 17.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 64.207 5.678 16.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 63.859 4.053 16.249 1.00 0.00 H new ATOM 370 N PHE A 120 68.538 0.565 12.501 1.00 0.00 N ATOM 371 CA PHE A 120 68.399 -0.917 12.406 1.00 0.00 C ATOM 372 C PHE A 120 69.504 -1.580 13.227 1.00 0.00 C ATOM 373 O PHE A 120 69.254 -2.265 14.200 1.00 0.00 O ATOM 374 CB PHE A 120 68.584 -1.258 10.924 1.00 0.00 C ATOM 375 CG PHE A 120 67.503 -0.620 10.081 1.00 0.00 C ATOM 376 CD1 PHE A 120 67.559 0.746 9.785 1.00 0.00 C ATOM 377 CD2 PHE A 120 66.460 -1.402 9.571 1.00 0.00 C ATOM 378 CE1 PHE A 120 66.573 1.332 8.982 1.00 0.00 C ATOM 379 CE2 PHE A 120 65.476 -0.818 8.764 1.00 0.00 C ATOM 380 CZ PHE A 120 65.534 0.549 8.470 1.00 0.00 C ATOM 0 H PHE A 120 69.121 0.994 11.783 1.00 0.00 H new ATOM 0 HA PHE A 120 67.436 -1.263 12.782 1.00 0.00 H new ATOM 0 HB2 PHE A 120 69.562 -0.915 10.588 1.00 0.00 H new ATOM 0 HB3 PHE A 120 68.563 -2.340 10.791 1.00 0.00 H new ATOM 0 HD1 PHE A 120 68.364 1.350 10.177 1.00 0.00 H new ATOM 0 HD2 PHE A 120 66.414 -2.456 9.800 1.00 0.00 H new ATOM 0 HE1 PHE A 120 66.615 2.388 8.758 1.00 0.00 H new ATOM 0 HE2 PHE A 120 64.673 -1.422 8.369 1.00 0.00 H new ATOM 0 HZ PHE A 120 64.775 1.000 7.847 1.00 0.00 H new ATOM 390 N GLY A 121 70.727 -1.373 12.833 1.00 0.00 N ATOM 391 CA GLY A 121 71.873 -1.974 13.569 1.00 0.00 C ATOM 392 C GLY A 121 73.141 -1.185 13.243 1.00 0.00 C ATOM 393 O GLY A 121 73.106 -0.208 12.522 1.00 0.00 O ATOM 0 H GLY A 121 70.985 -0.807 12.024 1.00 0.00 H new ATOM 0 HA2 GLY A 121 71.683 -1.955 14.642 1.00 0.00 H new ATOM 0 HA3 GLY A 121 71.996 -3.019 13.285 1.00 0.00 H new ATOM 397 N GLU A 122 74.264 -1.598 13.763 1.00 0.00 N ATOM 398 CA GLU A 122 75.529 -0.862 13.474 1.00 0.00 C ATOM 399 C GLU A 122 75.937 -1.055 12.010 1.00 0.00 C ATOM 400 O GLU A 122 75.925 -2.153 11.494 1.00 0.00 O ATOM 401 CB GLU A 122 76.570 -1.483 14.408 1.00 0.00 C ATOM 402 CG GLU A 122 76.798 -0.558 15.606 1.00 0.00 C ATOM 403 CD GLU A 122 77.034 -1.398 16.863 1.00 0.00 C ATOM 404 OE1 GLU A 122 76.130 -2.119 17.249 1.00 0.00 O ATOM 405 OE2 GLU A 122 78.116 -1.303 17.419 1.00 0.00 O ATOM 0 H GLU A 122 74.361 -2.410 14.373 1.00 0.00 H new ATOM 0 HA GLU A 122 75.426 0.211 13.633 1.00 0.00 H new ATOM 0 HB2 GLU A 122 76.230 -2.461 14.750 1.00 0.00 H new ATOM 0 HB3 GLU A 122 77.507 -1.640 13.873 1.00 0.00 H new ATOM 0 HG2 GLU A 122 77.656 0.088 15.422 1.00 0.00 H new ATOM 0 HG3 GLU A 122 75.934 0.092 15.747 1.00 0.00 H new ATOM 412 N VAL A 123 76.302 0.006 11.341 1.00 0.00 N ATOM 413 CA VAL A 123 76.720 -0.109 9.911 1.00 0.00 C ATOM 414 C VAL A 123 78.216 0.130 9.762 1.00 0.00 C ATOM 415 O VAL A 123 78.765 1.087 10.271 1.00 0.00 O ATOM 416 CB VAL A 123 75.917 0.966 9.158 1.00 0.00 C ATOM 417 CG1 VAL A 123 76.733 1.535 7.988 1.00 0.00 C ATOM 418 CG2 VAL A 123 74.662 0.325 8.581 1.00 0.00 C ATOM 0 H VAL A 123 76.329 0.951 11.724 1.00 0.00 H new ATOM 0 HA VAL A 123 76.526 -1.106 9.516 1.00 0.00 H new ATOM 0 HB VAL A 123 75.672 1.767 9.855 1.00 0.00 H new ATOM 0 HG11 VAL A 123 76.146 2.293 7.470 1.00 0.00 H new ATOM 0 HG12 VAL A 123 77.650 1.984 8.369 1.00 0.00 H new ATOM 0 HG13 VAL A 123 76.983 0.732 7.294 1.00 0.00 H new ATOM 0 HG21 VAL A 123 74.083 1.077 8.044 1.00 0.00 H new ATOM 0 HG22 VAL A 123 74.944 -0.474 7.895 1.00 0.00 H new ATOM 0 HG23 VAL A 123 74.059 -0.087 9.390 1.00 0.00 H new ATOM 428 N VAL A 124 78.864 -0.715 9.022 1.00 0.00 N ATOM 429 CA VAL A 124 80.309 -0.528 8.784 1.00 0.00 C ATOM 430 C VAL A 124 80.469 0.337 7.541 1.00 0.00 C ATOM 431 O VAL A 124 81.445 1.042 7.384 1.00 0.00 O ATOM 432 CB VAL A 124 80.866 -1.936 8.537 1.00 0.00 C ATOM 433 CG1 VAL A 124 82.066 -1.864 7.582 1.00 0.00 C ATOM 434 CG2 VAL A 124 81.313 -2.545 9.867 1.00 0.00 C ATOM 0 H VAL A 124 78.451 -1.531 8.570 1.00 0.00 H new ATOM 0 HA VAL A 124 80.827 -0.045 9.612 1.00 0.00 H new ATOM 0 HB VAL A 124 80.089 -2.556 8.090 1.00 0.00 H new ATOM 0 HG11 VAL A 124 82.456 -2.867 7.411 1.00 0.00 H new ATOM 0 HG12 VAL A 124 81.750 -1.431 6.633 1.00 0.00 H new ATOM 0 HG13 VAL A 124 82.845 -1.242 8.023 1.00 0.00 H new ATOM 0 HG21 VAL A 124 81.709 -3.546 9.694 1.00 0.00 H new ATOM 0 HG22 VAL A 124 82.087 -1.920 10.311 1.00 0.00 H new ATOM 0 HG23 VAL A 124 80.461 -2.604 10.545 1.00 0.00 H new ATOM 444 N ASP A 125 79.519 0.274 6.645 1.00 0.00 N ATOM 445 CA ASP A 125 79.646 1.082 5.407 1.00 0.00 C ATOM 446 C ASP A 125 78.290 1.561 4.874 1.00 0.00 C ATOM 447 O ASP A 125 77.242 1.070 5.245 1.00 0.00 O ATOM 448 CB ASP A 125 80.310 0.149 4.393 1.00 0.00 C ATOM 449 CG ASP A 125 81.803 0.471 4.284 1.00 0.00 C ATOM 450 OD1 ASP A 125 82.403 0.769 5.302 1.00 0.00 O ATOM 451 OD2 ASP A 125 82.321 0.411 3.181 1.00 0.00 O ATOM 0 H ASP A 125 78.675 -0.294 6.718 1.00 0.00 H new ATOM 0 HA ASP A 125 80.222 1.988 5.596 1.00 0.00 H new ATOM 0 HB2 ASP A 125 80.175 -0.889 4.698 1.00 0.00 H new ATOM 0 HB3 ASP A 125 79.834 0.259 3.419 1.00 0.00 H new ATOM 456 N CYS A 126 78.331 2.520 3.986 1.00 0.00 N ATOM 457 CA CYS A 126 77.089 3.076 3.371 1.00 0.00 C ATOM 458 C CYS A 126 77.496 3.992 2.219 1.00 0.00 C ATOM 459 O CYS A 126 78.482 4.696 2.302 1.00 0.00 O ATOM 460 CB CYS A 126 76.396 3.860 4.485 1.00 0.00 C ATOM 461 SG CYS A 126 74.756 4.381 3.927 1.00 0.00 S ATOM 0 H CYS A 126 79.194 2.951 3.654 1.00 0.00 H new ATOM 0 HA CYS A 126 76.423 2.311 2.972 1.00 0.00 H new ATOM 0 HB2 CYS A 126 76.308 3.242 5.379 1.00 0.00 H new ATOM 0 HB3 CYS A 126 76.993 4.731 4.757 1.00 0.00 H new ATOM 0 HG CYS A 126 74.678 5.678 3.960 1.00 0.00 H new ATOM 467 N THR A 127 76.783 3.966 1.129 1.00 0.00 N ATOM 468 CA THR A 127 77.197 4.816 -0.020 1.00 0.00 C ATOM 469 C THR A 127 75.997 5.248 -0.877 1.00 0.00 C ATOM 470 O THR A 127 74.943 4.643 -0.853 1.00 0.00 O ATOM 471 CB THR A 127 78.144 3.893 -0.806 1.00 0.00 C ATOM 472 OG1 THR A 127 79.488 4.183 -0.448 1.00 0.00 O ATOM 473 CG2 THR A 127 77.970 4.091 -2.310 1.00 0.00 C ATOM 0 H THR A 127 75.945 3.403 0.984 1.00 0.00 H new ATOM 0 HA THR A 127 77.663 5.751 0.291 1.00 0.00 H new ATOM 0 HB THR A 127 77.904 2.859 -0.560 1.00 0.00 H new ATOM 0 HG1 THR A 127 79.529 4.421 0.502 1.00 0.00 H new ATOM 0 HG21 THR A 127 78.650 3.428 -2.845 1.00 0.00 H new ATOM 0 HG22 THR A 127 76.942 3.861 -2.591 1.00 0.00 H new ATOM 0 HG23 THR A 127 78.194 5.126 -2.569 1.00 0.00 H new ATOM 481 N LEU A 128 76.183 6.277 -1.663 1.00 0.00 N ATOM 482 CA LEU A 128 75.100 6.753 -2.569 1.00 0.00 C ATOM 483 C LEU A 128 75.602 6.650 -4.014 1.00 0.00 C ATOM 484 O LEU A 128 76.566 7.288 -4.392 1.00 0.00 O ATOM 485 CB LEU A 128 74.833 8.218 -2.166 1.00 0.00 C ATOM 486 CG LEU A 128 74.625 9.099 -3.411 1.00 0.00 C ATOM 487 CD1 LEU A 128 73.427 8.590 -4.219 1.00 0.00 C ATOM 488 CD2 LEU A 128 74.361 10.543 -2.978 1.00 0.00 C ATOM 0 H LEU A 128 77.050 6.812 -1.715 1.00 0.00 H new ATOM 0 HA LEU A 128 74.184 6.168 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 128 73.951 8.269 -1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 128 75.672 8.598 -1.582 1.00 0.00 H new ATOM 0 HG LEU A 128 75.522 9.056 -4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 128 73.287 9.219 -5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 128 73.610 7.563 -4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 128 72.530 8.626 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 128 74.214 11.166 -3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 128 73.467 10.578 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 128 75.214 10.914 -2.410 1.00 0.00 H new ATOM 500 N LYS A 129 74.964 5.857 -4.820 1.00 0.00 N ATOM 501 CA LYS A 129 75.413 5.724 -6.231 1.00 0.00 C ATOM 502 C LYS A 129 74.590 6.639 -7.133 1.00 0.00 C ATOM 503 O LYS A 129 73.368 6.647 -7.090 1.00 0.00 O ATOM 504 CB LYS A 129 75.181 4.259 -6.601 1.00 0.00 C ATOM 505 CG LYS A 129 76.527 3.569 -6.835 1.00 0.00 C ATOM 506 CD LYS A 129 77.190 4.144 -8.089 1.00 0.00 C ATOM 507 CE LYS A 129 78.638 4.526 -7.770 1.00 0.00 C ATOM 508 NZ LYS A 129 79.160 5.134 -9.026 1.00 0.00 N ATOM 0 H LYS A 129 74.152 5.295 -4.565 1.00 0.00 H new ATOM 0 HA LYS A 129 76.458 6.007 -6.353 1.00 0.00 H new ATOM 0 HB2 LYS A 129 74.636 3.754 -5.804 1.00 0.00 H new ATOM 0 HB3 LYS A 129 74.566 4.193 -7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 129 77.175 3.713 -5.971 1.00 0.00 H new ATOM 0 HG3 LYS A 129 76.381 2.495 -6.949 1.00 0.00 H new ATOM 0 HD2 LYS A 129 77.165 3.411 -8.895 1.00 0.00 H new ATOM 0 HD3 LYS A 129 76.640 5.019 -8.436 1.00 0.00 H new ATOM 0 HE2 LYS A 129 78.687 5.231 -6.940 1.00 0.00 H new ATOM 0 HE3 LYS A 129 79.223 3.652 -7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 80.150 5.422 -8.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 79.107 4.438 -9.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 78.588 5.967 -9.272 1.00 0.00 H new ATOM 522 N LEU A 130 75.253 7.409 -7.951 1.00 0.00 N ATOM 523 CA LEU A 130 74.528 8.326 -8.866 1.00 0.00 C ATOM 524 C LEU A 130 74.689 7.849 -10.312 1.00 0.00 C ATOM 525 O LEU A 130 75.389 6.894 -10.581 1.00 0.00 O ATOM 526 CB LEU A 130 75.188 9.692 -8.669 1.00 0.00 C ATOM 527 CG LEU A 130 76.680 9.591 -8.985 1.00 0.00 C ATOM 528 CD1 LEU A 130 77.127 10.834 -9.756 1.00 0.00 C ATOM 529 CD2 LEU A 130 77.471 9.493 -7.678 1.00 0.00 C ATOM 0 H LEU A 130 76.270 7.440 -8.023 1.00 0.00 H new ATOM 0 HA LEU A 130 73.459 8.364 -8.658 1.00 0.00 H new ATOM 0 HB2 LEU A 130 74.718 10.431 -9.318 1.00 0.00 H new ATOM 0 HB3 LEU A 130 75.045 10.031 -7.643 1.00 0.00 H new ATOM 0 HG LEU A 130 76.862 8.704 -9.591 1.00 0.00 H new ATOM 0 HD11 LEU A 130 78.191 10.760 -9.980 1.00 0.00 H new ATOM 0 HD12 LEU A 130 76.564 10.907 -10.687 1.00 0.00 H new ATOM 0 HD13 LEU A 130 76.945 11.722 -9.151 1.00 0.00 H new ATOM 0 HD21 LEU A 130 78.535 9.421 -7.901 1.00 0.00 H new ATOM 0 HD22 LEU A 130 77.286 10.381 -7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 130 77.155 8.607 -7.127 1.00 0.00 H new ATOM 541 N ASP A 131 74.053 8.500 -11.248 1.00 0.00 N ATOM 542 CA ASP A 131 74.184 8.067 -12.671 1.00 0.00 C ATOM 543 C ASP A 131 75.654 8.129 -13.104 1.00 0.00 C ATOM 544 O ASP A 131 76.217 9.198 -13.239 1.00 0.00 O ATOM 545 CB ASP A 131 73.342 9.059 -13.475 1.00 0.00 C ATOM 546 CG ASP A 131 71.982 8.433 -13.788 1.00 0.00 C ATOM 547 OD1 ASP A 131 71.963 7.387 -14.414 1.00 0.00 O ATOM 548 OD2 ASP A 131 70.982 9.012 -13.396 1.00 0.00 O ATOM 0 H ASP A 131 73.451 9.309 -11.092 1.00 0.00 H new ATOM 0 HA ASP A 131 73.848 7.041 -12.823 1.00 0.00 H new ATOM 0 HB2 ASP A 131 73.209 9.982 -12.910 1.00 0.00 H new ATOM 0 HB3 ASP A 131 73.855 9.323 -14.400 1.00 0.00 H new ATOM 553 N PRO A 132 76.229 6.974 -13.299 1.00 0.00 N ATOM 554 CA PRO A 132 77.650 6.891 -13.710 1.00 0.00 C ATOM 555 C PRO A 132 77.801 7.177 -15.209 1.00 0.00 C ATOM 556 O PRO A 132 78.848 7.590 -15.666 1.00 0.00 O ATOM 557 CB PRO A 132 78.027 5.448 -13.395 1.00 0.00 C ATOM 558 CG PRO A 132 76.741 4.682 -13.433 1.00 0.00 C ATOM 559 CD PRO A 132 75.617 5.650 -13.154 1.00 0.00 C ATOM 0 HA PRO A 132 78.283 7.618 -13.201 1.00 0.00 H new ATOM 0 HB2 PRO A 132 78.737 5.059 -14.125 1.00 0.00 H new ATOM 0 HB3 PRO A 132 78.501 5.371 -12.417 1.00 0.00 H new ATOM 0 HG2 PRO A 132 76.606 4.211 -14.407 1.00 0.00 H new ATOM 0 HG3 PRO A 132 76.750 3.884 -12.691 1.00 0.00 H new ATOM 0 HD2 PRO A 132 74.793 5.515 -13.855 1.00 0.00 H new ATOM 0 HD3 PRO A 132 75.210 5.508 -12.153 1.00 0.00 H new ATOM 567 N ILE A 133 76.770 6.955 -15.977 1.00 0.00 N ATOM 568 CA ILE A 133 76.867 7.211 -17.443 1.00 0.00 C ATOM 569 C ILE A 133 76.307 8.598 -17.784 1.00 0.00 C ATOM 570 O ILE A 133 76.769 9.258 -18.693 1.00 0.00 O ATOM 571 CB ILE A 133 76.035 6.097 -18.096 1.00 0.00 C ATOM 572 CG1 ILE A 133 76.544 5.844 -19.516 1.00 0.00 C ATOM 573 CG2 ILE A 133 74.557 6.497 -18.146 1.00 0.00 C ATOM 574 CD1 ILE A 133 76.232 7.058 -20.386 1.00 0.00 C ATOM 0 H ILE A 133 75.867 6.608 -15.655 1.00 0.00 H new ATOM 0 HA ILE A 133 77.897 7.203 -17.799 1.00 0.00 H new ATOM 0 HB ILE A 133 76.135 5.188 -17.503 1.00 0.00 H new ATOM 0 HG12 ILE A 133 77.618 5.658 -19.502 1.00 0.00 H new ATOM 0 HG13 ILE A 133 76.072 4.954 -19.931 1.00 0.00 H new ATOM 0 HG21 ILE A 133 73.979 5.698 -18.611 1.00 0.00 H new ATOM 0 HG22 ILE A 133 74.192 6.667 -17.133 1.00 0.00 H new ATOM 0 HG23 ILE A 133 74.447 7.411 -18.729 1.00 0.00 H new ATOM 0 HD11 ILE A 133 76.593 6.882 -21.399 1.00 0.00 H new ATOM 0 HD12 ILE A 133 75.155 7.223 -20.408 1.00 0.00 H new ATOM 0 HD13 ILE A 133 76.725 7.938 -19.973 1.00 0.00 H new ATOM 586 N THR A 134 75.313 9.040 -17.064 1.00 0.00 N ATOM 587 CA THR A 134 74.723 10.380 -17.351 1.00 0.00 C ATOM 588 C THR A 134 75.449 11.462 -16.545 1.00 0.00 C ATOM 589 O THR A 134 75.259 12.642 -16.762 1.00 0.00 O ATOM 590 CB THR A 134 73.260 10.279 -16.912 1.00 0.00 C ATOM 591 OG1 THR A 134 72.970 8.941 -16.521 1.00 0.00 O ATOM 592 CG2 THR A 134 72.350 10.690 -18.073 1.00 0.00 C ATOM 0 H THR A 134 74.884 8.533 -16.290 1.00 0.00 H new ATOM 0 HA THR A 134 74.813 10.650 -18.403 1.00 0.00 H new ATOM 0 HB THR A 134 73.087 10.944 -16.066 1.00 0.00 H new ATOM 0 HG1 THR A 134 72.001 8.795 -16.547 1.00 0.00 H new ATOM 0 HG21 THR A 134 71.308 10.618 -17.761 1.00 0.00 H new ATOM 0 HG22 THR A 134 72.572 11.717 -18.364 1.00 0.00 H new ATOM 0 HG23 THR A 134 72.521 10.028 -18.922 1.00 0.00 H new ATOM 600 N GLY A 135 76.275 11.068 -15.615 1.00 0.00 N ATOM 601 CA GLY A 135 77.009 12.073 -14.797 1.00 0.00 C ATOM 602 C GLY A 135 76.026 12.805 -13.880 1.00 0.00 C ATOM 603 O GLY A 135 76.284 13.902 -13.427 1.00 0.00 O ATOM 0 H GLY A 135 76.473 10.094 -15.387 1.00 0.00 H new ATOM 0 HA2 GLY A 135 77.779 11.581 -14.203 1.00 0.00 H new ATOM 0 HA3 GLY A 135 77.516 12.786 -15.447 1.00 0.00 H new ATOM 607 N ARG A 136 74.899 12.207 -13.604 1.00 0.00 N ATOM 608 CA ARG A 136 73.901 12.870 -12.717 1.00 0.00 C ATOM 609 C ARG A 136 73.499 11.931 -11.577 1.00 0.00 C ATOM 610 O ARG A 136 74.154 10.942 -11.314 1.00 0.00 O ATOM 611 CB ARG A 136 72.700 13.165 -13.616 1.00 0.00 C ATOM 612 CG ARG A 136 72.274 14.625 -13.441 1.00 0.00 C ATOM 613 CD ARG A 136 70.796 14.685 -13.045 1.00 0.00 C ATOM 614 NE ARG A 136 70.742 15.648 -11.909 1.00 0.00 N ATOM 615 CZ ARG A 136 69.589 16.053 -11.450 1.00 0.00 C ATOM 616 NH1 ARG A 136 68.573 15.234 -11.418 1.00 0.00 N ATOM 617 NH2 ARG A 136 69.450 17.279 -11.021 1.00 0.00 N ATOM 0 H ARG A 136 74.626 11.289 -13.954 1.00 0.00 H new ATOM 0 HA ARG A 136 74.297 13.776 -12.258 1.00 0.00 H new ATOM 0 HB2 ARG A 136 72.957 12.973 -14.658 1.00 0.00 H new ATOM 0 HB3 ARG A 136 71.873 12.502 -13.364 1.00 0.00 H new ATOM 0 HG2 ARG A 136 72.886 15.104 -12.676 1.00 0.00 H new ATOM 0 HG3 ARG A 136 72.435 15.175 -14.368 1.00 0.00 H new ATOM 0 HD2 ARG A 136 70.177 15.021 -13.877 1.00 0.00 H new ATOM 0 HD3 ARG A 136 70.426 13.703 -12.749 1.00 0.00 H new ATOM 0 HE ARG A 136 71.606 15.991 -11.490 1.00 0.00 H new ATOM 0 HH11 ARG A 136 68.679 14.276 -11.752 1.00 0.00 H new ATOM 0 HH12 ARG A 136 67.673 15.552 -11.059 1.00 0.00 H new ATOM 0 HH21 ARG A 136 70.243 17.921 -11.045 1.00 0.00 H new ATOM 0 HH22 ARG A 136 68.549 17.595 -10.663 1.00 0.00 H new ATOM 631 N SER A 137 72.426 12.233 -10.898 1.00 0.00 N ATOM 632 CA SER A 137 71.979 11.360 -9.776 1.00 0.00 C ATOM 633 C SER A 137 71.018 10.282 -10.290 1.00 0.00 C ATOM 634 O SER A 137 69.986 10.574 -10.863 1.00 0.00 O ATOM 635 CB SER A 137 71.262 12.299 -8.808 1.00 0.00 C ATOM 636 OG SER A 137 70.272 13.036 -9.514 1.00 0.00 O ATOM 0 H SER A 137 71.839 13.048 -11.072 1.00 0.00 H new ATOM 0 HA SER A 137 72.811 10.840 -9.301 1.00 0.00 H new ATOM 0 HB2 SER A 137 70.801 11.727 -8.003 1.00 0.00 H new ATOM 0 HB3 SER A 137 71.978 12.979 -8.346 1.00 0.00 H new ATOM 0 HG SER A 137 69.846 12.457 -10.180 1.00 0.00 H new ATOM 642 N ARG A 138 71.348 9.038 -10.080 1.00 0.00 N ATOM 643 CA ARG A 138 70.462 7.931 -10.535 1.00 0.00 C ATOM 644 C ARG A 138 69.461 7.599 -9.428 1.00 0.00 C ATOM 645 O ARG A 138 68.367 7.132 -9.680 1.00 0.00 O ATOM 646 CB ARG A 138 71.403 6.752 -10.789 1.00 0.00 C ATOM 647 CG ARG A 138 70.771 5.809 -11.815 1.00 0.00 C ATOM 648 CD ARG A 138 69.553 5.121 -11.195 1.00 0.00 C ATOM 649 NE ARG A 138 69.622 3.714 -11.678 1.00 0.00 N ATOM 650 CZ ARG A 138 68.643 2.890 -11.428 1.00 0.00 C ATOM 651 NH1 ARG A 138 68.331 2.604 -10.194 1.00 0.00 N ATOM 652 NH2 ARG A 138 67.976 2.352 -12.413 1.00 0.00 N ATOM 0 H ARG A 138 72.201 8.739 -9.608 1.00 0.00 H new ATOM 0 HA ARG A 138 69.888 8.183 -11.427 1.00 0.00 H new ATOM 0 HB2 ARG A 138 72.365 7.112 -11.154 1.00 0.00 H new ATOM 0 HB3 ARG A 138 71.595 6.218 -9.858 1.00 0.00 H new ATOM 0 HG2 ARG A 138 70.474 6.367 -12.703 1.00 0.00 H new ATOM 0 HG3 ARG A 138 71.499 5.064 -12.136 1.00 0.00 H new ATOM 0 HD2 ARG A 138 69.584 5.167 -10.106 1.00 0.00 H new ATOM 0 HD3 ARG A 138 68.626 5.601 -11.508 1.00 0.00 H new ATOM 0 HE ARG A 138 70.435 3.395 -12.204 1.00 0.00 H new ATOM 0 HH11 ARG A 138 68.853 3.025 -9.425 1.00 0.00 H new ATOM 0 HH12 ARG A 138 67.565 1.959 -9.998 1.00 0.00 H new ATOM 0 HH21 ARG A 138 68.221 2.576 -13.377 1.00 0.00 H new ATOM 0 HH22 ARG A 138 67.210 1.707 -12.218 1.00 0.00 H new ATOM 666 N GLY A 139 69.823 7.866 -8.202 1.00 0.00 N ATOM 667 CA GLY A 139 68.894 7.602 -7.068 1.00 0.00 C ATOM 668 C GLY A 139 69.088 6.193 -6.495 1.00 0.00 C ATOM 669 O GLY A 139 68.139 5.453 -6.341 1.00 0.00 O ATOM 0 H GLY A 139 70.727 8.257 -7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 139 69.058 8.340 -6.283 1.00 0.00 H new ATOM 0 HA3 GLY A 139 67.864 7.719 -7.406 1.00 0.00 H new ATOM 673 N PHE A 140 70.293 5.814 -6.148 1.00 0.00 N ATOM 674 CA PHE A 140 70.484 4.456 -5.554 1.00 0.00 C ATOM 675 C PHE A 140 71.904 4.306 -5.004 1.00 0.00 C ATOM 676 O PHE A 140 72.855 4.741 -5.611 1.00 0.00 O ATOM 677 CB PHE A 140 70.201 3.460 -6.688 1.00 0.00 C ATOM 678 CG PHE A 140 71.454 3.166 -7.481 1.00 0.00 C ATOM 679 CD1 PHE A 140 72.312 2.139 -7.073 1.00 0.00 C ATOM 680 CD2 PHE A 140 71.748 3.912 -8.625 1.00 0.00 C ATOM 681 CE1 PHE A 140 73.466 1.857 -7.812 1.00 0.00 C ATOM 682 CE2 PHE A 140 72.902 3.631 -9.366 1.00 0.00 C ATOM 683 CZ PHE A 140 73.762 2.602 -8.961 1.00 0.00 C ATOM 0 H PHE A 140 71.139 6.375 -6.248 1.00 0.00 H new ATOM 0 HA PHE A 140 69.816 4.280 -4.711 1.00 0.00 H new ATOM 0 HB2 PHE A 140 69.805 2.534 -6.272 1.00 0.00 H new ATOM 0 HB3 PHE A 140 69.435 3.865 -7.349 1.00 0.00 H new ATOM 0 HD1 PHE A 140 72.084 1.564 -6.188 1.00 0.00 H new ATOM 0 HD2 PHE A 140 71.085 4.705 -8.938 1.00 0.00 H new ATOM 0 HE1 PHE A 140 74.129 1.065 -7.497 1.00 0.00 H new ATOM 0 HE2 PHE A 140 73.129 4.208 -10.250 1.00 0.00 H new ATOM 0 HZ PHE A 140 74.651 2.383 -9.533 1.00 0.00 H new ATOM 693 N GLY A 141 72.045 3.696 -3.852 1.00 0.00 N ATOM 694 CA GLY A 141 73.404 3.522 -3.256 1.00 0.00 C ATOM 695 C GLY A 141 73.494 2.159 -2.567 1.00 0.00 C ATOM 696 O GLY A 141 72.707 1.270 -2.826 1.00 0.00 O ATOM 0 H GLY A 141 71.278 3.312 -3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 141 74.165 3.599 -4.033 1.00 0.00 H new ATOM 0 HA3 GLY A 141 73.601 4.317 -2.537 1.00 0.00 H new ATOM 700 N PHE A 142 74.453 1.981 -1.697 1.00 0.00 N ATOM 701 CA PHE A 142 74.589 0.666 -1.006 1.00 0.00 C ATOM 702 C PHE A 142 74.630 0.838 0.512 1.00 0.00 C ATOM 703 O PHE A 142 74.886 1.909 1.026 1.00 0.00 O ATOM 704 CB PHE A 142 75.917 0.087 -1.486 1.00 0.00 C ATOM 705 CG PHE A 142 75.759 -0.505 -2.862 1.00 0.00 C ATOM 706 CD1 PHE A 142 75.475 0.322 -3.952 1.00 0.00 C ATOM 707 CD2 PHE A 142 75.904 -1.884 -3.044 1.00 0.00 C ATOM 708 CE1 PHE A 142 75.333 -0.230 -5.229 1.00 0.00 C ATOM 709 CE2 PHE A 142 75.764 -2.438 -4.322 1.00 0.00 C ATOM 710 CZ PHE A 142 75.479 -1.608 -5.416 1.00 0.00 C ATOM 0 H PHE A 142 75.144 2.685 -1.436 1.00 0.00 H new ATOM 0 HA PHE A 142 73.741 0.019 -1.233 1.00 0.00 H new ATOM 0 HB2 PHE A 142 76.678 0.868 -1.503 1.00 0.00 H new ATOM 0 HB3 PHE A 142 76.261 -0.678 -0.790 1.00 0.00 H new ATOM 0 HD1 PHE A 142 75.365 1.387 -3.808 1.00 0.00 H new ATOM 0 HD2 PHE A 142 76.124 -2.521 -2.200 1.00 0.00 H new ATOM 0 HE1 PHE A 142 75.110 0.408 -6.071 1.00 0.00 H new ATOM 0 HE2 PHE A 142 75.875 -3.503 -4.465 1.00 0.00 H new ATOM 0 HZ PHE A 142 75.372 -2.033 -6.403 1.00 0.00 H new ATOM 720 N VAL A 143 74.408 -0.229 1.226 1.00 0.00 N ATOM 721 CA VAL A 143 74.460 -0.173 2.713 1.00 0.00 C ATOM 722 C VAL A 143 75.174 -1.420 3.224 1.00 0.00 C ATOM 723 O VAL A 143 74.971 -2.510 2.729 1.00 0.00 O ATOM 724 CB VAL A 143 73.001 -0.137 3.178 1.00 0.00 C ATOM 725 CG1 VAL A 143 72.902 -0.636 4.623 1.00 0.00 C ATOM 726 CG2 VAL A 143 72.484 1.302 3.106 1.00 0.00 C ATOM 0 H VAL A 143 74.190 -1.147 0.839 1.00 0.00 H new ATOM 0 HA VAL A 143 75.002 0.695 3.089 1.00 0.00 H new ATOM 0 HB VAL A 143 72.402 -0.780 2.533 1.00 0.00 H new ATOM 0 HG11 VAL A 143 71.862 -0.608 4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 143 73.272 -1.660 4.681 1.00 0.00 H new ATOM 0 HG13 VAL A 143 73.501 0.004 5.271 1.00 0.00 H new ATOM 0 HG21 VAL A 143 71.446 1.332 3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 143 73.089 1.939 3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 143 72.549 1.661 2.079 1.00 0.00 H new ATOM 736 N LEU A 144 76.023 -1.267 4.192 1.00 0.00 N ATOM 737 CA LEU A 144 76.766 -2.442 4.715 1.00 0.00 C ATOM 738 C LEU A 144 76.599 -2.537 6.231 1.00 0.00 C ATOM 739 O LEU A 144 77.149 -1.751 6.977 1.00 0.00 O ATOM 740 CB LEU A 144 78.216 -2.161 4.333 1.00 0.00 C ATOM 741 CG LEU A 144 78.548 -2.873 3.019 1.00 0.00 C ATOM 742 CD1 LEU A 144 77.966 -2.081 1.842 1.00 0.00 C ATOM 743 CD2 LEU A 144 80.067 -2.971 2.864 1.00 0.00 C ATOM 0 H LEU A 144 76.237 -0.379 4.646 1.00 0.00 H new ATOM 0 HA LEU A 144 76.412 -3.390 4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 144 78.373 -1.088 4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 144 78.884 -2.504 5.123 1.00 0.00 H new ATOM 0 HG LEU A 144 78.116 -3.874 3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 144 78.204 -2.590 0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 144 76.884 -2.010 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 144 78.396 -1.080 1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 144 80.305 -3.478 1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 144 80.497 -1.969 2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 144 80.482 -3.536 3.699 1.00 0.00 H new ATOM 755 N PHE A 145 75.835 -3.488 6.691 1.00 0.00 N ATOM 756 CA PHE A 145 75.623 -3.626 8.160 1.00 0.00 C ATOM 757 C PHE A 145 76.804 -4.352 8.806 1.00 0.00 C ATOM 758 O PHE A 145 77.474 -5.152 8.183 1.00 0.00 O ATOM 759 CB PHE A 145 74.343 -4.448 8.298 1.00 0.00 C ATOM 760 CG PHE A 145 73.146 -3.536 8.175 1.00 0.00 C ATOM 761 CD1 PHE A 145 72.878 -2.592 9.174 1.00 0.00 C ATOM 762 CD2 PHE A 145 72.305 -3.635 7.060 1.00 0.00 C ATOM 763 CE1 PHE A 145 71.768 -1.746 9.057 1.00 0.00 C ATOM 764 CE2 PHE A 145 71.196 -2.788 6.944 1.00 0.00 C ATOM 765 CZ PHE A 145 70.927 -1.844 7.942 1.00 0.00 C ATOM 0 H PHE A 145 75.349 -4.175 6.115 1.00 0.00 H new ATOM 0 HA PHE A 145 75.543 -2.659 8.657 1.00 0.00 H new ATOM 0 HB2 PHE A 145 74.308 -5.219 7.528 1.00 0.00 H new ATOM 0 HB3 PHE A 145 74.328 -4.959 9.261 1.00 0.00 H new ATOM 0 HD1 PHE A 145 73.527 -2.516 10.034 1.00 0.00 H new ATOM 0 HD2 PHE A 145 72.511 -4.364 6.290 1.00 0.00 H new ATOM 0 HE1 PHE A 145 71.561 -1.018 9.827 1.00 0.00 H new ATOM 0 HE2 PHE A 145 70.548 -2.863 6.084 1.00 0.00 H new ATOM 0 HZ PHE A 145 70.071 -1.192 7.852 1.00 0.00 H new ATOM 775 N LYS A 146 77.064 -4.070 10.050 1.00 0.00 N ATOM 776 CA LYS A 146 78.203 -4.731 10.746 1.00 0.00 C ATOM 777 C LYS A 146 77.853 -6.177 11.117 1.00 0.00 C ATOM 778 O LYS A 146 78.725 -6.972 11.410 1.00 0.00 O ATOM 779 CB LYS A 146 78.433 -3.898 12.008 1.00 0.00 C ATOM 780 CG LYS A 146 79.405 -4.632 12.936 1.00 0.00 C ATOM 781 CD LYS A 146 80.223 -3.611 13.730 1.00 0.00 C ATOM 782 CE LYS A 146 81.604 -4.195 14.045 1.00 0.00 C ATOM 783 NZ LYS A 146 82.536 -3.524 13.095 1.00 0.00 N ATOM 0 H LYS A 146 76.535 -3.408 10.618 1.00 0.00 H new ATOM 0 HA LYS A 146 79.090 -4.779 10.114 1.00 0.00 H new ATOM 0 HB2 LYS A 146 78.835 -2.920 11.743 1.00 0.00 H new ATOM 0 HB3 LYS A 146 77.486 -3.725 12.520 1.00 0.00 H new ATOM 0 HG2 LYS A 146 78.854 -5.281 13.617 1.00 0.00 H new ATOM 0 HG3 LYS A 146 80.068 -5.271 12.353 1.00 0.00 H new ATOM 0 HD2 LYS A 146 80.328 -2.689 13.157 1.00 0.00 H new ATOM 0 HD3 LYS A 146 79.706 -3.355 14.654 1.00 0.00 H new ATOM 0 HE2 LYS A 146 81.888 -4.000 15.079 1.00 0.00 H new ATOM 0 HE3 LYS A 146 81.615 -5.277 13.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 83.503 -3.874 13.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 82.246 -3.733 12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 82.511 -2.496 13.251 1.00 0.00 H new ATOM 797 N GLU A 147 76.593 -6.533 11.116 1.00 0.00 N ATOM 798 CA GLU A 147 76.228 -7.934 11.481 1.00 0.00 C ATOM 799 C GLU A 147 75.147 -8.479 10.543 1.00 0.00 C ATOM 800 O GLU A 147 74.368 -7.739 9.975 1.00 0.00 O ATOM 801 CB GLU A 147 75.696 -7.843 12.911 1.00 0.00 C ATOM 802 CG GLU A 147 75.459 -9.251 13.458 1.00 0.00 C ATOM 803 CD GLU A 147 74.255 -9.237 14.400 1.00 0.00 C ATOM 804 OE1 GLU A 147 73.392 -8.395 14.212 1.00 0.00 O ATOM 805 OE2 GLU A 147 74.216 -10.067 15.293 1.00 0.00 O ATOM 0 H GLU A 147 75.811 -5.922 10.881 1.00 0.00 H new ATOM 0 HA GLU A 147 77.080 -8.609 11.398 1.00 0.00 H new ATOM 0 HB2 GLU A 147 76.408 -7.311 13.542 1.00 0.00 H new ATOM 0 HB3 GLU A 147 74.767 -7.273 12.929 1.00 0.00 H new ATOM 0 HG2 GLU A 147 75.284 -9.947 12.637 1.00 0.00 H new ATOM 0 HG3 GLU A 147 76.345 -9.600 13.988 1.00 0.00 H new ATOM 812 N SER A 148 75.088 -9.773 10.386 1.00 0.00 N ATOM 813 CA SER A 148 74.051 -10.371 9.496 1.00 0.00 C ATOM 814 C SER A 148 72.663 -10.115 10.082 1.00 0.00 C ATOM 815 O SER A 148 71.721 -9.825 9.371 1.00 0.00 O ATOM 816 CB SER A 148 74.361 -11.868 9.479 1.00 0.00 C ATOM 817 OG SER A 148 75.050 -12.192 8.279 1.00 0.00 O ATOM 0 H SER A 148 75.713 -10.443 10.835 1.00 0.00 H new ATOM 0 HA SER A 148 74.062 -9.946 8.492 1.00 0.00 H new ATOM 0 HB2 SER A 148 74.968 -12.135 10.344 1.00 0.00 H new ATOM 0 HB3 SER A 148 73.438 -12.443 9.548 1.00 0.00 H new ATOM 0 HG SER A 148 75.252 -13.151 8.266 1.00 0.00 H new ATOM 823 N GLU A 149 72.532 -10.209 11.378 1.00 0.00 N ATOM 824 CA GLU A 149 71.208 -9.960 12.007 1.00 0.00 C ATOM 825 C GLU A 149 70.721 -8.557 11.644 1.00 0.00 C ATOM 826 O GLU A 149 69.613 -8.374 11.178 1.00 0.00 O ATOM 827 CB GLU A 149 71.450 -10.073 13.512 1.00 0.00 C ATOM 828 CG GLU A 149 70.361 -10.946 14.137 1.00 0.00 C ATOM 829 CD GLU A 149 70.452 -10.866 15.661 1.00 0.00 C ATOM 830 OE1 GLU A 149 71.521 -10.545 16.155 1.00 0.00 O ATOM 831 OE2 GLU A 149 69.452 -11.126 16.309 1.00 0.00 O ATOM 0 H GLU A 149 73.284 -10.447 12.025 1.00 0.00 H new ATOM 0 HA GLU A 149 70.448 -10.664 11.669 1.00 0.00 H new ATOM 0 HB2 GLU A 149 72.432 -10.506 13.702 1.00 0.00 H new ATOM 0 HB3 GLU A 149 71.444 -9.083 13.968 1.00 0.00 H new ATOM 0 HG2 GLU A 149 69.378 -10.614 13.803 1.00 0.00 H new ATOM 0 HG3 GLU A 149 70.476 -11.979 13.809 1.00 0.00 H new ATOM 838 N SER A 150 71.544 -7.563 11.848 1.00 0.00 N ATOM 839 CA SER A 150 71.127 -6.174 11.506 1.00 0.00 C ATOM 840 C SER A 150 70.631 -6.124 10.058 1.00 0.00 C ATOM 841 O SER A 150 69.724 -5.384 9.722 1.00 0.00 O ATOM 842 CB SER A 150 72.386 -5.316 11.678 1.00 0.00 C ATOM 843 OG SER A 150 73.540 -6.082 11.347 1.00 0.00 O ATOM 0 H SER A 150 72.483 -7.653 12.235 1.00 0.00 H new ATOM 0 HA SER A 150 70.313 -5.818 12.138 1.00 0.00 H new ATOM 0 HB2 SER A 150 72.327 -4.435 11.039 1.00 0.00 H new ATOM 0 HB3 SER A 150 72.457 -4.960 12.706 1.00 0.00 H new ATOM 0 HG SER A 150 73.360 -6.614 10.543 1.00 0.00 H new ATOM 849 N VAL A 151 71.220 -6.910 9.197 1.00 0.00 N ATOM 850 CA VAL A 151 70.786 -6.907 7.767 1.00 0.00 C ATOM 851 C VAL A 151 69.449 -7.641 7.610 1.00 0.00 C ATOM 852 O VAL A 151 68.525 -7.143 6.997 1.00 0.00 O ATOM 853 CB VAL A 151 71.890 -7.646 7.000 1.00 0.00 C ATOM 854 CG1 VAL A 151 71.831 -7.250 5.524 1.00 0.00 C ATOM 855 CG2 VAL A 151 73.265 -7.271 7.563 1.00 0.00 C ATOM 0 H VAL A 151 71.980 -7.552 9.419 1.00 0.00 H new ATOM 0 HA VAL A 151 70.641 -5.893 7.394 1.00 0.00 H new ATOM 0 HB VAL A 151 71.738 -8.720 7.107 1.00 0.00 H new ATOM 0 HG11 VAL A 151 72.614 -7.773 4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 151 70.858 -7.520 5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 151 71.979 -6.174 5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 151 74.041 -7.801 7.011 1.00 0.00 H new ATOM 0 HG22 VAL A 151 73.418 -6.197 7.463 1.00 0.00 H new ATOM 0 HG23 VAL A 151 73.315 -7.548 8.616 1.00 0.00 H new ATOM 865 N ASP A 152 69.341 -8.826 8.150 1.00 0.00 N ATOM 866 CA ASP A 152 68.067 -9.591 8.019 1.00 0.00 C ATOM 867 C ASP A 152 66.879 -8.738 8.485 1.00 0.00 C ATOM 868 O ASP A 152 65.793 -8.822 7.949 1.00 0.00 O ATOM 869 CB ASP A 152 68.252 -10.834 8.908 1.00 0.00 C ATOM 870 CG ASP A 152 67.690 -10.584 10.314 1.00 0.00 C ATOM 871 OD1 ASP A 152 66.478 -10.563 10.450 1.00 0.00 O ATOM 872 OD2 ASP A 152 68.480 -10.416 11.227 1.00 0.00 O ATOM 0 H ASP A 152 70.078 -9.296 8.675 1.00 0.00 H new ATOM 0 HA ASP A 152 67.854 -9.869 6.987 1.00 0.00 H new ATOM 0 HB2 ASP A 152 67.748 -11.689 8.456 1.00 0.00 H new ATOM 0 HB3 ASP A 152 69.310 -11.086 8.974 1.00 0.00 H new ATOM 877 N LYS A 153 67.079 -7.923 9.484 1.00 0.00 N ATOM 878 CA LYS A 153 65.961 -7.075 9.987 1.00 0.00 C ATOM 879 C LYS A 153 65.640 -5.963 8.985 1.00 0.00 C ATOM 880 O LYS A 153 64.500 -5.759 8.618 1.00 0.00 O ATOM 881 CB LYS A 153 66.468 -6.489 11.304 1.00 0.00 C ATOM 882 CG LYS A 153 65.689 -7.109 12.467 1.00 0.00 C ATOM 883 CD LYS A 153 66.586 -7.183 13.703 1.00 0.00 C ATOM 884 CE LYS A 153 65.822 -6.655 14.921 1.00 0.00 C ATOM 885 NZ LYS A 153 64.683 -7.597 15.101 1.00 0.00 N ATOM 0 H LYS A 153 67.967 -7.807 9.973 1.00 0.00 H new ATOM 0 HA LYS A 153 65.042 -7.645 10.124 1.00 0.00 H new ATOM 0 HB2 LYS A 153 67.534 -6.688 11.418 1.00 0.00 H new ATOM 0 HB3 LYS A 153 66.345 -5.406 11.305 1.00 0.00 H new ATOM 0 HG2 LYS A 153 64.803 -6.512 12.683 1.00 0.00 H new ATOM 0 HG3 LYS A 153 65.343 -8.107 12.196 1.00 0.00 H new ATOM 0 HD2 LYS A 153 66.901 -8.212 13.876 1.00 0.00 H new ATOM 0 HD3 LYS A 153 67.490 -6.595 13.545 1.00 0.00 H new ATOM 0 HE2 LYS A 153 66.458 -6.632 15.806 1.00 0.00 H new ATOM 0 HE3 LYS A 153 65.470 -5.637 14.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 64.375 -7.583 16.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 63.893 -7.308 14.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 64.984 -8.559 14.845 1.00 0.00 H new ATOM 899 N VAL A 154 66.629 -5.239 8.535 1.00 0.00 N ATOM 900 CA VAL A 154 66.351 -4.148 7.557 1.00 0.00 C ATOM 901 C VAL A 154 65.622 -4.713 6.333 1.00 0.00 C ATOM 902 O VAL A 154 64.944 -3.999 5.618 1.00 0.00 O ATOM 903 CB VAL A 154 67.723 -3.595 7.166 1.00 0.00 C ATOM 904 CG1 VAL A 154 67.545 -2.315 6.343 1.00 0.00 C ATOM 905 CG2 VAL A 154 68.524 -3.279 8.432 1.00 0.00 C ATOM 0 H VAL A 154 67.608 -5.354 8.799 1.00 0.00 H new ATOM 0 HA VAL A 154 65.712 -3.371 7.976 1.00 0.00 H new ATOM 0 HB VAL A 154 68.257 -4.337 6.572 1.00 0.00 H new ATOM 0 HG11 VAL A 154 68.523 -1.922 6.065 1.00 0.00 H new ATOM 0 HG12 VAL A 154 66.974 -2.538 5.442 1.00 0.00 H new ATOM 0 HG13 VAL A 154 67.011 -1.573 6.936 1.00 0.00 H new ATOM 0 HG21 VAL A 154 69.502 -2.885 8.155 1.00 0.00 H new ATOM 0 HG22 VAL A 154 67.989 -2.538 9.026 1.00 0.00 H new ATOM 0 HG23 VAL A 154 68.652 -4.189 9.018 1.00 0.00 H new ATOM 915 N MET A 155 65.750 -5.989 6.087 1.00 0.00 N ATOM 916 CA MET A 155 65.059 -6.596 4.910 1.00 0.00 C ATOM 917 C MET A 155 63.639 -7.023 5.294 1.00 0.00 C ATOM 918 O MET A 155 62.691 -6.760 4.581 1.00 0.00 O ATOM 919 CB MET A 155 65.904 -7.815 4.534 1.00 0.00 C ATOM 920 CG MET A 155 67.168 -7.354 3.805 1.00 0.00 C ATOM 921 SD MET A 155 66.814 -7.177 2.040 1.00 0.00 S ATOM 922 CE MET A 155 67.218 -8.872 1.551 1.00 0.00 C ATOM 0 H MET A 155 66.302 -6.638 6.648 1.00 0.00 H new ATOM 0 HA MET A 155 64.967 -5.896 4.080 1.00 0.00 H new ATOM 0 HB2 MET A 155 66.172 -8.376 5.430 1.00 0.00 H new ATOM 0 HB3 MET A 155 65.329 -8.487 3.897 1.00 0.00 H new ATOM 0 HG2 MET A 155 67.512 -6.404 4.215 1.00 0.00 H new ATOM 0 HG3 MET A 155 67.971 -8.075 3.955 1.00 0.00 H new ATOM 0 HE1 MET A 155 67.067 -8.987 0.478 1.00 0.00 H new ATOM 0 HE2 MET A 155 68.259 -9.083 1.795 1.00 0.00 H new ATOM 0 HE3 MET A 155 66.572 -9.569 2.085 1.00 0.00 H new ATOM 932 N ASP A 156 63.481 -7.678 6.412 1.00 0.00 N ATOM 933 CA ASP A 156 62.115 -8.113 6.824 1.00 0.00 C ATOM 934 C ASP A 156 61.131 -6.948 6.672 1.00 0.00 C ATOM 935 O ASP A 156 59.993 -7.131 6.288 1.00 0.00 O ATOM 936 CB ASP A 156 62.250 -8.547 8.291 1.00 0.00 C ATOM 937 CG ASP A 156 62.116 -7.337 9.223 1.00 0.00 C ATOM 938 OD1 ASP A 156 61.057 -6.730 9.225 1.00 0.00 O ATOM 939 OD2 ASP A 156 63.070 -7.044 9.924 1.00 0.00 O ATOM 0 H ASP A 156 64.232 -7.930 7.054 1.00 0.00 H new ATOM 0 HA ASP A 156 61.732 -8.928 6.210 1.00 0.00 H new ATOM 0 HB2 ASP A 156 61.484 -9.284 8.530 1.00 0.00 H new ATOM 0 HB3 ASP A 156 63.215 -9.028 8.447 1.00 0.00 H new ATOM 944 N GLN A 157 61.560 -5.750 6.965 1.00 0.00 N ATOM 945 CA GLN A 157 60.646 -4.581 6.831 1.00 0.00 C ATOM 946 C GLN A 157 61.103 -3.685 5.675 1.00 0.00 C ATOM 947 O GLN A 157 61.824 -2.728 5.867 1.00 0.00 O ATOM 948 CB GLN A 157 60.752 -3.836 8.163 1.00 0.00 C ATOM 949 CG GLN A 157 59.372 -3.305 8.558 1.00 0.00 C ATOM 950 CD GLN A 157 59.528 -1.966 9.282 1.00 0.00 C ATOM 951 OE1 GLN A 157 60.157 -1.892 10.319 1.00 0.00 O ATOM 952 NE2 GLN A 157 58.978 -0.897 8.776 1.00 0.00 N ATOM 0 H GLN A 157 62.502 -5.531 7.291 1.00 0.00 H new ATOM 0 HA GLN A 157 59.621 -4.881 6.615 1.00 0.00 H new ATOM 0 HB2 GLN A 157 61.132 -4.503 8.936 1.00 0.00 H new ATOM 0 HB3 GLN A 157 61.460 -3.012 8.076 1.00 0.00 H new ATOM 0 HG2 GLN A 157 58.751 -3.181 7.671 1.00 0.00 H new ATOM 0 HG3 GLN A 157 58.866 -4.023 9.203 1.00 0.00 H new ATOM 0 HE21 GLN A 157 58.450 -0.958 7.906 1.00 0.00 H new ATOM 0 HE22 GLN A 157 59.076 0.000 9.251 1.00 0.00 H new ATOM 961 N LYS A 158 60.691 -3.994 4.474 1.00 0.00 N ATOM 962 CA LYS A 158 61.104 -3.166 3.300 1.00 0.00 C ATOM 963 C LYS A 158 60.194 -1.957 3.144 1.00 0.00 C ATOM 964 O LYS A 158 60.172 -1.315 2.113 1.00 0.00 O ATOM 965 CB LYS A 158 60.973 -4.094 2.092 1.00 0.00 C ATOM 966 CG LYS A 158 62.359 -4.431 1.542 1.00 0.00 C ATOM 967 CD LYS A 158 62.464 -5.941 1.318 1.00 0.00 C ATOM 968 CE LYS A 158 61.280 -6.422 0.474 1.00 0.00 C ATOM 969 NZ LYS A 158 61.635 -6.063 -0.927 1.00 0.00 N ATOM 0 H LYS A 158 60.086 -4.785 4.254 1.00 0.00 H new ATOM 0 HA LYS A 158 62.117 -2.780 3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 158 60.454 -5.008 2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 158 60.372 -3.616 1.319 1.00 0.00 H new ATOM 0 HG2 LYS A 158 62.529 -3.901 0.605 1.00 0.00 H new ATOM 0 HG3 LYS A 158 63.129 -4.101 2.239 1.00 0.00 H new ATOM 0 HD2 LYS A 158 63.402 -6.179 0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 158 62.475 -6.461 2.276 1.00 0.00 H new ATOM 0 HE2 LYS A 158 61.130 -7.496 0.580 1.00 0.00 H new ATOM 0 HE3 LYS A 158 60.353 -5.939 0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 60.921 -6.450 -1.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 61.665 -5.028 -1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 62.567 -6.460 -1.161 1.00 0.00 H new ATOM 983 N GLU A 159 59.481 -1.604 4.167 1.00 0.00 N ATOM 984 CA GLU A 159 58.628 -0.400 4.071 1.00 0.00 C ATOM 985 C GLU A 159 59.495 0.777 4.471 1.00 0.00 C ATOM 986 O GLU A 159 59.255 1.455 5.449 1.00 0.00 O ATOM 987 CB GLU A 159 57.518 -0.601 5.081 1.00 0.00 C ATOM 988 CG GLU A 159 56.551 -1.677 4.585 1.00 0.00 C ATOM 989 CD GLU A 159 57.192 -3.054 4.755 1.00 0.00 C ATOM 990 OE1 GLU A 159 57.982 -3.208 5.672 1.00 0.00 O ATOM 991 OE2 GLU A 159 56.884 -3.931 3.965 1.00 0.00 O ATOM 0 H GLU A 159 59.452 -2.094 5.061 1.00 0.00 H new ATOM 0 HA GLU A 159 58.213 -0.230 3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 159 57.939 -0.893 6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 159 56.984 0.336 5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 159 55.617 -1.627 5.144 1.00 0.00 H new ATOM 0 HG3 GLU A 159 56.305 -1.505 3.537 1.00 0.00 H new ATOM 998 N HIS A 160 60.534 0.979 3.729 1.00 0.00 N ATOM 999 CA HIS A 160 61.489 2.067 4.049 1.00 0.00 C ATOM 1000 C HIS A 160 61.039 3.381 3.411 1.00 0.00 C ATOM 1001 O HIS A 160 60.029 3.443 2.739 1.00 0.00 O ATOM 1002 CB HIS A 160 62.813 1.608 3.445 1.00 0.00 C ATOM 1003 CG HIS A 160 63.393 0.518 4.298 1.00 0.00 C ATOM 1004 ND1 HIS A 160 64.674 0.603 4.861 1.00 0.00 N ATOM 1005 CD2 HIS A 160 62.882 -0.692 4.705 1.00 0.00 C ATOM 1006 CE1 HIS A 160 64.881 -0.527 5.570 1.00 0.00 C ATOM 1007 NE2 HIS A 160 63.823 -1.320 5.493 1.00 0.00 N ATOM 0 H HIS A 160 60.769 0.431 2.902 1.00 0.00 H new ATOM 0 HA HIS A 160 61.563 2.249 5.121 1.00 0.00 H new ATOM 0 HB2 HIS A 160 62.657 1.247 2.429 1.00 0.00 H new ATOM 0 HB3 HIS A 160 63.508 2.446 3.382 1.00 0.00 H new ATOM 0 HD2 HIS A 160 61.908 -1.084 4.450 1.00 0.00 H new ATOM 0 HE1 HIS A 160 65.782 -0.752 6.122 1.00 0.00 H new ATOM 0 HE2 HIS A 160 63.722 -2.233 5.937 1.00 0.00 H new ATOM 1015 N LYS A 161 61.782 4.432 3.616 1.00 0.00 N ATOM 1016 CA LYS A 161 61.394 5.740 3.020 1.00 0.00 C ATOM 1017 C LYS A 161 62.424 6.810 3.382 1.00 0.00 C ATOM 1018 O LYS A 161 62.290 7.506 4.369 1.00 0.00 O ATOM 1019 CB LYS A 161 60.037 6.072 3.642 1.00 0.00 C ATOM 1020 CG LYS A 161 59.199 6.873 2.643 1.00 0.00 C ATOM 1021 CD LYS A 161 57.766 6.999 3.164 1.00 0.00 C ATOM 1022 CE LYS A 161 57.212 5.607 3.474 1.00 0.00 C ATOM 1023 NZ LYS A 161 55.738 5.732 3.303 1.00 0.00 N ATOM 0 H LYS A 161 62.639 4.442 4.169 1.00 0.00 H new ATOM 0 HA LYS A 161 61.345 5.700 1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 161 59.516 5.154 3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 161 60.176 6.645 4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 161 59.633 7.862 2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 161 59.202 6.379 1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 161 57.747 7.618 4.061 1.00 0.00 H new ATOM 0 HD3 LYS A 161 57.140 7.494 2.422 1.00 0.00 H new ATOM 0 HE2 LYS A 161 57.626 4.858 2.798 1.00 0.00 H new ATOM 0 HE3 LYS A 161 57.467 5.297 4.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 55.287 4.816 3.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 55.371 6.447 3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 55.525 6.021 2.327 1.00 0.00 H new ATOM 1037 N LEU A 162 63.448 6.954 2.589 1.00 0.00 N ATOM 1038 CA LEU A 162 64.477 7.989 2.892 1.00 0.00 C ATOM 1039 C LEU A 162 64.276 9.196 1.974 1.00 0.00 C ATOM 1040 O LEU A 162 63.956 9.053 0.810 1.00 0.00 O ATOM 1041 CB LEU A 162 65.829 7.325 2.618 1.00 0.00 C ATOM 1042 CG LEU A 162 65.881 5.947 3.278 1.00 0.00 C ATOM 1043 CD1 LEU A 162 65.234 4.909 2.361 1.00 0.00 C ATOM 1044 CD2 LEU A 162 67.342 5.563 3.527 1.00 0.00 C ATOM 0 H LEU A 162 63.618 6.403 1.748 1.00 0.00 H new ATOM 0 HA LEU A 162 64.413 8.344 3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 162 65.984 7.228 1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 162 66.635 7.951 3.001 1.00 0.00 H new ATOM 0 HG LEU A 162 65.340 5.978 4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 162 65.274 3.929 2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 162 64.195 5.182 2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 162 65.772 4.875 1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 162 67.385 4.581 3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 162 67.877 5.534 2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 162 67.805 6.300 4.183 1.00 0.00 H new ATOM 1056 N ASN A 163 64.449 10.383 2.488 1.00 0.00 N ATOM 1057 CA ASN A 163 64.255 11.595 1.640 1.00 0.00 C ATOM 1058 C ASN A 163 62.844 11.592 1.050 1.00 0.00 C ATOM 1059 O ASN A 163 62.552 12.297 0.104 1.00 0.00 O ATOM 1060 CB ASN A 163 65.300 11.477 0.527 1.00 0.00 C ATOM 1061 CG ASN A 163 66.701 11.436 1.140 1.00 0.00 C ATOM 1062 OD1 ASN A 163 67.509 10.604 0.776 1.00 0.00 O ATOM 1063 ND2 ASN A 163 67.027 12.305 2.056 1.00 0.00 N ATOM 0 H ASN A 163 64.715 10.567 3.455 1.00 0.00 H new ATOM 0 HA ASN A 163 64.369 12.520 2.205 1.00 0.00 H new ATOM 0 HB2 ASN A 163 65.122 10.575 -0.059 1.00 0.00 H new ATOM 0 HB3 ASN A 163 65.216 12.322 -0.156 1.00 0.00 H new ATOM 0 HD21 ASN A 163 67.960 12.287 2.467 1.00 0.00 H new ATOM 0 HD22 ASN A 163 66.349 13.003 2.361 1.00 0.00 H new ATOM 1070 N GLY A 164 61.965 10.799 1.602 1.00 0.00 N ATOM 1071 CA GLY A 164 60.575 10.744 1.073 1.00 0.00 C ATOM 1072 C GLY A 164 60.532 9.808 -0.136 1.00 0.00 C ATOM 1073 O GLY A 164 59.771 10.009 -1.062 1.00 0.00 O ATOM 0 H GLY A 164 62.151 10.187 2.397 1.00 0.00 H new ATOM 0 HA2 GLY A 164 59.893 10.390 1.846 1.00 0.00 H new ATOM 0 HA3 GLY A 164 60.242 11.742 0.787 1.00 0.00 H new ATOM 1077 N LYS A 165 61.346 8.787 -0.139 1.00 0.00 N ATOM 1078 CA LYS A 165 61.352 7.845 -1.295 1.00 0.00 C ATOM 1079 C LYS A 165 61.699 6.426 -0.829 1.00 0.00 C ATOM 1080 O LYS A 165 62.733 6.193 -0.235 1.00 0.00 O ATOM 1081 CB LYS A 165 62.436 8.380 -2.233 1.00 0.00 C ATOM 1082 CG LYS A 165 62.245 7.785 -3.630 1.00 0.00 C ATOM 1083 CD LYS A 165 61.153 8.562 -4.371 1.00 0.00 C ATOM 1084 CE LYS A 165 60.439 7.631 -5.353 1.00 0.00 C ATOM 1085 NZ LYS A 165 58.987 7.849 -5.105 1.00 0.00 N ATOM 0 H LYS A 165 62.005 8.565 0.607 1.00 0.00 H new ATOM 0 HA LYS A 165 60.379 7.787 -1.782 1.00 0.00 H new ATOM 0 HB2 LYS A 165 62.386 9.468 -2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 165 63.423 8.123 -1.849 1.00 0.00 H new ATOM 0 HG2 LYS A 165 63.181 7.831 -4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 165 61.970 6.733 -3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 165 60.438 8.973 -3.659 1.00 0.00 H new ATOM 0 HD3 LYS A 165 61.591 9.405 -4.906 1.00 0.00 H new ATOM 0 HE2 LYS A 165 60.703 7.867 -6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 165 60.716 6.591 -5.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 58.431 7.244 -5.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 58.764 7.609 -4.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 58.751 8.846 -5.281 1.00 0.00 H new ATOM 1099 N VAL A 166 60.842 5.478 -1.102 1.00 0.00 N ATOM 1100 CA VAL A 166 61.121 4.073 -0.685 1.00 0.00 C ATOM 1101 C VAL A 166 62.447 3.604 -1.287 1.00 0.00 C ATOM 1102 O VAL A 166 63.048 4.284 -2.094 1.00 0.00 O ATOM 1103 CB VAL A 166 59.959 3.259 -1.252 1.00 0.00 C ATOM 1104 CG1 VAL A 166 60.003 1.839 -0.685 1.00 0.00 C ATOM 1105 CG2 VAL A 166 58.636 3.922 -0.861 1.00 0.00 C ATOM 0 H VAL A 166 59.960 5.616 -1.596 1.00 0.00 H new ATOM 0 HA VAL A 166 61.205 3.967 0.397 1.00 0.00 H new ATOM 0 HB VAL A 166 60.041 3.218 -2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 166 59.174 1.260 -1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 166 60.945 1.366 -0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 166 59.922 1.878 0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 166 57.806 3.343 -1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 166 58.556 3.962 0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 166 58.603 4.934 -1.265 1.00 0.00 H new ATOM 1115 N ILE A 167 62.910 2.447 -0.900 1.00 0.00 N ATOM 1116 CA ILE A 167 64.202 1.940 -1.453 1.00 0.00 C ATOM 1117 C ILE A 167 64.073 0.484 -1.901 1.00 0.00 C ATOM 1118 O ILE A 167 63.041 -0.142 -1.751 1.00 0.00 O ATOM 1119 CB ILE A 167 65.223 2.033 -0.313 1.00 0.00 C ATOM 1120 CG1 ILE A 167 64.522 1.930 1.048 1.00 0.00 C ATOM 1121 CG2 ILE A 167 65.977 3.359 -0.407 1.00 0.00 C ATOM 1122 CD1 ILE A 167 65.542 1.525 2.115 1.00 0.00 C ATOM 0 H ILE A 167 62.453 1.831 -0.227 1.00 0.00 H new ATOM 0 HA ILE A 167 64.502 2.525 -2.322 1.00 0.00 H new ATOM 0 HB ILE A 167 65.927 1.206 -0.405 1.00 0.00 H new ATOM 0 HG12 ILE A 167 64.067 2.886 1.308 1.00 0.00 H new ATOM 0 HG13 ILE A 167 63.718 1.196 1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 167 66.702 3.423 0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 167 66.496 3.415 -1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 167 65.271 4.186 -0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 167 65.046 1.451 3.083 1.00 0.00 H new ATOM 0 HD12 ILE A 167 65.976 0.560 1.855 1.00 0.00 H new ATOM 0 HD13 ILE A 167 66.331 2.275 2.168 1.00 0.00 H new ATOM 1134 N ASP A 168 65.132 -0.058 -2.435 1.00 0.00 N ATOM 1135 CA ASP A 168 65.118 -1.477 -2.885 1.00 0.00 C ATOM 1136 C ASP A 168 66.313 -2.204 -2.262 1.00 0.00 C ATOM 1137 O ASP A 168 67.334 -2.378 -2.897 1.00 0.00 O ATOM 1138 CB ASP A 168 65.257 -1.418 -4.408 1.00 0.00 C ATOM 1139 CG ASP A 168 64.930 -2.788 -5.005 1.00 0.00 C ATOM 1140 OD1 ASP A 168 65.704 -3.706 -4.788 1.00 0.00 O ATOM 1141 OD2 ASP A 168 63.913 -2.895 -5.670 1.00 0.00 O ATOM 0 H ASP A 168 66.017 0.428 -2.580 1.00 0.00 H new ATOM 0 HA ASP A 168 64.213 -2.008 -2.591 1.00 0.00 H new ATOM 0 HB2 ASP A 168 64.586 -0.662 -4.816 1.00 0.00 H new ATOM 0 HB3 ASP A 168 66.271 -1.124 -4.680 1.00 0.00 H new ATOM 1146 N PRO A 169 66.148 -2.584 -1.024 1.00 0.00 N ATOM 1147 CA PRO A 169 67.233 -3.278 -0.283 1.00 0.00 C ATOM 1148 C PRO A 169 67.452 -4.696 -0.819 1.00 0.00 C ATOM 1149 O PRO A 169 66.523 -5.463 -0.983 1.00 0.00 O ATOM 1150 CB PRO A 169 66.722 -3.309 1.155 1.00 0.00 C ATOM 1151 CG PRO A 169 65.235 -3.212 1.039 1.00 0.00 C ATOM 1152 CD PRO A 169 64.945 -2.409 -0.202 1.00 0.00 C ATOM 0 HA PRO A 169 68.196 -2.777 -0.381 1.00 0.00 H new ATOM 0 HB2 PRO A 169 67.019 -4.228 1.660 1.00 0.00 H new ATOM 0 HB3 PRO A 169 67.127 -2.481 1.736 1.00 0.00 H new ATOM 0 HG2 PRO A 169 64.787 -4.204 0.971 1.00 0.00 H new ATOM 0 HG3 PRO A 169 64.810 -2.730 1.919 1.00 0.00 H new ATOM 0 HD2 PRO A 169 64.054 -2.773 -0.714 1.00 0.00 H new ATOM 0 HD3 PRO A 169 64.771 -1.359 0.033 1.00 0.00 H new ATOM 1160 N LYS A 170 68.681 -5.049 -1.085 1.00 0.00 N ATOM 1161 CA LYS A 170 68.975 -6.417 -1.603 1.00 0.00 C ATOM 1162 C LYS A 170 70.329 -6.897 -1.091 1.00 0.00 C ATOM 1163 O LYS A 170 70.971 -6.247 -0.291 1.00 0.00 O ATOM 1164 CB LYS A 170 69.040 -6.279 -3.117 1.00 0.00 C ATOM 1165 CG LYS A 170 67.747 -6.805 -3.741 1.00 0.00 C ATOM 1166 CD LYS A 170 67.545 -8.268 -3.340 1.00 0.00 C ATOM 1167 CE LYS A 170 66.631 -8.955 -4.359 1.00 0.00 C ATOM 1168 NZ LYS A 170 65.247 -8.700 -3.871 1.00 0.00 N ATOM 0 H LYS A 170 69.496 -4.448 -0.966 1.00 0.00 H new ATOM 0 HA LYS A 170 68.218 -7.132 -1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 170 69.188 -5.234 -3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 170 69.894 -6.834 -3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 170 66.900 -6.205 -3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 170 67.793 -6.717 -4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 170 68.506 -8.780 -3.295 1.00 0.00 H new ATOM 0 HD3 LYS A 170 67.106 -8.326 -2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 170 66.778 -8.547 -5.359 1.00 0.00 H new ATOM 0 HE3 LYS A 170 66.838 -10.024 -4.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 64.564 -9.141 -4.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 65.134 -9.106 -2.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 65.076 -7.675 -3.833 1.00 0.00 H new ATOM 1182 N ARG A 171 70.773 -8.030 -1.560 1.00 0.00 N ATOM 1183 CA ARG A 171 72.091 -8.547 -1.114 1.00 0.00 C ATOM 1184 C ARG A 171 73.200 -8.072 -2.057 1.00 0.00 C ATOM 1185 O ARG A 171 72.985 -7.245 -2.920 1.00 0.00 O ATOM 1186 CB ARG A 171 71.963 -10.070 -1.148 1.00 0.00 C ATOM 1187 CG ARG A 171 71.766 -10.535 -2.592 1.00 0.00 C ATOM 1188 CD ARG A 171 70.357 -11.109 -2.754 1.00 0.00 C ATOM 1189 NE ARG A 171 70.371 -12.388 -1.992 1.00 0.00 N ATOM 1190 CZ ARG A 171 71.267 -13.300 -2.262 1.00 0.00 C ATOM 1191 NH1 ARG A 171 71.049 -14.171 -3.209 1.00 0.00 N ATOM 1192 NH2 ARG A 171 72.381 -13.341 -1.582 1.00 0.00 N ATOM 0 H ARG A 171 70.279 -8.617 -2.232 1.00 0.00 H new ATOM 0 HA ARG A 171 72.353 -8.189 -0.119 1.00 0.00 H new ATOM 0 HB2 ARG A 171 72.856 -10.530 -0.726 1.00 0.00 H new ATOM 0 HB3 ARG A 171 71.120 -10.388 -0.534 1.00 0.00 H new ATOM 0 HG2 ARG A 171 71.911 -9.700 -3.277 1.00 0.00 H new ATOM 0 HG3 ARG A 171 72.510 -11.290 -2.847 1.00 0.00 H new ATOM 0 HD2 ARG A 171 69.605 -10.425 -2.362 1.00 0.00 H new ATOM 0 HD3 ARG A 171 70.118 -11.278 -3.804 1.00 0.00 H new ATOM 0 HE ARG A 171 69.681 -12.552 -1.259 1.00 0.00 H new ATOM 0 HH11 ARG A 171 70.178 -14.140 -3.739 1.00 0.00 H new ATOM 0 HH12 ARG A 171 71.749 -14.882 -3.419 1.00 0.00 H new ATOM 0 HH21 ARG A 171 72.551 -12.661 -0.841 1.00 0.00 H new ATOM 0 HH22 ARG A 171 73.081 -14.053 -1.792 1.00 0.00 H new ATOM 1206 N ALA A 172 74.386 -8.592 -1.896 1.00 0.00 N ATOM 1207 CA ALA A 172 75.515 -8.178 -2.782 1.00 0.00 C ATOM 1208 C ALA A 172 76.672 -9.175 -2.663 1.00 0.00 C ATOM 1209 O ALA A 172 77.403 -9.178 -1.693 1.00 0.00 O ATOM 1210 CB ALA A 172 75.938 -6.803 -2.265 1.00 0.00 C ATOM 0 H ALA A 172 74.624 -9.287 -1.188 1.00 0.00 H new ATOM 0 HA ALA A 172 75.227 -8.148 -3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 172 76.767 -6.428 -2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 172 75.097 -6.113 -2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 172 76.252 -6.886 -1.225 1.00 0.00 H new TER 1216 ALA A 172