USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 955 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 39 CYS SG : rot 87:sc= -3.99! USER MOD Set 1.2: A 63 ASN : amide:sc= -9.97! C(o=-14!,f=-23!) USER MOD Set 2.1: A 20 TYR OH : rot 165:sc= -1.2! USER MOD Set 2.2: A 43 HIS : no HE2:sc= -7.64! C(o=-8.8!,f=-26!) USER MOD Set 3.1: A 22 HIS : no HE2:sc= -6.62! C(o=-6.7!,f=-15!) USER MOD Set 3.2: A 36 MET CE :methyl -174:sc= -0.0471 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -140:sc= -2.86! (180deg=-6.03!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -161:sc= -0.085 (180deg=-0.658) USER MOD Single : A 7 ASN : amide:sc= 0.719 K(o=0.72,f=-1.9!) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 13:sc= 1.82 USER MOD Single : A 16 MET CE :methyl -169:sc= -1.19 (180deg=-1.52) USER MOD Single : A 17 THR OG1 : rot 90:sc= -0.798 USER MOD Single : A 19 ASN : amide:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 27 ASN :FLIP amide:sc= -1.67 F(o=-3.8!,f=-1.7) USER MOD Single : A 29 SER OG : rot 83:sc= 0.917 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 100:sc= 0.115 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 166:sc= -0.571 (180deg=-1.03) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.506 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0376 X(o=-0.038,f=0) USER MOD Single : A 65 THR OG1 : rot 82:sc= -0.173 USER MOD Single : A 69 SER OG : rot -170:sc= -0.0237 USER MOD Single : A 70 THR OG1 : rot 95:sc= 0.742 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot -60:sc= -4.09 USER MOD Single : A 79 GLN :FLIP amide:sc= -0.23 F(o=-0.9,f=-0.23) USER MOD Single : A 86 MET CE :methyl -165:sc= -0.0247 (180deg=-0.0886) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -135:sc= 0.321 (180deg=-0.786) USER MOD Single : A 96 CYS SG : rot -61:sc= -2.22! USER MOD Single : A 98 TYR OH : rot 165:sc= 0 USER MOD Single : A 99 THR OG1 : rot 93:sc= 0.858 USER MOD Single : A 100 TYR OH : rot 165:sc= -0.0487 USER MOD Single : A 102 GLN :FLIP amide:sc=-0.00341 F(o=-1,f=-0.0034) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -1.84! X(o=-1.8!,f=-1.5) USER MOD Single : A 111 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0501) USER MOD Single : A 115 LYS NZ :NH3+ -167:sc= -0.0112 (180deg=-0.292) USER MOD Single : A 116 THR OG1 : rot -16:sc= 0.539 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -154:sc= -0.832 (180deg=-1.41) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.986 17.602 7.224 1.00 0.00 N ATOM 2 CA GLY A 1 11.377 17.801 8.570 1.00 0.00 C ATOM 3 C GLY A 1 10.095 18.615 8.433 1.00 0.00 C ATOM 4 O GLY A 1 9.048 18.233 8.957 1.00 0.00 O ATOM 0 H1 GLY A 1 12.359 16.634 7.151 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.264 17.751 6.491 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.761 18.282 7.090 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.161 16.836 9.029 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.079 18.316 9.226 1.00 0.00 H new ATOM 10 N PRO A 2 10.156 19.721 7.736 1.00 0.00 N ATOM 11 CA PRO A 2 8.970 20.592 7.524 1.00 0.00 C ATOM 12 C PRO A 2 7.973 19.910 6.595 1.00 0.00 C ATOM 13 O PRO A 2 6.764 20.126 6.677 1.00 0.00 O ATOM 14 CB PRO A 2 9.534 21.893 6.901 1.00 0.00 C ATOM 15 CG PRO A 2 11.029 21.706 6.769 1.00 0.00 C ATOM 16 CD PRO A 2 11.354 20.237 7.069 1.00 0.00 C ATOM 0 HA PRO A 2 8.430 20.798 8.448 1.00 0.00 H new ATOM 0 HB2 PRO A 2 9.081 22.083 5.928 1.00 0.00 H new ATOM 0 HB3 PRO A 2 9.307 22.753 7.531 1.00 0.00 H new ATOM 0 HG2 PRO A 2 11.358 21.971 5.764 1.00 0.00 H new ATOM 0 HG3 PRO A 2 11.557 22.362 7.461 1.00 0.00 H new ATOM 0 HD2 PRO A 2 11.568 19.684 6.154 1.00 0.00 H new ATOM 0 HD3 PRO A 2 12.233 20.148 7.708 1.00 0.00 H new ATOM 24 N LEU A 3 8.512 19.081 5.710 1.00 0.00 N ATOM 25 CA LEU A 3 7.705 18.347 4.752 1.00 0.00 C ATOM 26 C LEU A 3 6.809 17.340 5.462 1.00 0.00 C ATOM 27 O LEU A 3 5.665 17.119 5.060 1.00 0.00 O ATOM 28 CB LEU A 3 8.623 17.637 3.750 1.00 0.00 C ATOM 29 CG LEU A 3 9.312 18.684 2.854 1.00 0.00 C ATOM 30 CD1 LEU A 3 10.450 18.027 2.055 1.00 0.00 C ATOM 31 CD2 LEU A 3 8.287 19.311 1.883 1.00 0.00 C ATOM 0 H LEU A 3 9.514 18.901 5.638 1.00 0.00 H new ATOM 0 HA LEU A 3 7.064 19.047 4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.371 17.048 4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.045 16.944 3.139 1.00 0.00 H new ATOM 0 HG LEU A 3 9.727 19.468 3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.931 18.775 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.183 17.607 2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.044 17.232 1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.785 20.049 1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.857 18.531 1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.495 19.796 2.453 1.00 0.00 H new ATOM 43 N GLY A 4 7.340 16.725 6.514 1.00 0.00 N ATOM 44 CA GLY A 4 6.585 15.732 7.277 1.00 0.00 C ATOM 45 C GLY A 4 6.854 14.330 6.745 1.00 0.00 C ATOM 46 O GLY A 4 7.317 14.160 5.617 1.00 0.00 O ATOM 0 H GLY A 4 8.285 16.894 6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.862 15.787 8.330 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.519 15.952 7.216 1.00 0.00 H new ATOM 50 N SER A 5 6.565 13.329 7.568 1.00 0.00 N ATOM 51 CA SER A 5 6.776 11.937 7.180 1.00 0.00 C ATOM 52 C SER A 5 5.574 11.404 6.409 1.00 0.00 C ATOM 53 O SER A 5 5.662 11.109 5.221 1.00 0.00 O ATOM 54 CB SER A 5 7.004 11.082 8.422 1.00 0.00 C ATOM 55 OG SER A 5 8.190 11.511 9.077 1.00 0.00 O ATOM 0 H SER A 5 6.185 13.453 8.506 1.00 0.00 H new ATOM 0 HA SER A 5 7.654 11.889 6.536 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.152 11.166 9.097 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.088 10.031 8.144 1.00 0.00 H new ATOM 0 HG SER A 5 8.338 10.964 9.877 1.00 0.00 H new ATOM 61 N LYS A 6 4.449 11.282 7.101 1.00 0.00 N ATOM 62 CA LYS A 6 3.231 10.777 6.481 1.00 0.00 C ATOM 63 C LYS A 6 2.974 11.475 5.152 1.00 0.00 C ATOM 64 O LYS A 6 2.485 10.861 4.203 1.00 0.00 O ATOM 65 CB LYS A 6 2.045 11.004 7.422 1.00 0.00 C ATOM 66 CG LYS A 6 1.883 12.504 7.692 1.00 0.00 C ATOM 67 CD LYS A 6 0.766 12.727 8.714 1.00 0.00 C ATOM 68 CE LYS A 6 0.549 14.231 8.922 1.00 0.00 C ATOM 69 NZ LYS A 6 1.828 14.864 9.347 1.00 0.00 N ATOM 0 H LYS A 6 4.354 11.524 8.087 1.00 0.00 H new ATOM 0 HA LYS A 6 3.351 9.710 6.293 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.134 10.604 6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.204 10.471 8.359 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.819 12.919 8.066 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.650 13.027 6.765 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.156 12.261 8.367 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.026 12.253 9.660 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.194 14.689 7.999 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.220 14.397 9.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.630 15.783 9.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.311 14.246 10.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.438 15.005 8.517 1.00 0.00 H new ATOM 83 N ASN A 7 3.307 12.759 5.090 1.00 0.00 N ATOM 84 CA ASN A 7 3.106 13.523 3.868 1.00 0.00 C ATOM 85 C ASN A 7 3.940 12.928 2.741 1.00 0.00 C ATOM 86 O ASN A 7 3.474 12.795 1.610 1.00 0.00 O ATOM 87 CB ASN A 7 3.519 14.979 4.097 1.00 0.00 C ATOM 88 CG ASN A 7 2.520 15.665 5.020 1.00 0.00 C ATOM 89 OD1 ASN A 7 1.398 15.188 5.188 1.00 0.00 O ATOM 90 ND2 ASN A 7 2.863 16.765 5.635 1.00 0.00 N ATOM 0 H ASN A 7 3.713 13.287 5.863 1.00 0.00 H new ATOM 0 HA ASN A 7 2.052 13.484 3.593 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.517 15.018 4.534 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.568 15.506 3.144 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.201 17.230 6.256 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.793 17.159 5.495 1.00 0.00 H new ATOM 97 N MET A 8 5.176 12.563 3.068 1.00 0.00 N ATOM 98 CA MET A 8 6.076 11.973 2.087 1.00 0.00 C ATOM 99 C MET A 8 5.487 10.679 1.539 1.00 0.00 C ATOM 100 O MET A 8 5.441 10.468 0.329 1.00 0.00 O ATOM 101 CB MET A 8 7.428 11.686 2.754 1.00 0.00 C ATOM 102 CG MET A 8 8.412 11.085 1.746 1.00 0.00 C ATOM 103 SD MET A 8 8.733 12.271 0.420 1.00 0.00 S ATOM 104 CE MET A 8 9.470 11.103 -0.748 1.00 0.00 C ATOM 0 H MET A 8 5.575 12.665 4.001 1.00 0.00 H new ATOM 0 HA MET A 8 6.213 12.670 1.260 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.839 12.608 3.166 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.289 10.998 3.588 1.00 0.00 H new ATOM 0 HG2 MET A 8 9.345 10.824 2.246 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.004 10.163 1.331 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.750 11.629 -1.661 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.357 10.653 -0.302 1.00 0.00 H new ATOM 0 HE3 MET A 8 8.748 10.322 -0.987 1.00 0.00 H new ATOM 114 N LEU A 9 5.034 9.820 2.443 1.00 0.00 N ATOM 115 CA LEU A 9 4.447 8.550 2.061 1.00 0.00 C ATOM 116 C LEU A 9 3.159 8.770 1.289 1.00 0.00 C ATOM 117 O LEU A 9 2.903 8.108 0.286 1.00 0.00 O ATOM 118 CB LEU A 9 4.143 7.746 3.319 1.00 0.00 C ATOM 119 CG LEU A 9 5.439 7.304 3.985 1.00 0.00 C ATOM 120 CD1 LEU A 9 5.114 6.700 5.352 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.176 6.266 3.111 1.00 0.00 C ATOM 0 H LEU A 9 5.064 9.984 3.449 1.00 0.00 H new ATOM 0 HA LEU A 9 5.151 8.011 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.556 8.349 4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.540 6.874 3.066 1.00 0.00 H new ATOM 0 HG LEU A 9 6.092 8.169 4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.036 6.380 5.837 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.618 7.447 5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.455 5.841 5.223 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.099 5.964 3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.539 5.393 2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.411 6.707 2.142 1.00 0.00 H new ATOM 133 N LEU A 10 2.348 9.699 1.780 1.00 0.00 N ATOM 134 CA LEU A 10 1.071 9.992 1.140 1.00 0.00 C ATOM 135 C LEU A 10 1.317 10.488 -0.281 1.00 0.00 C ATOM 136 O LEU A 10 0.688 10.026 -1.234 1.00 0.00 O ATOM 137 CB LEU A 10 0.309 11.050 1.960 1.00 0.00 C ATOM 138 CG LEU A 10 -1.047 11.369 1.306 1.00 0.00 C ATOM 139 CD1 LEU A 10 -1.902 10.096 1.222 1.00 0.00 C ATOM 140 CD2 LEU A 10 -1.788 12.437 2.138 1.00 0.00 C ATOM 0 H LEU A 10 2.548 10.257 2.610 1.00 0.00 H new ATOM 0 HA LEU A 10 0.466 9.087 1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.152 10.687 2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.906 11.959 2.035 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.875 11.750 0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.860 10.331 0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.383 9.348 0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.071 9.705 2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.748 12.660 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.954 12.061 3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.187 13.345 2.183 1.00 0.00 H new ATOM 152 N GLU A 11 2.249 11.419 -0.410 1.00 0.00 N ATOM 153 CA GLU A 11 2.602 11.979 -1.710 1.00 0.00 C ATOM 154 C GLU A 11 3.042 10.874 -2.648 1.00 0.00 C ATOM 155 O GLU A 11 2.598 10.757 -3.791 1.00 0.00 O ATOM 156 CB GLU A 11 3.769 12.932 -1.506 1.00 0.00 C ATOM 157 CG GLU A 11 4.063 13.682 -2.801 1.00 0.00 C ATOM 158 CD GLU A 11 5.179 14.695 -2.572 1.00 0.00 C ATOM 159 OE1 GLU A 11 6.177 14.324 -1.975 1.00 0.00 O ATOM 160 OE2 GLU A 11 5.019 15.827 -2.995 1.00 0.00 O ATOM 0 H GLU A 11 2.778 11.806 0.372 1.00 0.00 H new ATOM 0 HA GLU A 11 1.741 12.492 -2.138 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.536 13.640 -0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.652 12.376 -1.189 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.353 12.978 -3.581 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.164 14.191 -3.149 1.00 0.00 H new ATOM 167 N TRP A 12 3.935 10.085 -2.109 1.00 0.00 N ATOM 168 CA TRP A 12 4.539 8.950 -2.779 1.00 0.00 C ATOM 169 C TRP A 12 3.482 7.908 -3.169 1.00 0.00 C ATOM 170 O TRP A 12 3.274 7.632 -4.352 1.00 0.00 O ATOM 171 CB TRP A 12 5.516 8.405 -1.748 1.00 0.00 C ATOM 172 CG TRP A 12 6.299 7.237 -2.216 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.387 7.280 -3.010 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.110 5.857 -1.843 1.00 0.00 C ATOM 175 NE1 TRP A 12 7.876 5.992 -3.157 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.114 5.077 -2.454 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.159 5.219 -1.040 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.174 3.696 -2.267 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.210 3.831 -0.846 1.00 0.00 C ATOM 180 CH2 TRP A 12 6.218 3.070 -1.459 1.00 0.00 C ATOM 0 H TRP A 12 4.278 10.215 -1.157 1.00 0.00 H new ATOM 0 HA TRP A 12 5.029 9.219 -3.715 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.205 9.199 -1.460 1.00 0.00 H new ATOM 0 HB3 TRP A 12 4.963 8.123 -0.852 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.807 8.169 -3.457 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.695 5.749 -3.714 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.381 5.799 -0.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 7.951 3.115 -2.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.472 3.346 -0.224 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.256 2.001 -1.307 1.00 0.00 H new ATOM 191 N CYS A 13 2.812 7.343 -2.172 1.00 0.00 N ATOM 192 CA CYS A 13 1.782 6.332 -2.421 1.00 0.00 C ATOM 193 C CYS A 13 0.766 6.834 -3.454 1.00 0.00 C ATOM 194 O CYS A 13 0.436 6.134 -4.411 1.00 0.00 O ATOM 195 CB CYS A 13 1.066 6.022 -1.096 1.00 0.00 C ATOM 196 SG CYS A 13 1.967 4.733 -0.199 1.00 0.00 S ATOM 0 H CYS A 13 2.959 7.564 -1.187 1.00 0.00 H new ATOM 0 HA CYS A 13 2.251 5.431 -2.816 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.001 6.924 -0.487 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.045 5.696 -1.292 1.00 0.00 H new ATOM 0 HG CYS A 13 3.140 4.570 -0.736 1.00 0.00 H new ATOM 202 N ARG A 14 0.278 8.048 -3.234 1.00 0.00 N ATOM 203 CA ARG A 14 -0.706 8.651 -4.133 1.00 0.00 C ATOM 204 C ARG A 14 -0.131 8.779 -5.536 1.00 0.00 C ATOM 205 O ARG A 14 -0.774 8.444 -6.530 1.00 0.00 O ATOM 206 CB ARG A 14 -1.062 10.048 -3.639 1.00 0.00 C ATOM 207 CG ARG A 14 -2.237 10.605 -4.455 1.00 0.00 C ATOM 208 CD ARG A 14 -2.500 12.056 -4.046 1.00 0.00 C ATOM 209 NE ARG A 14 -3.691 12.567 -4.730 1.00 0.00 N ATOM 210 CZ ARG A 14 -4.870 12.634 -4.116 1.00 0.00 C ATOM 211 NH1 ARG A 14 -5.589 11.557 -3.965 1.00 0.00 N ATOM 212 NH2 ARG A 14 -5.303 13.778 -3.660 1.00 0.00 N ATOM 0 H ARG A 14 0.545 8.636 -2.444 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.590 8.014 -4.151 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.326 10.014 -2.582 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.199 10.707 -3.731 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.012 10.551 -5.520 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.129 10.001 -4.287 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.637 12.118 -2.966 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.637 12.673 -4.294 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.615 12.878 -5.698 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.248 10.663 -4.317 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.492 11.609 -3.494 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.738 14.619 -3.774 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.206 13.830 -3.189 1.00 0.00 H new ATOM 226 N ALA A 15 1.081 9.287 -5.596 1.00 0.00 N ATOM 227 CA ALA A 15 1.760 9.494 -6.874 1.00 0.00 C ATOM 228 C ALA A 15 1.814 8.207 -7.689 1.00 0.00 C ATOM 229 O ALA A 15 1.939 8.243 -8.915 1.00 0.00 O ATOM 230 CB ALA A 15 3.180 9.998 -6.626 1.00 0.00 C ATOM 0 H ALA A 15 1.624 9.567 -4.779 1.00 0.00 H new ATOM 0 HA ALA A 15 1.195 10.234 -7.440 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.684 10.151 -7.580 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.141 10.941 -6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.730 9.262 -6.040 1.00 0.00 H new ATOM 236 N MET A 16 1.734 7.070 -7.006 1.00 0.00 N ATOM 237 CA MET A 16 1.786 5.769 -7.672 1.00 0.00 C ATOM 238 C MET A 16 0.403 5.113 -7.689 1.00 0.00 C ATOM 239 O MET A 16 0.228 4.027 -8.241 1.00 0.00 O ATOM 240 CB MET A 16 2.796 4.872 -6.941 1.00 0.00 C ATOM 241 CG MET A 16 4.220 5.225 -7.392 1.00 0.00 C ATOM 242 SD MET A 16 4.505 7.005 -7.181 1.00 0.00 S ATOM 243 CE MET A 16 5.633 6.911 -5.768 1.00 0.00 C ATOM 0 H MET A 16 1.633 7.021 -5.992 1.00 0.00 H new ATOM 0 HA MET A 16 2.102 5.907 -8.706 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.702 5.005 -5.863 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.586 3.824 -7.153 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.947 4.659 -6.810 1.00 0.00 H new ATOM 0 HG3 MET A 16 4.361 4.946 -8.436 1.00 0.00 H new ATOM 0 HE1 MET A 16 5.779 7.908 -5.352 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.207 6.259 -5.005 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.592 6.509 -6.094 1.00 0.00 H new ATOM 253 N THR A 17 -0.576 5.781 -7.081 1.00 0.00 N ATOM 254 CA THR A 17 -1.946 5.258 -7.032 1.00 0.00 C ATOM 255 C THR A 17 -2.796 5.810 -8.184 1.00 0.00 C ATOM 256 O THR A 17 -3.919 5.358 -8.414 1.00 0.00 O ATOM 257 CB THR A 17 -2.590 5.636 -5.680 1.00 0.00 C ATOM 258 OG1 THR A 17 -3.383 4.550 -5.225 1.00 0.00 O ATOM 259 CG2 THR A 17 -3.471 6.892 -5.823 1.00 0.00 C ATOM 0 H THR A 17 -0.450 6.681 -6.617 1.00 0.00 H new ATOM 0 HA THR A 17 -1.904 4.174 -7.135 1.00 0.00 H new ATOM 0 HB THR A 17 -1.799 5.852 -4.962 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.834 3.952 -4.676 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.913 7.138 -4.858 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.861 7.727 -6.166 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.263 6.700 -6.547 1.00 0.00 H new ATOM 267 N ARG A 18 -2.254 6.792 -8.884 1.00 0.00 N ATOM 268 CA ARG A 18 -2.965 7.413 -9.994 1.00 0.00 C ATOM 269 C ARG A 18 -3.112 6.405 -11.123 1.00 0.00 C ATOM 270 O ARG A 18 -4.134 6.345 -11.807 1.00 0.00 O ATOM 271 CB ARG A 18 -2.177 8.628 -10.463 1.00 0.00 C ATOM 272 CG ARG A 18 -2.255 9.712 -9.388 1.00 0.00 C ATOM 273 CD ARG A 18 -1.385 10.897 -9.794 1.00 0.00 C ATOM 274 NE ARG A 18 -1.912 11.506 -11.009 1.00 0.00 N ATOM 275 CZ ARG A 18 -2.867 12.426 -10.956 1.00 0.00 C ATOM 276 NH1 ARG A 18 -2.552 13.680 -10.788 1.00 0.00 N ATOM 277 NH2 ARG A 18 -4.119 12.073 -11.063 1.00 0.00 N ATOM 0 H ARG A 18 -1.327 7.177 -8.706 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.959 7.731 -9.678 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.138 8.355 -10.649 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.582 9.000 -11.404 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.288 10.034 -9.256 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.921 9.313 -8.430 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.359 11.632 -8.990 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.359 10.567 -9.958 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.541 11.220 -11.915 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.573 13.952 -10.698 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.284 14.389 -10.747 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.363 11.090 -11.187 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.853 12.780 -11.022 1.00 0.00 H new ATOM 291 N ASN A 19 -2.059 5.618 -11.290 1.00 0.00 N ATOM 292 CA ASN A 19 -2.018 4.591 -12.322 1.00 0.00 C ATOM 293 C ASN A 19 -3.190 3.639 -12.155 1.00 0.00 C ATOM 294 O ASN A 19 -3.727 3.111 -13.130 1.00 0.00 O ATOM 295 CB ASN A 19 -0.709 3.803 -12.225 1.00 0.00 C ATOM 296 CG ASN A 19 0.462 4.663 -12.684 1.00 0.00 C ATOM 297 OD1 ASN A 19 0.903 4.552 -13.826 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.990 5.525 -11.858 1.00 0.00 N ATOM 0 H ASN A 19 -1.215 5.672 -10.719 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.079 5.074 -13.297 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.548 3.477 -11.197 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.771 2.904 -12.839 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.770 6.108 -12.160 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.622 5.615 -10.911 1.00 0.00 H new ATOM 305 N TYR A 20 -3.572 3.419 -10.904 1.00 0.00 N ATOM 306 CA TYR A 20 -4.675 2.524 -10.580 1.00 0.00 C ATOM 307 C TYR A 20 -5.902 3.313 -10.137 1.00 0.00 C ATOM 308 O TYR A 20 -5.956 3.795 -9.018 1.00 0.00 O ATOM 309 CB TYR A 20 -4.233 1.592 -9.456 1.00 0.00 C ATOM 310 CG TYR A 20 -2.988 0.854 -9.888 1.00 0.00 C ATOM 311 CD1 TYR A 20 -3.067 -0.118 -10.891 1.00 0.00 C ATOM 312 CD2 TYR A 20 -1.759 1.140 -9.284 1.00 0.00 C ATOM 313 CE1 TYR A 20 -1.919 -0.808 -11.293 1.00 0.00 C ATOM 314 CE2 TYR A 20 -0.605 0.450 -9.686 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.686 -0.524 -10.692 1.00 0.00 C ATOM 316 OH TYR A 20 0.449 -1.204 -11.086 1.00 0.00 O ATOM 0 H TYR A 20 -3.131 3.851 -10.092 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.942 1.950 -11.467 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.036 2.164 -8.549 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.027 0.884 -9.220 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.017 -0.336 -11.356 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.698 1.890 -8.510 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.983 -1.559 -12.066 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.345 0.669 -9.221 1.00 0.00 H new ATOM 0 HH TYR A 20 1.243 -0.736 -10.753 1.00 0.00 H new ATOM 326 N GLU A 21 -6.872 3.460 -11.032 1.00 0.00 N ATOM 327 CA GLU A 21 -8.089 4.204 -10.724 1.00 0.00 C ATOM 328 C GLU A 21 -8.905 3.486 -9.661 1.00 0.00 C ATOM 329 O GLU A 21 -8.447 2.506 -9.075 1.00 0.00 O ATOM 330 CB GLU A 21 -8.941 4.348 -11.980 1.00 0.00 C ATOM 331 CG GLU A 21 -8.225 5.249 -12.984 1.00 0.00 C ATOM 332 CD GLU A 21 -9.037 5.333 -14.270 1.00 0.00 C ATOM 333 OE1 GLU A 21 -10.120 4.772 -14.301 1.00 0.00 O ATOM 334 OE2 GLU A 21 -8.564 5.957 -15.206 1.00 0.00 O ATOM 0 H GLU A 21 -6.840 3.075 -11.976 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.799 5.187 -10.352 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.125 3.368 -12.421 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.913 4.770 -11.726 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.091 6.245 -12.562 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.231 4.856 -13.196 1.00 0.00 H new ATOM 341 N HIS A 22 -10.114 3.992 -9.409 1.00 0.00 N ATOM 342 CA HIS A 22 -10.985 3.399 -8.401 1.00 0.00 C ATOM 343 C HIS A 22 -10.281 3.455 -7.046 1.00 0.00 C ATOM 344 O HIS A 22 -10.797 3.003 -6.027 1.00 0.00 O ATOM 345 CB HIS A 22 -11.318 1.947 -8.804 1.00 0.00 C ATOM 346 CG HIS A 22 -12.364 1.355 -7.890 1.00 0.00 C ATOM 347 ND1 HIS A 22 -12.162 1.223 -6.531 1.00 0.00 N ATOM 348 CD2 HIS A 22 -13.607 0.820 -8.135 1.00 0.00 C ATOM 349 CE1 HIS A 22 -13.246 0.632 -6.010 1.00 0.00 C ATOM 350 NE2 HIS A 22 -14.163 0.363 -6.943 1.00 0.00 N ATOM 0 H HIS A 22 -10.507 4.804 -9.886 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.921 3.952 -8.328 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.676 1.925 -9.833 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.413 1.340 -8.768 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -11.335 1.522 -6.015 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.080 0.763 -9.104 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.364 0.401 -4.962 1.00 0.00 H new ATOM 358 N VAL A 23 -9.083 4.035 -7.047 1.00 0.00 N ATOM 359 CA VAL A 23 -8.281 4.169 -5.835 1.00 0.00 C ATOM 360 C VAL A 23 -7.929 5.637 -5.605 1.00 0.00 C ATOM 361 O VAL A 23 -7.413 6.310 -6.497 1.00 0.00 O ATOM 362 CB VAL A 23 -6.999 3.350 -6.002 1.00 0.00 C ATOM 363 CG1 VAL A 23 -6.060 3.567 -4.821 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.352 1.868 -6.125 1.00 0.00 C ATOM 0 H VAL A 23 -8.644 4.423 -7.882 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.845 3.805 -4.976 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.489 3.679 -6.907 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.156 2.975 -4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.796 4.623 -4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.556 3.259 -3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.439 1.285 -6.244 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.876 1.543 -5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.994 1.718 -6.993 1.00 0.00 H new ATOM 374 N ASP A 24 -8.203 6.119 -4.398 1.00 0.00 N ATOM 375 CA ASP A 24 -7.911 7.510 -4.033 1.00 0.00 C ATOM 376 C ASP A 24 -7.391 7.560 -2.603 1.00 0.00 C ATOM 377 O ASP A 24 -8.145 7.360 -1.653 1.00 0.00 O ATOM 378 CB ASP A 24 -9.172 8.366 -4.153 1.00 0.00 C ATOM 379 CG ASP A 24 -10.270 7.807 -3.256 1.00 0.00 C ATOM 380 OD1 ASP A 24 -10.110 6.697 -2.778 1.00 0.00 O ATOM 381 OD2 ASP A 24 -11.255 8.499 -3.058 1.00 0.00 O ATOM 0 H ASP A 24 -8.628 5.570 -3.651 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.154 7.904 -4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.950 9.396 -3.872 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.512 8.384 -5.189 1.00 0.00 H new ATOM 386 N ILE A 25 -6.089 7.791 -2.457 1.00 0.00 N ATOM 387 CA ILE A 25 -5.470 7.818 -1.133 1.00 0.00 C ATOM 388 C ILE A 25 -5.560 9.198 -0.472 1.00 0.00 C ATOM 389 O ILE A 25 -4.618 9.990 -0.510 1.00 0.00 O ATOM 390 CB ILE A 25 -4.016 7.352 -1.257 1.00 0.00 C ATOM 391 CG1 ILE A 25 -4.019 5.978 -1.944 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.386 7.225 0.134 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.593 5.438 -2.075 1.00 0.00 C ATOM 0 H ILE A 25 -5.446 7.961 -3.231 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.019 7.139 -0.480 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.438 8.072 -1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.627 5.279 -1.369 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.475 6.060 -2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.352 6.893 0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.411 8.193 0.634 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.946 6.498 0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.616 4.464 -2.564 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.996 6.129 -2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.150 5.336 -1.084 1.00 0.00 H new ATOM 405 N GLN A 26 -6.709 9.444 0.163 1.00 0.00 N ATOM 406 CA GLN A 26 -6.958 10.695 0.884 1.00 0.00 C ATOM 407 C GLN A 26 -6.642 10.487 2.360 1.00 0.00 C ATOM 408 O GLN A 26 -6.385 11.432 3.102 1.00 0.00 O ATOM 409 CB GLN A 26 -8.421 11.114 0.733 1.00 0.00 C ATOM 410 CG GLN A 26 -8.691 11.510 -0.718 1.00 0.00 C ATOM 411 CD GLN A 26 -10.161 11.873 -0.892 1.00 0.00 C ATOM 412 OE1 GLN A 26 -10.915 11.891 0.081 1.00 0.00 O ATOM 413 NE2 GLN A 26 -10.617 12.168 -2.077 1.00 0.00 N ATOM 0 H GLN A 26 -7.488 8.786 0.192 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.324 11.479 0.470 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.077 10.294 1.025 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.641 11.950 1.396 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.063 12.357 -0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.429 10.687 -1.383 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.991 12.153 -2.883 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.599 12.414 -2.199 1.00 0.00 H new ATOM 422 N ASN A 27 -6.646 9.223 2.757 1.00 0.00 N ATOM 423 CA ASN A 27 -6.343 8.837 4.126 1.00 0.00 C ATOM 424 C ASN A 27 -5.663 7.482 4.096 1.00 0.00 C ATOM 425 O ASN A 27 -5.469 6.908 3.027 1.00 0.00 O ATOM 426 CB ASN A 27 -7.618 8.762 4.970 1.00 0.00 C ATOM 427 CG ASN A 27 -8.227 10.152 5.134 1.00 0.00 C ATOM 428 OD1 ASN A 27 -7.444 11.187 5.275 1.00 0.00 O flip ATOM 429 ND2 ASN A 27 -9.449 10.297 5.140 1.00 0.00 N flip ATOM 0 H ASN A 27 -6.859 8.439 2.141 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.690 9.583 4.578 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.338 8.096 4.495 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.390 8.340 5.949 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.059 9.487 5.030 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.852 11.227 5.255 1.00 0.00 H new ATOM 436 N PHE A 28 -5.292 6.975 5.261 1.00 0.00 N ATOM 437 CA PHE A 28 -4.622 5.679 5.335 1.00 0.00 C ATOM 438 C PHE A 28 -5.583 4.612 5.839 1.00 0.00 C ATOM 439 O PHE A 28 -5.268 3.424 5.835 1.00 0.00 O ATOM 440 CB PHE A 28 -3.424 5.789 6.275 1.00 0.00 C ATOM 441 CG PHE A 28 -2.320 6.560 5.589 1.00 0.00 C ATOM 442 CD1 PHE A 28 -2.266 7.954 5.691 1.00 0.00 C ATOM 443 CD2 PHE A 28 -1.354 5.876 4.843 1.00 0.00 C ATOM 444 CE1 PHE A 28 -1.243 8.665 5.048 1.00 0.00 C ATOM 445 CE2 PHE A 28 -0.333 6.585 4.201 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.277 7.979 4.303 1.00 0.00 C ATOM 0 H PHE A 28 -5.440 7.432 6.161 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.283 5.392 4.340 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.716 6.292 7.197 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.072 4.795 6.552 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.012 8.483 6.265 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.397 4.800 4.763 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.200 9.741 5.127 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.413 6.056 3.626 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.511 8.526 3.807 1.00 0.00 H new ATOM 456 N SER A 29 -6.745 5.056 6.305 1.00 0.00 N ATOM 457 CA SER A 29 -7.756 4.153 6.864 1.00 0.00 C ATOM 458 C SER A 29 -8.938 3.928 5.923 1.00 0.00 C ATOM 459 O SER A 29 -9.097 2.851 5.350 1.00 0.00 O ATOM 460 CB SER A 29 -8.276 4.756 8.168 1.00 0.00 C ATOM 461 OG SER A 29 -9.163 3.838 8.787 1.00 0.00 O ATOM 0 H SER A 29 -7.015 6.040 6.308 1.00 0.00 H new ATOM 0 HA SER A 29 -7.280 3.186 7.025 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.444 4.982 8.835 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.789 5.697 7.968 1.00 0.00 H new ATOM 0 HG SER A 29 -8.648 3.180 9.299 1.00 0.00 H new ATOM 467 N SER A 30 -9.773 4.947 5.793 1.00 0.00 N ATOM 468 CA SER A 30 -10.964 4.860 4.954 1.00 0.00 C ATOM 469 C SER A 30 -10.629 4.586 3.498 1.00 0.00 C ATOM 470 O SER A 30 -11.284 3.773 2.845 1.00 0.00 O ATOM 471 CB SER A 30 -11.756 6.164 5.043 1.00 0.00 C ATOM 472 OG SER A 30 -12.695 6.213 3.978 1.00 0.00 O ATOM 0 H SER A 30 -9.650 5.847 6.258 1.00 0.00 H new ATOM 0 HA SER A 30 -11.556 4.024 5.326 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.271 6.226 6.001 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.081 7.018 4.988 1.00 0.00 H new ATOM 0 HG SER A 30 -13.207 7.047 4.031 1.00 0.00 H new ATOM 478 N SER A 31 -9.634 5.280 2.981 1.00 0.00 N ATOM 479 CA SER A 31 -9.258 5.111 1.588 1.00 0.00 C ATOM 480 C SER A 31 -8.625 3.744 1.353 1.00 0.00 C ATOM 481 O SER A 31 -8.233 3.418 0.233 1.00 0.00 O ATOM 482 CB SER A 31 -8.291 6.215 1.181 1.00 0.00 C ATOM 483 OG SER A 31 -8.992 7.451 1.123 1.00 0.00 O ATOM 0 H SER A 31 -9.075 5.960 3.497 1.00 0.00 H new ATOM 0 HA SER A 31 -10.158 5.174 0.977 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.472 6.281 1.898 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.848 5.988 0.211 1.00 0.00 H new ATOM 0 HG SER A 31 -8.824 7.961 1.943 1.00 0.00 H new ATOM 489 N TRP A 32 -8.521 2.951 2.417 1.00 0.00 N ATOM 490 CA TRP A 32 -7.923 1.620 2.330 1.00 0.00 C ATOM 491 C TRP A 32 -8.961 0.520 2.553 1.00 0.00 C ATOM 492 O TRP A 32 -8.644 -0.666 2.462 1.00 0.00 O ATOM 493 CB TRP A 32 -6.844 1.517 3.395 1.00 0.00 C ATOM 494 CG TRP A 32 -5.689 2.360 3.006 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.733 3.701 2.859 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.329 1.953 2.722 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.481 4.142 2.482 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.576 3.101 2.396 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.680 0.708 2.712 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.225 3.017 2.077 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.319 0.623 2.387 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.593 1.774 2.073 1.00 0.00 C ATOM 0 H TRP A 32 -8.843 3.207 3.350 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.507 1.484 1.332 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.237 1.841 4.359 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.529 0.480 3.511 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.602 4.324 3.011 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.251 5.117 2.290 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.232 -0.188 2.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.668 3.910 1.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.829 -0.339 2.379 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.544 1.701 1.827 1.00 0.00 H new ATOM 513 N SER A 33 -10.191 0.912 2.862 1.00 0.00 N ATOM 514 CA SER A 33 -11.245 -0.060 3.113 1.00 0.00 C ATOM 515 C SER A 33 -11.569 -0.867 1.860 1.00 0.00 C ATOM 516 O SER A 33 -12.433 -1.742 1.888 1.00 0.00 O ATOM 517 CB SER A 33 -12.510 0.658 3.584 1.00 0.00 C ATOM 518 OG SER A 33 -13.268 1.060 2.452 1.00 0.00 O ATOM 0 H SER A 33 -10.480 1.887 2.944 1.00 0.00 H new ATOM 0 HA SER A 33 -10.890 -0.744 3.884 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.103 -0.002 4.218 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.246 1.527 4.187 1.00 0.00 H new ATOM 0 HG SER A 33 -14.081 1.520 2.749 1.00 0.00 H new ATOM 524 N SER A 34 -10.879 -0.574 0.757 1.00 0.00 N ATOM 525 CA SER A 34 -11.119 -1.289 -0.497 1.00 0.00 C ATOM 526 C SER A 34 -10.142 -2.446 -0.681 1.00 0.00 C ATOM 527 O SER A 34 -10.427 -3.396 -1.408 1.00 0.00 O ATOM 528 CB SER A 34 -10.972 -0.322 -1.671 1.00 0.00 C ATOM 529 OG SER A 34 -11.596 0.911 -1.347 1.00 0.00 O ATOM 0 H SER A 34 -10.157 0.145 0.706 1.00 0.00 H new ATOM 0 HA SER A 34 -12.129 -1.696 -0.461 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.917 -0.161 -1.894 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.426 -0.748 -2.566 1.00 0.00 H new ATOM 0 HG SER A 34 -11.501 1.533 -2.098 1.00 0.00 H new ATOM 535 N GLY A 35 -8.976 -2.348 -0.052 1.00 0.00 N ATOM 536 CA GLY A 35 -7.961 -3.383 -0.202 1.00 0.00 C ATOM 537 C GLY A 35 -7.241 -3.176 -1.523 1.00 0.00 C ATOM 538 O GLY A 35 -6.164 -3.719 -1.763 1.00 0.00 O ATOM 0 H GLY A 35 -8.713 -1.574 0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.252 -3.339 0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.422 -4.370 -0.174 1.00 0.00 H new ATOM 542 N MET A 36 -7.855 -2.354 -2.365 1.00 0.00 N ATOM 543 CA MET A 36 -7.303 -2.026 -3.666 1.00 0.00 C ATOM 544 C MET A 36 -5.984 -1.273 -3.510 1.00 0.00 C ATOM 545 O MET A 36 -5.079 -1.407 -4.332 1.00 0.00 O ATOM 546 CB MET A 36 -8.311 -1.165 -4.438 1.00 0.00 C ATOM 547 CG MET A 36 -9.537 -2.001 -4.801 1.00 0.00 C ATOM 548 SD MET A 36 -10.762 -0.944 -5.610 1.00 0.00 S ATOM 549 CE MET A 36 -11.627 -2.251 -6.509 1.00 0.00 C ATOM 0 H MET A 36 -8.746 -1.900 -2.163 1.00 0.00 H new ATOM 0 HA MET A 36 -7.110 -2.947 -4.217 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.610 -0.309 -3.833 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.848 -0.770 -5.342 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.251 -2.818 -5.463 1.00 0.00 H new ATOM 0 HG3 MET A 36 -9.963 -2.451 -3.904 1.00 0.00 H new ATOM 0 HE1 MET A 36 -12.371 -1.807 -7.170 1.00 0.00 H new ATOM 0 HE2 MET A 36 -10.911 -2.822 -7.100 1.00 0.00 H new ATOM 0 HE3 MET A 36 -12.122 -2.914 -5.800 1.00 0.00 H new ATOM 559 N ALA A 37 -5.889 -0.470 -2.455 1.00 0.00 N ATOM 560 CA ALA A 37 -4.679 0.310 -2.212 1.00 0.00 C ATOM 561 C ALA A 37 -3.453 -0.592 -2.042 1.00 0.00 C ATOM 562 O ALA A 37 -2.442 -0.400 -2.719 1.00 0.00 O ATOM 563 CB ALA A 37 -4.861 1.177 -0.964 1.00 0.00 C ATOM 0 H ALA A 37 -6.626 -0.342 -1.761 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.511 0.946 -3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.955 1.756 -0.788 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.702 1.855 -1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.056 0.538 -0.103 1.00 0.00 H new ATOM 569 N PHE A 38 -3.529 -1.563 -1.130 1.00 0.00 N ATOM 570 CA PHE A 38 -2.394 -2.458 -0.894 1.00 0.00 C ATOM 571 C PHE A 38 -2.000 -3.199 -2.174 1.00 0.00 C ATOM 572 O PHE A 38 -0.817 -3.280 -2.509 1.00 0.00 O ATOM 573 CB PHE A 38 -2.735 -3.478 0.226 1.00 0.00 C ATOM 574 CG PHE A 38 -2.144 -3.026 1.548 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.756 -2.884 1.664 1.00 0.00 C ATOM 576 CD2 PHE A 38 -2.969 -2.754 2.649 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.192 -2.472 2.873 1.00 0.00 C ATOM 578 CE2 PHE A 38 -2.398 -2.342 3.865 1.00 0.00 C ATOM 579 CZ PHE A 38 -1.012 -2.202 3.971 1.00 0.00 C ATOM 0 H PHE A 38 -4.349 -1.748 -0.552 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.547 -1.849 -0.577 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.816 -3.578 0.319 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.345 -4.461 -0.037 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.120 -3.094 0.817 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.040 -2.861 2.562 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.879 -2.362 2.959 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.029 -2.134 4.716 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.573 -1.884 4.905 1.00 0.00 H new ATOM 589 N CYS A 39 -2.981 -3.743 -2.876 1.00 0.00 N ATOM 590 CA CYS A 39 -2.699 -4.472 -4.107 1.00 0.00 C ATOM 591 C CYS A 39 -2.183 -3.529 -5.194 1.00 0.00 C ATOM 592 O CYS A 39 -1.214 -3.836 -5.890 1.00 0.00 O ATOM 593 CB CYS A 39 -3.974 -5.179 -4.594 1.00 0.00 C ATOM 594 SG CYS A 39 -4.043 -6.853 -3.912 1.00 0.00 S ATOM 0 H CYS A 39 -3.968 -3.696 -2.621 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.926 -5.212 -3.900 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.854 -4.614 -4.287 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.985 -5.219 -5.683 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.614 -6.823 -2.744 1.00 0.00 H new ATOM 600 N ALA A 40 -2.862 -2.399 -5.346 1.00 0.00 N ATOM 601 CA ALA A 40 -2.511 -1.418 -6.367 1.00 0.00 C ATOM 602 C ALA A 40 -1.103 -0.865 -6.167 1.00 0.00 C ATOM 603 O ALA A 40 -0.360 -0.677 -7.129 1.00 0.00 O ATOM 604 CB ALA A 40 -3.517 -0.271 -6.318 1.00 0.00 C ATOM 0 H ALA A 40 -3.664 -2.138 -4.772 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.537 -1.914 -7.337 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.263 0.468 -7.078 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.519 -0.657 -6.507 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.489 0.196 -5.334 1.00 0.00 H new ATOM 610 N LEU A 41 -0.748 -0.589 -4.918 1.00 0.00 N ATOM 611 CA LEU A 41 0.566 -0.038 -4.604 1.00 0.00 C ATOM 612 C LEU A 41 1.670 -1.033 -4.983 1.00 0.00 C ATOM 613 O LEU A 41 2.682 -0.658 -5.570 1.00 0.00 O ATOM 614 CB LEU A 41 0.613 0.289 -3.107 1.00 0.00 C ATOM 615 CG LEU A 41 1.958 0.909 -2.712 1.00 0.00 C ATOM 616 CD1 LEU A 41 2.129 2.282 -3.380 1.00 0.00 C ATOM 617 CD2 LEU A 41 1.990 1.072 -1.188 1.00 0.00 C ATOM 0 H LEU A 41 -1.349 -0.737 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 41 0.734 0.872 -5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.194 0.978 -2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.446 -0.620 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 41 2.770 0.260 -3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.089 2.710 -3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.095 2.166 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.325 2.945 -3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.941 1.512 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.174 1.723 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.877 0.096 -0.715 1.00 0.00 H new ATOM 629 N ILE A 42 1.455 -2.301 -4.654 1.00 0.00 N ATOM 630 CA ILE A 42 2.417 -3.358 -4.972 1.00 0.00 C ATOM 631 C ILE A 42 2.537 -3.573 -6.485 1.00 0.00 C ATOM 632 O ILE A 42 3.639 -3.733 -7.011 1.00 0.00 O ATOM 633 CB ILE A 42 1.971 -4.664 -4.269 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.415 -4.641 -2.792 1.00 0.00 C ATOM 635 CG2 ILE A 42 2.538 -5.910 -4.979 1.00 0.00 C ATOM 636 CD1 ILE A 42 3.903 -5.044 -2.660 1.00 0.00 C ATOM 0 H ILE A 42 0.621 -2.627 -4.165 1.00 0.00 H new ATOM 0 HA ILE A 42 3.402 -3.061 -4.613 1.00 0.00 H new ATOM 0 HB ILE A 42 0.884 -4.722 -4.319 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.265 -3.644 -2.378 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.796 -5.324 -2.211 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.205 -6.808 -4.459 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.183 -5.935 -6.009 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.627 -5.869 -4.971 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.194 -5.021 -1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.044 -6.051 -3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.521 -4.345 -3.223 1.00 0.00 H new ATOM 648 N HIS A 43 1.400 -3.606 -7.165 1.00 0.00 N ATOM 649 CA HIS A 43 1.379 -3.834 -8.608 1.00 0.00 C ATOM 650 C HIS A 43 2.304 -2.859 -9.334 1.00 0.00 C ATOM 651 O HIS A 43 2.572 -3.009 -10.525 1.00 0.00 O ATOM 652 CB HIS A 43 -0.053 -3.653 -9.119 1.00 0.00 C ATOM 653 CG HIS A 43 -0.182 -4.218 -10.506 1.00 0.00 C ATOM 654 ND1 HIS A 43 0.293 -3.551 -11.623 1.00 0.00 N ATOM 655 CD2 HIS A 43 -0.748 -5.377 -10.975 1.00 0.00 C ATOM 656 CE1 HIS A 43 0.006 -4.306 -12.698 1.00 0.00 C ATOM 657 NE2 HIS A 43 -0.628 -5.431 -12.359 1.00 0.00 N ATOM 0 H HIS A 43 0.480 -3.478 -6.744 1.00 0.00 H new ATOM 0 HA HIS A 43 1.729 -4.847 -8.806 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.752 -4.152 -8.448 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.315 -2.595 -9.123 1.00 0.00 H new ATOM 0 HD1 HIS A 43 0.773 -2.651 -11.629 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -1.216 -6.133 -10.362 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.258 -4.035 -13.713 1.00 0.00 H new ATOM 665 N LYS A 44 2.782 -1.861 -8.600 1.00 0.00 N ATOM 666 CA LYS A 44 3.675 -0.850 -9.171 1.00 0.00 C ATOM 667 C LYS A 44 5.126 -1.318 -9.173 1.00 0.00 C ATOM 668 O LYS A 44 5.896 -0.979 -10.072 1.00 0.00 O ATOM 669 CB LYS A 44 3.564 0.447 -8.358 1.00 0.00 C ATOM 670 CG LYS A 44 4.471 1.541 -8.940 1.00 0.00 C ATOM 671 CD LYS A 44 4.073 1.842 -10.392 1.00 0.00 C ATOM 672 CE LYS A 44 4.602 3.223 -10.794 1.00 0.00 C ATOM 673 NZ LYS A 44 5.900 3.470 -10.104 1.00 0.00 N ATOM 0 H LYS A 44 2.569 -1.727 -7.611 1.00 0.00 H new ATOM 0 HA LYS A 44 3.372 -0.679 -10.204 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.530 0.791 -8.355 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.839 0.255 -7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.393 2.447 -8.339 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.512 1.220 -8.899 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.478 1.079 -11.056 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.988 1.812 -10.496 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.735 3.274 -11.875 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.881 3.995 -10.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.378 4.283 -10.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.726 3.673 -9.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.504 2.627 -10.188 1.00 0.00 H new ATOM 687 N PHE A 45 5.500 -2.063 -8.143 1.00 0.00 N ATOM 688 CA PHE A 45 6.873 -2.543 -8.004 1.00 0.00 C ATOM 689 C PHE A 45 7.076 -3.903 -8.675 1.00 0.00 C ATOM 690 O PHE A 45 8.172 -4.217 -9.136 1.00 0.00 O ATOM 691 CB PHE A 45 7.214 -2.652 -6.510 1.00 0.00 C ATOM 692 CG PHE A 45 6.520 -1.544 -5.740 1.00 0.00 C ATOM 693 CD1 PHE A 45 6.576 -0.218 -6.196 1.00 0.00 C ATOM 694 CD2 PHE A 45 5.822 -1.847 -4.564 1.00 0.00 C ATOM 695 CE1 PHE A 45 5.934 0.799 -5.473 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.186 -0.834 -3.845 1.00 0.00 C ATOM 697 CZ PHE A 45 5.240 0.490 -4.296 1.00 0.00 C ATOM 0 H PHE A 45 4.875 -2.350 -7.390 1.00 0.00 H new ATOM 0 HA PHE A 45 7.533 -1.831 -8.499 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.902 -3.624 -6.127 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.293 -2.585 -6.368 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.113 0.020 -7.103 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.776 -2.867 -4.213 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.975 1.820 -5.824 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.651 -1.072 -2.938 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.747 1.272 -3.737 1.00 0.00 H new ATOM 707 N PHE A 46 6.028 -4.721 -8.689 1.00 0.00 N ATOM 708 CA PHE A 46 6.115 -6.066 -9.263 1.00 0.00 C ATOM 709 C PHE A 46 4.951 -6.344 -10.227 1.00 0.00 C ATOM 710 O PHE A 46 3.874 -6.737 -9.784 1.00 0.00 O ATOM 711 CB PHE A 46 6.082 -7.058 -8.101 1.00 0.00 C ATOM 712 CG PHE A 46 7.131 -6.646 -7.095 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.483 -6.699 -7.443 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.757 -6.196 -5.822 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.458 -6.306 -6.521 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.729 -5.804 -4.900 1.00 0.00 C ATOM 717 CZ PHE A 46 9.078 -5.858 -5.246 1.00 0.00 C ATOM 0 H PHE A 46 5.111 -4.481 -8.312 1.00 0.00 H new ATOM 0 HA PHE A 46 7.035 -6.163 -9.839 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.095 -7.068 -7.638 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.276 -8.069 -8.459 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.775 -7.043 -8.424 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.712 -6.152 -5.553 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.503 -6.347 -6.790 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.436 -5.459 -3.919 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.831 -5.555 -4.533 1.00 0.00 H new ATOM 727 N PRO A 47 5.127 -6.158 -11.526 1.00 0.00 N ATOM 728 CA PRO A 47 4.038 -6.416 -12.518 1.00 0.00 C ATOM 729 C PRO A 47 3.850 -7.912 -12.771 1.00 0.00 C ATOM 730 O PRO A 47 2.724 -8.406 -12.853 1.00 0.00 O ATOM 731 CB PRO A 47 4.499 -5.698 -13.810 1.00 0.00 C ATOM 732 CG PRO A 47 5.835 -5.071 -13.499 1.00 0.00 C ATOM 733 CD PRO A 47 6.350 -5.694 -12.198 1.00 0.00 C ATOM 0 HA PRO A 47 3.076 -6.051 -12.159 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.585 -6.404 -14.636 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.776 -4.940 -14.112 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.539 -5.247 -14.312 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.735 -3.991 -13.393 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.037 -6.518 -12.393 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.889 -4.966 -11.591 1.00 0.00 H new ATOM 741 N GLU A 48 4.965 -8.623 -12.887 1.00 0.00 N ATOM 742 CA GLU A 48 4.919 -10.058 -13.122 1.00 0.00 C ATOM 743 C GLU A 48 4.130 -10.712 -12.000 1.00 0.00 C ATOM 744 O GLU A 48 3.670 -11.850 -12.111 1.00 0.00 O ATOM 745 CB GLU A 48 6.346 -10.628 -13.169 1.00 0.00 C ATOM 746 CG GLU A 48 6.296 -12.131 -13.453 1.00 0.00 C ATOM 747 CD GLU A 48 7.707 -12.688 -13.607 1.00 0.00 C ATOM 748 OE1 GLU A 48 8.644 -11.978 -13.280 1.00 0.00 O ATOM 749 OE2 GLU A 48 7.831 -13.820 -14.047 1.00 0.00 O ATOM 0 H GLU A 48 5.905 -8.232 -12.823 1.00 0.00 H new ATOM 0 HA GLU A 48 4.435 -10.261 -14.077 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.924 -10.122 -13.942 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.852 -10.445 -12.221 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.782 -12.645 -12.641 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.723 -12.317 -14.361 1.00 0.00 H new ATOM 756 N ALA A 49 3.984 -9.962 -10.914 1.00 0.00 N ATOM 757 CA ALA A 49 3.261 -10.432 -9.733 1.00 0.00 C ATOM 758 C ALA A 49 1.845 -10.865 -10.070 1.00 0.00 C ATOM 759 O ALA A 49 1.467 -12.021 -9.875 1.00 0.00 O ATOM 760 CB ALA A 49 3.172 -9.303 -8.715 1.00 0.00 C ATOM 0 H ALA A 49 4.359 -9.018 -10.825 1.00 0.00 H new ATOM 0 HA ALA A 49 3.807 -11.288 -9.336 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.633 -9.650 -7.833 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.176 -8.992 -8.428 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.642 -8.458 -9.154 1.00 0.00 H new ATOM 766 N PHE A 50 1.077 -9.926 -10.589 1.00 0.00 N ATOM 767 CA PHE A 50 -0.292 -10.185 -10.971 1.00 0.00 C ATOM 768 C PHE A 50 -0.853 -8.974 -11.699 1.00 0.00 C ATOM 769 O PHE A 50 -0.283 -7.883 -11.637 1.00 0.00 O ATOM 770 CB PHE A 50 -1.146 -10.488 -9.738 1.00 0.00 C ATOM 771 CG PHE A 50 -0.978 -9.390 -8.711 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.707 -8.200 -8.830 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.099 -9.566 -7.635 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.555 -7.186 -7.876 1.00 0.00 C ATOM 775 CE2 PHE A 50 0.053 -8.552 -6.680 1.00 0.00 C ATOM 776 CZ PHE A 50 -0.674 -7.362 -6.801 1.00 0.00 C ATOM 0 H PHE A 50 1.385 -8.968 -10.756 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.315 -11.053 -11.631 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.195 -10.573 -10.023 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.853 -11.446 -9.309 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.387 -8.064 -9.658 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.462 -10.484 -7.541 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.117 -6.268 -7.969 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.731 -8.689 -5.851 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.556 -6.580 -6.066 1.00 0.00 H new ATOM 786 N ASP A 51 -1.983 -9.161 -12.365 1.00 0.00 N ATOM 787 CA ASP A 51 -2.633 -8.067 -13.079 1.00 0.00 C ATOM 788 C ASP A 51 -3.683 -7.428 -12.175 1.00 0.00 C ATOM 789 O ASP A 51 -4.711 -8.032 -11.879 1.00 0.00 O ATOM 790 CB ASP A 51 -3.291 -8.595 -14.355 1.00 0.00 C ATOM 791 CG ASP A 51 -3.779 -7.435 -15.217 1.00 0.00 C ATOM 792 OD1 ASP A 51 -3.711 -6.307 -14.755 1.00 0.00 O ATOM 793 OD2 ASP A 51 -4.218 -7.691 -16.327 1.00 0.00 O ATOM 0 H ASP A 51 -2.469 -10.056 -12.427 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.889 -7.319 -13.353 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.579 -9.200 -14.916 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.128 -9.244 -14.099 1.00 0.00 H new ATOM 798 N TYR A 52 -3.408 -6.212 -11.723 1.00 0.00 N ATOM 799 CA TYR A 52 -4.321 -5.499 -10.837 1.00 0.00 C ATOM 800 C TYR A 52 -5.641 -5.230 -11.526 1.00 0.00 C ATOM 801 O TYR A 52 -6.642 -4.930 -10.876 1.00 0.00 O ATOM 802 CB TYR A 52 -3.701 -4.163 -10.433 1.00 0.00 C ATOM 803 CG TYR A 52 -4.716 -3.321 -9.682 1.00 0.00 C ATOM 804 CD1 TYR A 52 -4.896 -3.493 -8.305 1.00 0.00 C ATOM 805 CD2 TYR A 52 -5.485 -2.377 -10.375 1.00 0.00 C ATOM 806 CE1 TYR A 52 -5.843 -2.721 -7.622 1.00 0.00 C ATOM 807 CE2 TYR A 52 -6.432 -1.604 -9.691 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.610 -1.777 -8.314 1.00 0.00 C ATOM 809 OH TYR A 52 -7.544 -1.016 -7.642 1.00 0.00 O ATOM 0 H TYR A 52 -2.559 -5.697 -11.955 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.497 -6.119 -9.958 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.825 -4.334 -9.807 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.359 -3.629 -11.320 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.305 -4.221 -7.770 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.347 -2.245 -11.438 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.982 -2.854 -6.559 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.024 -0.876 -10.226 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.987 -0.410 -8.272 1.00 0.00 H new ATOM 819 N ALA A 53 -5.641 -5.333 -12.841 1.00 0.00 N ATOM 820 CA ALA A 53 -6.848 -5.092 -13.613 1.00 0.00 C ATOM 821 C ALA A 53 -7.743 -6.324 -13.612 1.00 0.00 C ATOM 822 O ALA A 53 -8.956 -6.216 -13.795 1.00 0.00 O ATOM 823 CB ALA A 53 -6.475 -4.733 -15.048 1.00 0.00 C ATOM 0 H ALA A 53 -4.823 -5.581 -13.397 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.393 -4.266 -13.156 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.382 -4.553 -15.625 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.859 -3.834 -15.050 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.917 -5.556 -15.496 1.00 0.00 H new ATOM 829 N GLU A 54 -7.146 -7.496 -13.398 1.00 0.00 N ATOM 830 CA GLU A 54 -7.892 -8.736 -13.365 1.00 0.00 C ATOM 831 C GLU A 54 -8.660 -8.872 -12.061 1.00 0.00 C ATOM 832 O GLU A 54 -9.593 -9.675 -11.965 1.00 0.00 O ATOM 833 CB GLU A 54 -6.906 -9.902 -13.483 1.00 0.00 C ATOM 834 CG GLU A 54 -6.500 -10.113 -14.946 1.00 0.00 C ATOM 835 CD GLU A 54 -5.460 -11.225 -15.041 1.00 0.00 C ATOM 836 OE1 GLU A 54 -5.182 -11.838 -14.022 1.00 0.00 O ATOM 837 OE2 GLU A 54 -4.957 -11.451 -16.131 1.00 0.00 O ATOM 0 H GLU A 54 -6.143 -7.604 -13.245 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.604 -8.742 -14.191 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.021 -9.701 -12.879 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.360 -10.812 -13.090 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.376 -10.370 -15.542 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.095 -9.188 -15.357 1.00 0.00 H new ATOM 844 N LEU A 55 -8.255 -8.109 -11.055 1.00 0.00 N ATOM 845 CA LEU A 55 -8.904 -8.180 -9.755 1.00 0.00 C ATOM 846 C LEU A 55 -10.327 -7.639 -9.816 1.00 0.00 C ATOM 847 O LEU A 55 -10.804 -7.222 -10.875 1.00 0.00 O ATOM 848 CB LEU A 55 -8.075 -7.377 -8.757 1.00 0.00 C ATOM 849 CG LEU A 55 -6.694 -8.040 -8.592 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.757 -7.109 -7.808 1.00 0.00 C ATOM 851 CD2 LEU A 55 -6.830 -9.387 -7.848 1.00 0.00 C ATOM 0 H LEU A 55 -7.487 -7.440 -11.113 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.966 -9.222 -9.442 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.959 -6.351 -9.106 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.586 -7.331 -7.796 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.275 -8.224 -9.581 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.783 -7.584 -7.695 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.642 -6.169 -8.348 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.181 -6.912 -6.823 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.846 -9.843 -7.739 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.262 -9.216 -6.862 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.478 -10.053 -8.417 1.00 0.00 H new ATOM 863 N ASP A 56 -11.004 -7.661 -8.668 1.00 0.00 N ATOM 864 CA ASP A 56 -12.373 -7.181 -8.589 1.00 0.00 C ATOM 865 C ASP A 56 -12.734 -6.830 -7.132 1.00 0.00 C ATOM 866 O ASP A 56 -12.395 -7.585 -6.220 1.00 0.00 O ATOM 867 CB ASP A 56 -13.319 -8.266 -9.114 1.00 0.00 C ATOM 868 CG ASP A 56 -14.716 -7.707 -9.359 1.00 0.00 C ATOM 869 OD1 ASP A 56 -15.475 -7.624 -8.410 1.00 0.00 O ATOM 870 OD2 ASP A 56 -15.010 -7.380 -10.499 1.00 0.00 O ATOM 0 H ASP A 56 -10.624 -8.006 -7.786 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.474 -6.282 -9.197 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.923 -8.681 -10.041 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.372 -9.084 -8.396 1.00 0.00 H new ATOM 875 N PRO A 57 -13.407 -5.722 -6.886 1.00 0.00 N ATOM 876 CA PRO A 57 -13.786 -5.320 -5.498 1.00 0.00 C ATOM 877 C PRO A 57 -14.508 -6.470 -4.803 1.00 0.00 C ATOM 878 O PRO A 57 -14.749 -6.442 -3.597 1.00 0.00 O ATOM 879 CB PRO A 57 -14.729 -4.103 -5.673 1.00 0.00 C ATOM 880 CG PRO A 57 -14.894 -3.880 -7.155 1.00 0.00 C ATOM 881 CD PRO A 57 -13.856 -4.743 -7.885 1.00 0.00 C ATOM 0 HA PRO A 57 -12.920 -5.072 -4.885 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.694 -4.292 -5.202 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -14.309 -3.218 -5.195 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -15.902 -4.149 -7.470 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.753 -2.827 -7.400 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -14.293 -5.237 -8.753 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.024 -4.139 -8.247 1.00 0.00 H new ATOM 889 N ALA A 58 -14.862 -7.473 -5.596 1.00 0.00 N ATOM 890 CA ALA A 58 -15.564 -8.640 -5.086 1.00 0.00 C ATOM 891 C ALA A 58 -14.571 -9.635 -4.502 1.00 0.00 C ATOM 892 O ALA A 58 -14.956 -10.620 -3.869 1.00 0.00 O ATOM 893 CB ALA A 58 -16.335 -9.303 -6.224 1.00 0.00 C ATOM 0 H ALA A 58 -14.673 -7.500 -6.598 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.255 -8.327 -4.304 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.862 -10.178 -5.845 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.055 -8.596 -6.636 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.639 -9.609 -7.005 1.00 0.00 H new ATOM 899 N LYS A 59 -13.289 -9.375 -4.746 1.00 0.00 N ATOM 900 CA LYS A 59 -12.213 -10.251 -4.274 1.00 0.00 C ATOM 901 C LYS A 59 -11.310 -9.520 -3.277 1.00 0.00 C ATOM 902 O LYS A 59 -10.101 -9.407 -3.490 1.00 0.00 O ATOM 903 CB LYS A 59 -11.381 -10.708 -5.480 1.00 0.00 C ATOM 904 CG LYS A 59 -12.234 -11.600 -6.392 1.00 0.00 C ATOM 905 CD LYS A 59 -11.392 -12.080 -7.582 1.00 0.00 C ATOM 906 CE LYS A 59 -12.239 -12.992 -8.476 1.00 0.00 C ATOM 907 NZ LYS A 59 -11.407 -13.488 -9.608 1.00 0.00 N ATOM 0 H LYS A 59 -12.966 -8.562 -5.270 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.653 -11.111 -3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.023 -9.841 -6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.501 -11.255 -5.140 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.610 -12.456 -5.831 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.103 -11.047 -6.749 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.032 -11.225 -8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.513 -12.617 -7.226 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.623 -13.832 -7.897 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.102 -12.446 -8.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.981 -14.107 -10.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.061 -12.680 -10.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.597 -14.023 -9.235 1.00 0.00 H new ATOM 921 N ARG A 60 -11.901 -9.011 -2.198 1.00 0.00 N ATOM 922 CA ARG A 60 -11.130 -8.278 -1.188 1.00 0.00 C ATOM 923 C ARG A 60 -10.202 -9.198 -0.384 1.00 0.00 C ATOM 924 O ARG A 60 -9.016 -8.921 -0.239 1.00 0.00 O ATOM 925 CB ARG A 60 -12.085 -7.562 -0.233 1.00 0.00 C ATOM 926 CG ARG A 60 -12.776 -6.419 -0.976 1.00 0.00 C ATOM 927 CD ARG A 60 -13.744 -5.704 -0.033 1.00 0.00 C ATOM 928 NE ARG A 60 -14.785 -6.627 0.417 1.00 0.00 N ATOM 929 CZ ARG A 60 -15.933 -6.756 -0.242 1.00 0.00 C ATOM 930 NH1 ARG A 60 -15.930 -7.014 -1.520 1.00 0.00 N ATOM 931 NH2 ARG A 60 -17.063 -6.621 0.395 1.00 0.00 N ATOM 0 H ARG A 60 -12.898 -9.089 -1.999 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.506 -7.556 -1.715 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.826 -8.262 0.152 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.537 -7.175 0.626 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.033 -5.716 -1.353 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.315 -6.807 -1.840 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.201 -5.309 0.826 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.197 -4.853 -0.542 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.627 -7.185 1.256 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.045 -7.118 -2.017 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.812 -7.112 -2.022 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -17.064 -6.417 1.394 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -17.946 -6.719 -0.106 1.00 0.00 H new ATOM 945 N ARG A 61 -10.743 -10.284 0.152 1.00 0.00 N ATOM 946 CA ARG A 61 -9.930 -11.197 0.953 1.00 0.00 C ATOM 947 C ARG A 61 -8.679 -11.599 0.194 1.00 0.00 C ATOM 948 O ARG A 61 -7.572 -11.596 0.735 1.00 0.00 O ATOM 949 CB ARG A 61 -10.725 -12.456 1.275 1.00 0.00 C ATOM 950 CG ARG A 61 -11.890 -12.113 2.200 1.00 0.00 C ATOM 951 CD ARG A 61 -12.664 -13.388 2.536 1.00 0.00 C ATOM 952 NE ARG A 61 -11.825 -14.288 3.318 1.00 0.00 N ATOM 953 CZ ARG A 61 -12.265 -15.481 3.707 1.00 0.00 C ATOM 954 NH1 ARG A 61 -12.571 -16.386 2.818 1.00 0.00 N ATOM 955 NH2 ARG A 61 -12.394 -15.745 4.979 1.00 0.00 N ATOM 0 H ARG A 61 -11.722 -10.553 0.052 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.651 -10.684 1.873 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.100 -12.905 0.355 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.078 -13.194 1.749 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.519 -11.648 3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.549 -11.390 1.720 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.566 -13.139 3.096 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.985 -13.881 1.618 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.881 -13.997 3.572 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.473 -16.178 1.824 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.908 -17.301 3.117 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.157 -15.036 5.673 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.731 -16.660 5.278 1.00 0.00 H new ATOM 969 N HIS A 62 -8.870 -11.943 -1.065 1.00 0.00 N ATOM 970 CA HIS A 62 -7.773 -12.350 -1.920 1.00 0.00 C ATOM 971 C HIS A 62 -6.831 -11.180 -2.185 1.00 0.00 C ATOM 972 O HIS A 62 -5.623 -11.359 -2.288 1.00 0.00 O ATOM 973 CB HIS A 62 -8.338 -12.864 -3.239 1.00 0.00 C ATOM 974 CG HIS A 62 -9.051 -14.172 -3.013 1.00 0.00 C ATOM 975 ND1 HIS A 62 -10.260 -14.473 -3.625 1.00 0.00 N ATOM 976 CD2 HIS A 62 -8.746 -15.264 -2.236 1.00 0.00 C ATOM 977 CE1 HIS A 62 -10.631 -15.697 -3.208 1.00 0.00 C ATOM 978 NE2 HIS A 62 -9.745 -16.224 -2.361 1.00 0.00 N ATOM 0 H HIS A 62 -9.783 -11.948 -1.521 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.208 -13.138 -1.422 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.027 -12.132 -3.660 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.534 -12.998 -3.962 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -7.864 -15.362 -1.621 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -11.537 -16.194 -3.521 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -9.790 -17.135 -1.904 1.00 0.00 H new ATOM 986 N ASN A 63 -7.400 -9.984 -2.290 1.00 0.00 N ATOM 987 CA ASN A 63 -6.607 -8.780 -2.546 1.00 0.00 C ATOM 988 C ASN A 63 -5.631 -8.527 -1.413 1.00 0.00 C ATOM 989 O ASN A 63 -4.463 -8.211 -1.640 1.00 0.00 O ATOM 990 CB ASN A 63 -7.540 -7.575 -2.680 1.00 0.00 C ATOM 991 CG ASN A 63 -6.748 -6.286 -2.867 1.00 0.00 C ATOM 992 OD1 ASN A 63 -5.823 -6.007 -2.101 1.00 0.00 O ATOM 993 ND2 ASN A 63 -7.070 -5.473 -3.839 1.00 0.00 N ATOM 0 H ASN A 63 -8.403 -9.819 -2.203 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.045 -8.926 -3.469 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.208 -7.721 -3.529 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.166 -7.495 -1.791 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.555 -4.602 -3.967 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.836 -5.710 -4.469 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.107 -8.680 -0.194 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.240 -8.469 0.957 1.00 0.00 C ATOM 1002 C PHE A 64 -4.175 -9.562 1.008 1.00 0.00 C ATOM 1003 O PHE A 64 -2.981 -9.272 1.033 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.064 -8.456 2.251 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.788 -7.131 2.394 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.086 -5.988 2.803 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.159 -7.043 2.120 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.753 -4.764 2.935 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.826 -5.818 2.254 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.123 -4.679 2.659 1.00 0.00 C ATOM 0 H PHE A 64 -7.067 -8.944 0.028 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.747 -7.502 0.859 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.785 -9.274 2.241 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.411 -8.617 3.109 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.029 -6.052 3.017 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.703 -7.921 1.805 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.210 -3.885 3.250 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.883 -5.753 2.044 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.637 -3.734 2.759 1.00 0.00 H new ATOM 1020 N THR A 65 -4.613 -10.816 1.009 1.00 0.00 N ATOM 1021 CA THR A 65 -3.672 -11.931 1.046 1.00 0.00 C ATOM 1022 C THR A 65 -2.657 -11.786 -0.080 1.00 0.00 C ATOM 1023 O THR A 65 -1.460 -12.000 0.111 1.00 0.00 O ATOM 1024 CB THR A 65 -4.399 -13.269 0.882 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.503 -13.328 1.772 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.429 -14.413 1.187 1.00 0.00 C ATOM 0 H THR A 65 -5.597 -11.084 0.985 1.00 0.00 H new ATOM 0 HA THR A 65 -3.170 -11.915 2.013 1.00 0.00 H new ATOM 0 HB THR A 65 -4.762 -13.362 -0.142 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.264 -12.850 1.381 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.944 -15.367 1.071 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.586 -14.369 0.497 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.065 -14.319 2.210 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.157 -11.431 -1.254 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.312 -11.265 -2.428 1.00 0.00 C ATOM 1036 C LEU A 66 -1.274 -10.179 -2.205 1.00 0.00 C ATOM 1037 O LEU A 66 -0.101 -10.362 -2.518 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.198 -10.882 -3.609 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.374 -10.677 -4.886 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.628 -11.971 -5.253 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.331 -10.295 -6.016 1.00 0.00 C ATOM 0 H LEU A 66 -4.147 -11.252 -1.420 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.788 -12.200 -2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.941 -11.662 -3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.743 -9.967 -3.375 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.637 -9.889 -4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.047 -11.811 -6.161 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.959 -12.249 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.349 -12.772 -5.419 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.766 -10.144 -6.936 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.057 -11.094 -6.163 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.853 -9.374 -5.755 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.701 -9.043 -1.678 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.775 -7.957 -1.447 1.00 0.00 C ATOM 1055 C ALA A 67 0.305 -8.386 -0.472 1.00 0.00 C ATOM 1056 O ALA A 67 1.473 -8.032 -0.627 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.513 -6.751 -0.879 1.00 0.00 C ATOM 0 H ALA A 67 -2.666 -8.854 -1.408 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.316 -7.687 -2.398 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.806 -5.939 -0.709 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.276 -6.426 -1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.985 -7.025 0.064 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.095 -9.152 0.532 1.00 0.00 N ATOM 1064 CA PHE A 68 0.850 -9.622 1.531 1.00 0.00 C ATOM 1065 C PHE A 68 1.644 -10.819 1.005 1.00 0.00 C ATOM 1066 O PHE A 68 2.868 -10.855 1.123 1.00 0.00 O ATOM 1067 CB PHE A 68 0.106 -9.987 2.822 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.572 -8.753 3.402 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.191 -7.639 3.785 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -1.967 -8.722 3.564 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.433 -6.507 4.319 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.589 -7.585 4.103 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.822 -6.477 4.479 1.00 0.00 C ATOM 0 H PHE A 68 -1.057 -9.458 0.675 1.00 0.00 H new ATOM 0 HA PHE A 68 1.557 -8.822 1.749 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.637 -10.757 2.617 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.804 -10.403 3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.264 -7.656 3.667 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.562 -9.575 3.273 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.160 -5.652 4.609 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.662 -7.565 4.228 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.301 -5.601 4.891 1.00 0.00 H new ATOM 1083 N SER A 69 0.952 -11.796 0.424 1.00 0.00 N ATOM 1084 CA SER A 69 1.632 -12.974 -0.106 1.00 0.00 C ATOM 1085 C SER A 69 2.609 -12.584 -1.206 1.00 0.00 C ATOM 1086 O SER A 69 3.618 -13.256 -1.418 1.00 0.00 O ATOM 1087 CB SER A 69 0.615 -13.979 -0.653 1.00 0.00 C ATOM 1088 OG SER A 69 -0.073 -14.590 0.430 1.00 0.00 O ATOM 0 H SER A 69 -0.062 -11.797 0.309 1.00 0.00 H new ATOM 0 HA SER A 69 2.188 -13.437 0.710 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.093 -13.475 -1.311 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.121 -14.737 -1.251 1.00 0.00 H new ATOM 0 HG SER A 69 -0.607 -15.341 0.096 1.00 0.00 H new ATOM 1094 N THR A 70 2.326 -11.478 -1.889 1.00 0.00 N ATOM 1095 CA THR A 70 3.224 -11.006 -2.935 1.00 0.00 C ATOM 1096 C THR A 70 4.398 -10.253 -2.316 1.00 0.00 C ATOM 1097 O THR A 70 5.550 -10.462 -2.694 1.00 0.00 O ATOM 1098 CB THR A 70 2.490 -10.098 -3.924 1.00 0.00 C ATOM 1099 OG1 THR A 70 1.292 -10.733 -4.355 1.00 0.00 O ATOM 1100 CG2 THR A 70 3.388 -9.839 -5.138 1.00 0.00 C ATOM 0 H THR A 70 1.497 -10.902 -1.740 1.00 0.00 H new ATOM 0 HA THR A 70 3.596 -11.875 -3.478 1.00 0.00 H new ATOM 0 HB THR A 70 2.247 -9.154 -3.437 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.543 -10.428 -3.802 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.867 -9.192 -5.844 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.309 -9.354 -4.813 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.628 -10.786 -5.622 1.00 0.00 H new ATOM 1108 N ALA A 71 4.094 -9.364 -1.375 1.00 0.00 N ATOM 1109 CA ALA A 71 5.132 -8.575 -0.728 1.00 0.00 C ATOM 1110 C ALA A 71 6.115 -9.474 0.009 1.00 0.00 C ATOM 1111 O ALA A 71 7.317 -9.208 0.022 1.00 0.00 O ATOM 1112 CB ALA A 71 4.510 -7.592 0.267 1.00 0.00 C ATOM 0 H ALA A 71 3.147 -9.174 -1.047 1.00 0.00 H new ATOM 0 HA ALA A 71 5.664 -8.024 -1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.298 -7.009 0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.831 -6.922 -0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.958 -8.144 1.027 1.00 0.00 H new ATOM 1118 N GLU A 72 5.608 -10.542 0.621 1.00 0.00 N ATOM 1119 CA GLU A 72 6.473 -11.459 1.346 1.00 0.00 C ATOM 1120 C GLU A 72 7.236 -12.371 0.383 1.00 0.00 C ATOM 1121 O GLU A 72 8.437 -12.571 0.516 1.00 0.00 O ATOM 1122 CB GLU A 72 5.645 -12.310 2.317 1.00 0.00 C ATOM 1123 CG GLU A 72 5.098 -11.422 3.442 1.00 0.00 C ATOM 1124 CD GLU A 72 4.222 -12.245 4.383 1.00 0.00 C ATOM 1125 OE1 GLU A 72 4.751 -13.131 5.033 1.00 0.00 O ATOM 1126 OE2 GLU A 72 3.034 -11.974 4.442 1.00 0.00 O ATOM 0 H GLU A 72 4.618 -10.788 0.628 1.00 0.00 H new ATOM 0 HA GLU A 72 7.196 -10.868 1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.823 -12.789 1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.261 -13.106 2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.923 -10.977 3.998 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.519 -10.601 3.019 1.00 0.00 H new ATOM 1133 N LYS A 73 6.535 -12.946 -0.579 1.00 0.00 N ATOM 1134 CA LYS A 73 7.189 -13.848 -1.514 1.00 0.00 C ATOM 1135 C LYS A 73 8.346 -13.146 -2.222 1.00 0.00 C ATOM 1136 O LYS A 73 9.435 -13.708 -2.353 1.00 0.00 O ATOM 1137 CB LYS A 73 6.173 -14.346 -2.552 1.00 0.00 C ATOM 1138 CG LYS A 73 6.813 -15.409 -3.461 1.00 0.00 C ATOM 1139 CD LYS A 73 5.854 -15.771 -4.610 1.00 0.00 C ATOM 1140 CE LYS A 73 4.655 -16.555 -4.072 1.00 0.00 C ATOM 1141 NZ LYS A 73 3.922 -17.183 -5.206 1.00 0.00 N ATOM 0 H LYS A 73 5.536 -12.810 -0.733 1.00 0.00 H new ATOM 0 HA LYS A 73 7.586 -14.696 -0.956 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.303 -14.766 -2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.818 -13.509 -3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.753 -15.034 -3.866 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.050 -16.300 -2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.511 -14.863 -5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.379 -16.364 -5.358 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.992 -17.321 -3.374 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.991 -15.890 -3.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.107 -17.716 -4.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.588 -16.443 -5.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.558 -17.830 -5.715 1.00 0.00 H new ATOM 1155 N LEU A 74 8.100 -11.927 -2.694 1.00 0.00 N ATOM 1156 CA LEU A 74 9.119 -11.174 -3.410 1.00 0.00 C ATOM 1157 C LEU A 74 10.145 -10.510 -2.490 1.00 0.00 C ATOM 1158 O LEU A 74 11.341 -10.554 -2.777 1.00 0.00 O ATOM 1159 CB LEU A 74 8.445 -10.097 -4.267 1.00 0.00 C ATOM 1160 CG LEU A 74 7.529 -10.742 -5.323 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.818 -9.637 -6.116 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.351 -11.618 -6.290 1.00 0.00 C ATOM 0 H LEU A 74 7.208 -11.443 -2.593 1.00 0.00 H new ATOM 0 HA LEU A 74 9.661 -11.890 -4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.863 -9.430 -3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.204 -9.488 -4.759 1.00 0.00 H new ATOM 0 HG LEU A 74 6.796 -11.371 -4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.168 -10.088 -6.866 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.221 -9.028 -5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.559 -9.009 -6.610 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.687 -12.066 -7.029 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.095 -11.002 -6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.853 -12.406 -5.729 1.00 0.00 H new ATOM 1174 N ALA A 75 9.692 -9.854 -1.416 1.00 0.00 N ATOM 1175 CA ALA A 75 10.619 -9.143 -0.515 1.00 0.00 C ATOM 1176 C ALA A 75 10.574 -9.658 0.921 1.00 0.00 C ATOM 1177 O ALA A 75 11.198 -9.069 1.803 1.00 0.00 O ATOM 1178 CB ALA A 75 10.274 -7.653 -0.523 1.00 0.00 C ATOM 0 H ALA A 75 8.709 -9.798 -1.149 1.00 0.00 H new ATOM 0 HA ALA A 75 11.628 -9.320 -0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.954 -7.119 0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.373 -7.262 -1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.249 -7.515 -0.179 1.00 0.00 H new ATOM 1184 N ASP A 76 9.863 -10.755 1.170 1.00 0.00 N ATOM 1185 CA ASP A 76 9.808 -11.292 2.533 1.00 0.00 C ATOM 1186 C ASP A 76 9.493 -10.168 3.514 1.00 0.00 C ATOM 1187 O ASP A 76 9.992 -10.151 4.637 1.00 0.00 O ATOM 1188 CB ASP A 76 11.153 -11.926 2.877 1.00 0.00 C ATOM 1189 CG ASP A 76 11.032 -12.734 4.162 1.00 0.00 C ATOM 1190 OD1 ASP A 76 9.990 -12.655 4.795 1.00 0.00 O ATOM 1191 OD2 ASP A 76 11.982 -13.423 4.495 1.00 0.00 O ATOM 0 H ASP A 76 9.332 -11.278 0.473 1.00 0.00 H new ATOM 0 HA ASP A 76 9.026 -12.048 2.600 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.480 -12.571 2.061 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.911 -11.151 2.994 1.00 0.00 H new ATOM 1196 N CYS A 77 8.676 -9.223 3.052 1.00 0.00 N ATOM 1197 CA CYS A 77 8.286 -8.059 3.848 1.00 0.00 C ATOM 1198 C CYS A 77 7.841 -8.435 5.267 1.00 0.00 C ATOM 1199 O CYS A 77 8.034 -9.560 5.728 1.00 0.00 O ATOM 1200 CB CYS A 77 7.152 -7.321 3.127 1.00 0.00 C ATOM 1201 SG CYS A 77 7.820 -6.455 1.686 1.00 0.00 S ATOM 0 H CYS A 77 8.266 -9.242 2.118 1.00 0.00 H new ATOM 0 HA CYS A 77 9.161 -7.418 3.950 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.383 -8.028 2.816 1.00 0.00 H new ATOM 0 HB3 CYS A 77 6.677 -6.611 3.804 1.00 0.00 H new ATOM 0 HG CYS A 77 8.717 -5.597 2.073 1.00 0.00 H new ATOM 1207 N ALA A 78 7.226 -7.466 5.940 1.00 0.00 N ATOM 1208 CA ALA A 78 6.728 -7.654 7.298 1.00 0.00 C ATOM 1209 C ALA A 78 5.318 -8.239 7.275 1.00 0.00 C ATOM 1210 O ALA A 78 4.694 -8.338 6.219 1.00 0.00 O ATOM 1211 CB ALA A 78 6.722 -6.309 8.031 1.00 0.00 C ATOM 0 H ALA A 78 7.060 -6.534 5.561 1.00 0.00 H new ATOM 0 HA ALA A 78 7.383 -8.351 7.821 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.350 -6.449 9.046 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.736 -5.910 8.068 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.076 -5.609 7.501 1.00 0.00 H new ATOM 1217 N GLN A 79 4.821 -8.627 8.449 1.00 0.00 N ATOM 1218 CA GLN A 79 3.478 -9.207 8.570 1.00 0.00 C ATOM 1219 C GLN A 79 2.703 -8.499 9.674 1.00 0.00 C ATOM 1220 O GLN A 79 2.031 -9.135 10.482 1.00 0.00 O ATOM 1221 CB GLN A 79 3.595 -10.692 8.908 1.00 0.00 C ATOM 1222 CG GLN A 79 4.214 -11.430 7.722 1.00 0.00 C ATOM 1223 CD GLN A 79 4.425 -12.901 8.073 1.00 0.00 C ATOM 1224 OE1 GLN A 79 3.784 -13.819 7.405 1.00 0.00 O flip ATOM 1225 NE2 GLN A 79 5.197 -13.220 8.979 1.00 0.00 N flip ATOM 0 H GLN A 79 5.326 -8.551 9.332 1.00 0.00 H new ATOM 0 HA GLN A 79 2.949 -9.084 7.625 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.211 -10.827 9.797 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.612 -11.104 9.135 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.564 -11.345 6.851 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.166 -10.971 7.455 1.00 0.00 H new ATOM 0 HE21 GLN A 79 5.697 -12.500 9.500 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.336 -14.204 9.208 1.00 0.00 H new ATOM 1234 N LEU A 80 2.821 -7.178 9.710 1.00 0.00 N ATOM 1235 CA LEU A 80 2.149 -6.382 10.734 1.00 0.00 C ATOM 1236 C LEU A 80 0.625 -6.441 10.589 1.00 0.00 C ATOM 1237 O LEU A 80 -0.100 -6.247 11.564 1.00 0.00 O ATOM 1238 CB LEU A 80 2.576 -4.912 10.647 1.00 0.00 C ATOM 1239 CG LEU A 80 4.098 -4.786 10.521 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.471 -3.307 10.573 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.791 -5.524 11.665 1.00 0.00 C ATOM 0 H LEU A 80 3.373 -6.635 9.046 1.00 0.00 H new ATOM 0 HA LEU A 80 2.438 -6.806 11.696 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.097 -4.441 9.789 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.236 -4.378 11.534 1.00 0.00 H new ATOM 0 HG LEU A 80 4.420 -5.226 9.577 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.552 -3.201 10.484 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.986 -2.780 9.751 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.141 -2.882 11.521 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.871 -5.425 11.560 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.478 -5.096 12.617 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.519 -6.579 11.635 1.00 0.00 H new ATOM 1253 N LEU A 81 0.138 -6.686 9.367 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.323 -6.739 9.112 1.00 0.00 C ATOM 1255 C LEU A 81 -1.790 -8.132 8.690 1.00 0.00 C ATOM 1256 O LEU A 81 -1.123 -8.822 7.919 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.710 -5.743 8.000 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.837 -4.494 8.070 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -1.148 -3.577 6.886 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -1.123 -3.748 9.364 1.00 0.00 C ATOM 0 H LEU A 81 0.717 -6.850 8.544 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.810 -6.478 10.051 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.598 -6.217 7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.759 -5.466 8.102 1.00 0.00 H new ATOM 0 HG LEU A 81 0.212 -4.789 8.036 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.522 -2.687 6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.947 -4.105 5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.198 -3.285 6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.500 -2.855 9.415 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.174 -3.459 9.393 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.901 -4.394 10.213 1.00 0.00 H new ATOM 1272 N GLU A 82 -2.967 -8.512 9.188 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.570 -9.802 8.863 1.00 0.00 C ATOM 1274 C GLU A 82 -4.815 -9.600 8.008 1.00 0.00 C ATOM 1275 O GLU A 82 -5.662 -8.761 8.309 1.00 0.00 O ATOM 1276 CB GLU A 82 -3.937 -10.537 10.146 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.654 -10.921 10.882 1.00 0.00 C ATOM 1278 CD GLU A 82 -2.990 -11.602 12.203 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -3.900 -11.138 12.872 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -2.332 -12.577 12.528 1.00 0.00 O ATOM 0 H GLU A 82 -3.524 -7.939 9.822 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.850 -10.397 8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.559 -9.903 10.778 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.521 -11.428 9.916 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.056 -11.589 10.262 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.051 -10.032 11.066 1.00 0.00 H new ATOM 1287 N VAL A 83 -4.903 -10.371 6.934 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.023 -10.282 6.006 1.00 0.00 C ATOM 1289 C VAL A 83 -7.364 -10.269 6.735 1.00 0.00 C ATOM 1290 O VAL A 83 -8.194 -9.386 6.518 1.00 0.00 O ATOM 1291 CB VAL A 83 -5.966 -11.501 5.078 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.207 -11.537 4.165 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.673 -11.455 4.246 1.00 0.00 C ATOM 0 H VAL A 83 -4.206 -11.071 6.682 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.943 -9.350 5.446 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.964 -12.411 5.678 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.153 -12.408 3.512 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.107 -11.598 4.777 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.240 -10.631 3.560 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.634 -12.322 3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.657 -10.544 3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.811 -11.467 4.913 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.578 -11.267 7.575 1.00 0.00 N ATOM 1304 CA ASP A 84 -8.832 -11.386 8.311 1.00 0.00 C ATOM 1305 C ASP A 84 -9.147 -10.111 9.088 1.00 0.00 C ATOM 1306 O ASP A 84 -10.283 -9.635 9.071 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.745 -12.567 9.273 1.00 0.00 C ATOM 1308 CG ASP A 84 -7.561 -12.376 10.214 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -6.776 -11.483 9.966 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -7.459 -13.128 11.168 1.00 0.00 O ATOM 0 H ASP A 84 -6.903 -12.007 7.767 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.635 -11.548 7.592 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.668 -12.650 9.847 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.632 -13.496 8.714 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.145 -9.569 9.768 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.338 -8.360 10.548 1.00 0.00 C ATOM 1317 C ASP A 85 -8.799 -7.229 9.642 1.00 0.00 C ATOM 1318 O ASP A 85 -9.717 -6.486 9.962 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.027 -7.966 11.222 1.00 0.00 C ATOM 1320 CG ASP A 85 -6.719 -8.919 12.370 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -7.606 -9.665 12.751 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -5.599 -8.891 12.852 1.00 0.00 O ATOM 0 H ASP A 85 -7.198 -9.946 9.794 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.096 -8.546 11.309 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.215 -7.986 10.495 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.094 -6.944 11.596 1.00 0.00 H new ATOM 1327 N MET A 86 -8.164 -7.109 8.499 1.00 0.00 N ATOM 1328 CA MET A 86 -8.542 -6.066 7.555 1.00 0.00 C ATOM 1329 C MET A 86 -9.965 -6.287 7.061 1.00 0.00 C ATOM 1330 O MET A 86 -10.769 -5.359 6.977 1.00 0.00 O ATOM 1331 CB MET A 86 -7.604 -6.106 6.345 1.00 0.00 C ATOM 1332 CG MET A 86 -6.140 -5.917 6.794 1.00 0.00 C ATOM 1333 SD MET A 86 -5.219 -5.055 5.500 1.00 0.00 S ATOM 1334 CE MET A 86 -5.537 -3.377 6.090 1.00 0.00 C ATOM 0 H MET A 86 -7.395 -7.707 8.197 1.00 0.00 H new ATOM 0 HA MET A 86 -8.474 -5.103 8.061 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.712 -7.058 5.825 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.878 -5.323 5.638 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.104 -5.347 7.722 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.683 -6.885 6.997 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.290 -2.662 5.305 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.590 -3.277 6.354 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.923 -3.177 6.968 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.249 -7.532 6.730 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.559 -7.905 6.220 1.00 0.00 C ATOM 1346 C VAL A 87 -12.662 -7.645 7.234 1.00 0.00 C ATOM 1347 O VAL A 87 -13.680 -7.032 6.910 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.542 -9.398 5.868 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -12.950 -9.861 5.468 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.563 -9.641 4.708 1.00 0.00 C ATOM 0 H VAL A 87 -9.589 -8.306 6.805 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.767 -7.296 5.340 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.219 -9.968 6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.927 -10.922 5.220 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.637 -9.697 6.299 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.287 -9.293 4.601 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.551 -10.702 4.458 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.880 -9.067 3.838 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.562 -9.327 5.005 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.463 -8.109 8.460 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.460 -7.930 9.505 1.00 0.00 C ATOM 1362 C ARG A 88 -13.562 -6.474 9.952 1.00 0.00 C ATOM 1363 O ARG A 88 -14.658 -5.941 10.125 1.00 0.00 O ATOM 1364 CB ARG A 88 -13.077 -8.827 10.697 1.00 0.00 C ATOM 1365 CG ARG A 88 -11.978 -8.155 11.527 1.00 0.00 C ATOM 1366 CD ARG A 88 -11.394 -9.135 12.529 1.00 0.00 C ATOM 1367 NE ARG A 88 -12.427 -9.578 13.452 1.00 0.00 N ATOM 1368 CZ ARG A 88 -12.160 -10.462 14.404 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -11.074 -10.345 15.119 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -12.983 -11.449 14.621 1.00 0.00 N ATOM 0 H ARG A 88 -11.624 -8.610 8.754 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.437 -8.210 9.112 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -13.952 -9.012 11.319 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -12.731 -9.796 10.337 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.191 -7.786 10.869 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.387 -7.291 12.051 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -10.970 -9.992 12.007 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -10.581 -8.663 13.080 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.372 -9.203 13.366 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -10.430 -9.573 14.946 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -10.870 -11.025 15.851 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -13.830 -11.540 14.059 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -12.780 -12.131 15.352 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.411 -5.846 10.163 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.392 -4.469 10.616 1.00 0.00 C ATOM 1386 C LEU A 89 -13.046 -3.571 9.580 1.00 0.00 C ATOM 1387 O LEU A 89 -13.939 -2.785 9.899 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.939 -4.022 10.835 1.00 0.00 C ATOM 1389 CG LEU A 89 -10.328 -4.734 12.059 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.804 -4.553 12.043 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -10.895 -4.141 13.362 1.00 0.00 C ATOM 0 H LEU A 89 -11.491 -6.266 10.028 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.944 -4.395 11.553 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.347 -4.243 9.947 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.903 -2.942 10.981 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.579 -5.794 12.013 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.369 -5.055 12.907 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.396 -4.984 11.129 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.563 -3.491 12.082 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.454 -4.654 14.217 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.655 -3.079 13.413 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.977 -4.270 13.380 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.559 -3.667 8.351 1.00 0.00 N ATOM 1404 CA ALA A 90 -13.064 -2.823 7.278 1.00 0.00 C ATOM 1405 C ALA A 90 -12.704 -1.382 7.624 1.00 0.00 C ATOM 1406 O ALA A 90 -13.316 -0.425 7.145 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.585 -2.981 7.141 1.00 0.00 C ATOM 0 H ALA A 90 -11.821 -4.315 8.074 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.620 -3.109 6.325 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.946 -2.343 6.334 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.824 -4.020 6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -15.066 -2.692 8.075 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.681 -1.272 8.471 1.00 0.00 N ATOM 1414 CA VAL A 91 -11.167 0.012 8.942 1.00 0.00 C ATOM 1415 C VAL A 91 -9.751 -0.180 9.505 1.00 0.00 C ATOM 1416 O VAL A 91 -9.596 -0.480 10.689 1.00 0.00 O ATOM 1417 CB VAL A 91 -12.076 0.570 10.053 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.413 1.796 10.703 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.433 0.980 9.462 1.00 0.00 C ATOM 0 H VAL A 91 -11.183 -2.077 8.852 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.145 0.712 8.107 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.228 -0.203 10.806 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.061 2.186 11.488 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.455 1.506 11.134 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.253 2.566 9.948 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.071 1.374 10.254 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.282 1.747 8.702 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.911 0.111 9.010 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.718 -0.020 8.706 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.319 -0.184 9.189 1.00 0.00 C ATOM 1431 C PRO A 92 -6.892 0.995 10.059 1.00 0.00 C ATOM 1432 O PRO A 92 -7.662 1.930 10.279 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.464 -0.282 7.903 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.420 -0.179 6.742 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.759 0.329 7.283 1.00 0.00 C ATOM 0 HA PRO A 92 -7.204 -1.066 9.819 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.724 0.518 7.868 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.917 -1.224 7.872 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.030 0.502 5.985 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.545 -1.150 6.263 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.867 1.404 7.138 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.600 -0.147 6.779 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.652 0.944 10.538 1.00 0.00 N ATOM 1444 CA ASP A 93 -5.111 2.014 11.374 1.00 0.00 C ATOM 1445 C ASP A 93 -3.961 2.708 10.649 1.00 0.00 C ATOM 1446 O ASP A 93 -3.034 2.065 10.162 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.650 1.436 12.708 1.00 0.00 C ATOM 1448 CG ASP A 93 -5.859 0.985 13.517 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -6.960 1.360 13.155 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -5.665 0.266 14.485 1.00 0.00 O ATOM 0 H ASP A 93 -5.004 0.176 10.363 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.886 2.756 11.569 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.979 0.594 12.538 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.087 2.185 13.265 1.00 0.00 H new ATOM 1455 N SER A 94 -4.052 4.028 10.562 1.00 0.00 N ATOM 1456 CA SER A 94 -3.041 4.821 9.870 1.00 0.00 C ATOM 1457 C SER A 94 -1.638 4.465 10.338 1.00 0.00 C ATOM 1458 O SER A 94 -0.686 4.493 9.558 1.00 0.00 O ATOM 1459 CB SER A 94 -3.290 6.306 10.118 1.00 0.00 C ATOM 1460 OG SER A 94 -2.370 7.070 9.351 1.00 0.00 O ATOM 0 H SER A 94 -4.815 4.574 10.962 1.00 0.00 H new ATOM 0 HA SER A 94 -3.116 4.600 8.805 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.313 6.566 9.845 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.175 6.534 11.178 1.00 0.00 H new ATOM 0 HG SER A 94 -2.528 8.025 9.507 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.524 4.115 11.603 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.235 3.740 12.163 1.00 0.00 C ATOM 1468 C LYS A 95 0.216 2.391 11.624 1.00 0.00 C ATOM 1469 O LYS A 95 1.391 2.194 11.318 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.321 3.667 13.689 1.00 0.00 C ATOM 1471 CG LYS A 95 -1.629 2.986 14.101 1.00 0.00 C ATOM 1472 CD LYS A 95 -1.632 2.755 15.613 1.00 0.00 C ATOM 1473 CE LYS A 95 -2.943 2.085 16.032 1.00 0.00 C ATOM 1474 NZ LYS A 95 -3.017 0.720 15.437 1.00 0.00 N ATOM 0 H LYS A 95 -2.302 4.081 12.262 1.00 0.00 H new ATOM 0 HA LYS A 95 0.490 4.500 11.873 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.529 3.112 14.084 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.272 4.670 14.114 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.479 3.606 13.816 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.737 2.036 13.577 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.786 2.129 15.896 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.515 3.704 16.136 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.001 2.023 17.119 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.792 2.684 15.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.965 0.567 15.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.305 0.630 14.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.833 0.010 16.174 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.723 1.461 11.515 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.405 0.127 11.016 1.00 0.00 C ATOM 1490 C CYS A 96 0.033 0.191 9.560 1.00 0.00 C ATOM 1491 O CYS A 96 1.040 -0.405 9.178 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.627 -0.792 11.164 1.00 0.00 C ATOM 1493 SG CYS A 96 -2.757 -0.584 9.755 1.00 0.00 S ATOM 0 H CYS A 96 -1.703 1.602 11.762 1.00 0.00 H new ATOM 0 HA CYS A 96 0.418 -0.279 11.604 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.302 -1.831 11.227 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -2.150 -0.565 12.093 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.175 0.646 9.712 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.737 0.918 8.759 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.434 1.066 7.348 1.00 0.00 C ATOM 1501 C VAL A 97 0.894 1.776 7.211 1.00 0.00 C ATOM 1502 O VAL A 97 1.750 1.383 6.424 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.518 1.900 6.663 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -1.162 2.088 5.188 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.870 1.195 6.785 1.00 0.00 C ATOM 0 H VAL A 97 -1.575 1.412 9.066 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.392 0.082 6.880 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.582 2.875 7.146 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.935 2.682 4.700 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.204 2.602 5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.093 1.114 4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.638 1.794 6.295 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.814 0.216 6.309 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.122 1.072 7.838 1.00 0.00 H new ATOM 1515 N TYR A 98 1.055 2.829 8.000 1.00 0.00 N ATOM 1516 CA TYR A 98 2.282 3.600 7.976 1.00 0.00 C ATOM 1517 C TYR A 98 3.459 2.715 8.348 1.00 0.00 C ATOM 1518 O TYR A 98 4.466 2.677 7.642 1.00 0.00 O ATOM 1519 CB TYR A 98 2.174 4.756 8.976 1.00 0.00 C ATOM 1520 CG TYR A 98 3.511 5.439 9.109 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.497 4.881 9.933 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.770 6.623 8.410 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.743 5.506 10.055 1.00 0.00 C ATOM 1524 CE2 TYR A 98 5.017 7.250 8.537 1.00 0.00 C ATOM 1525 CZ TYR A 98 6.002 6.690 9.358 1.00 0.00 C ATOM 1526 OH TYR A 98 7.231 7.305 9.476 1.00 0.00 O ATOM 0 H TYR A 98 0.353 3.165 8.660 1.00 0.00 H new ATOM 0 HA TYR A 98 2.438 3.996 6.972 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.422 5.470 8.641 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.848 4.381 9.946 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.295 3.968 10.474 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.011 7.053 7.774 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.504 5.074 10.687 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.218 8.166 8.001 1.00 0.00 H new ATOM 0 HH TYR A 98 7.336 7.966 8.760 1.00 0.00 H new ATOM 1536 N THR A 99 3.323 2.006 9.458 1.00 0.00 N ATOM 1537 CA THR A 99 4.385 1.130 9.914 1.00 0.00 C ATOM 1538 C THR A 99 4.717 0.110 8.836 1.00 0.00 C ATOM 1539 O THR A 99 5.887 -0.127 8.536 1.00 0.00 O ATOM 1540 CB THR A 99 3.964 0.404 11.194 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.453 1.348 12.125 1.00 0.00 O ATOM 1542 CG2 THR A 99 5.171 -0.317 11.794 1.00 0.00 C ATOM 0 H THR A 99 2.495 2.021 10.053 1.00 0.00 H new ATOM 0 HA THR A 99 5.267 1.735 10.123 1.00 0.00 H new ATOM 0 HB THR A 99 3.190 -0.328 10.962 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.481 1.416 12.022 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.870 -0.834 12.705 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.556 -1.042 11.076 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.949 0.409 12.029 1.00 0.00 H new ATOM 1550 N TYR A 100 3.686 -0.480 8.242 1.00 0.00 N ATOM 1551 CA TYR A 100 3.880 -1.462 7.187 1.00 0.00 C ATOM 1552 C TYR A 100 4.601 -0.827 6.007 1.00 0.00 C ATOM 1553 O TYR A 100 5.586 -1.359 5.496 1.00 0.00 O ATOM 1554 CB TYR A 100 2.512 -1.946 6.718 1.00 0.00 C ATOM 1555 CG TYR A 100 2.689 -3.122 5.798 1.00 0.00 C ATOM 1556 CD1 TYR A 100 2.933 -2.914 4.439 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.604 -4.421 6.305 1.00 0.00 C ATOM 1558 CE1 TYR A 100 3.092 -4.009 3.583 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.764 -5.517 5.452 1.00 0.00 C ATOM 1560 CZ TYR A 100 3.008 -5.311 4.089 1.00 0.00 C ATOM 1561 OH TYR A 100 3.170 -6.390 3.244 1.00 0.00 O ATOM 0 H TYR A 100 2.710 -0.295 8.474 1.00 0.00 H new ATOM 0 HA TYR A 100 4.475 -2.291 7.569 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.900 -2.229 7.575 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.986 -1.142 6.202 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.999 -1.909 4.049 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.415 -4.579 7.357 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.280 -3.849 2.531 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.699 -6.521 5.844 1.00 0.00 H new ATOM 0 HH TYR A 100 3.322 -7.200 3.774 1.00 0.00 H new ATOM 1571 N ILE A 101 4.087 0.325 5.591 1.00 0.00 N ATOM 1572 CA ILE A 101 4.658 1.065 4.476 1.00 0.00 C ATOM 1573 C ILE A 101 6.098 1.434 4.814 1.00 0.00 C ATOM 1574 O ILE A 101 6.990 1.358 3.970 1.00 0.00 O ATOM 1575 CB ILE A 101 3.830 2.338 4.217 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.437 1.965 3.655 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.561 3.255 3.236 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.484 1.676 2.141 1.00 0.00 C ATOM 0 H ILE A 101 3.271 0.767 6.013 1.00 0.00 H new ATOM 0 HA ILE A 101 4.642 0.450 3.576 1.00 0.00 H new ATOM 0 HB ILE A 101 3.700 2.866 5.162 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.057 1.089 4.180 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.738 2.779 3.847 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.965 4.151 3.062 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.527 3.538 3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.713 2.731 2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.485 1.418 1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 101 2.838 2.561 1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.162 0.844 1.950 1.00 0.00 H new ATOM 1590 N GLN A 102 6.303 1.833 6.063 1.00 0.00 N ATOM 1591 CA GLN A 102 7.628 2.215 6.536 1.00 0.00 C ATOM 1592 C GLN A 102 8.650 1.130 6.219 1.00 0.00 C ATOM 1593 O GLN A 102 9.625 1.365 5.505 1.00 0.00 O ATOM 1594 CB GLN A 102 7.594 2.423 8.052 1.00 0.00 C ATOM 1595 CG GLN A 102 8.795 3.272 8.478 1.00 0.00 C ATOM 1596 CD GLN A 102 8.837 3.401 9.996 1.00 0.00 C ATOM 1597 OE1 GLN A 102 8.406 2.419 10.738 1.00 0.00 O flip ATOM 1598 NE2 GLN A 102 9.276 4.424 10.518 1.00 0.00 N flip ATOM 0 H GLN A 102 5.568 1.901 6.767 1.00 0.00 H new ATOM 0 HA GLN A 102 7.915 3.138 6.032 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.666 2.916 8.341 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.616 1.460 8.562 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.718 2.816 8.119 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.730 4.261 8.023 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.612 5.190 9.935 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.304 4.506 11.534 1.00 0.00 H new ATOM 1607 N GLU A 103 8.424 -0.053 6.780 1.00 0.00 N ATOM 1608 CA GLU A 103 9.338 -1.159 6.568 1.00 0.00 C ATOM 1609 C GLU A 103 9.438 -1.463 5.082 1.00 0.00 C ATOM 1610 O GLU A 103 10.530 -1.632 4.538 1.00 0.00 O ATOM 1611 CB GLU A 103 8.843 -2.386 7.330 1.00 0.00 C ATOM 1612 CG GLU A 103 9.008 -2.157 8.834 1.00 0.00 C ATOM 1613 CD GLU A 103 8.303 -3.265 9.611 1.00 0.00 C ATOM 1614 OE1 GLU A 103 7.374 -3.836 9.069 1.00 0.00 O ATOM 1615 OE2 GLU A 103 8.692 -3.514 10.739 1.00 0.00 O ATOM 0 H GLU A 103 7.625 -0.265 7.377 1.00 0.00 H new ATOM 0 HA GLU A 103 10.327 -0.891 6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.796 -2.576 7.093 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.404 -3.268 7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.067 -2.137 9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.594 -1.187 9.110 1.00 0.00 H new ATOM 1622 N LEU A 104 8.286 -1.532 4.431 1.00 0.00 N ATOM 1623 CA LEU A 104 8.233 -1.819 3.009 1.00 0.00 C ATOM 1624 C LEU A 104 9.016 -0.780 2.222 1.00 0.00 C ATOM 1625 O LEU A 104 9.810 -1.118 1.347 1.00 0.00 O ATOM 1626 CB LEU A 104 6.771 -1.760 2.573 1.00 0.00 C ATOM 1627 CG LEU A 104 6.610 -2.094 1.081 1.00 0.00 C ATOM 1628 CD1 LEU A 104 6.881 -3.581 0.837 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.179 -1.757 0.652 1.00 0.00 C ATOM 0 H LEU A 104 7.375 -1.393 4.868 1.00 0.00 H new ATOM 0 HA LEU A 104 8.667 -2.801 2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.185 -2.460 3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.373 -0.764 2.768 1.00 0.00 H new ATOM 0 HG LEU A 104 7.324 -1.510 0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.763 -3.803 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.898 -3.821 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.175 -4.179 1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.052 -1.990 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.475 -2.345 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.991 -0.696 0.815 1.00 0.00 H new ATOM 1641 N TYR A 105 8.780 0.484 2.541 1.00 0.00 N ATOM 1642 CA TYR A 105 9.452 1.574 1.855 1.00 0.00 C ATOM 1643 C TYR A 105 10.945 1.345 1.879 1.00 0.00 C ATOM 1644 O TYR A 105 11.637 1.496 0.873 1.00 0.00 O ATOM 1645 CB TYR A 105 9.135 2.879 2.583 1.00 0.00 C ATOM 1646 CG TYR A 105 9.762 4.042 1.859 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.133 4.580 0.731 1.00 0.00 C ATOM 1648 CD2 TYR A 105 10.966 4.589 2.317 1.00 0.00 C ATOM 1649 CE1 TYR A 105 9.707 5.663 0.059 1.00 0.00 C ATOM 1650 CE2 TYR A 105 11.541 5.674 1.646 1.00 0.00 C ATOM 1651 CZ TYR A 105 10.912 6.210 0.516 1.00 0.00 C ATOM 1652 OH TYR A 105 11.476 7.280 -0.146 1.00 0.00 O ATOM 0 H TYR A 105 8.129 0.778 3.269 1.00 0.00 H new ATOM 0 HA TYR A 105 9.111 1.625 0.821 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.056 3.018 2.643 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.508 2.834 3.606 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.203 4.158 0.379 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.451 4.174 3.188 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.221 6.077 -0.812 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.469 6.098 2.000 1.00 0.00 H new ATOM 0 HH TYR A 105 12.309 7.539 0.301 1.00 0.00 H new ATOM 1662 N ARG A 106 11.430 1.005 3.052 1.00 0.00 N ATOM 1663 CA ARG A 106 12.847 0.781 3.245 1.00 0.00 C ATOM 1664 C ARG A 106 13.345 -0.355 2.361 1.00 0.00 C ATOM 1665 O ARG A 106 14.423 -0.262 1.780 1.00 0.00 O ATOM 1666 CB ARG A 106 13.090 0.478 4.718 1.00 0.00 C ATOM 1667 CG ARG A 106 12.862 1.764 5.516 1.00 0.00 C ATOM 1668 CD ARG A 106 12.950 1.473 7.010 1.00 0.00 C ATOM 1669 NE ARG A 106 14.291 1.027 7.358 1.00 0.00 N ATOM 1670 CZ ARG A 106 14.526 0.405 8.505 1.00 0.00 C ATOM 1671 NH1 ARG A 106 14.482 1.068 9.627 1.00 0.00 N ATOM 1672 NH2 ARG A 106 14.793 -0.872 8.511 1.00 0.00 N ATOM 0 H ARG A 106 10.863 0.877 3.890 1.00 0.00 H new ATOM 0 HA ARG A 106 13.403 1.674 2.959 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.415 -0.306 5.061 1.00 0.00 H new ATOM 0 HB3 ARG A 106 14.106 0.113 4.868 1.00 0.00 H new ATOM 0 HG2 ARG A 106 13.606 2.511 5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 106 11.885 2.183 5.276 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.698 2.369 7.578 1.00 0.00 H new ATOM 0 HD3 ARG A 106 12.223 0.708 7.282 1.00 0.00 H new ATOM 0 HE ARG A 106 15.061 1.195 6.710 1.00 0.00 H new ATOM 0 HH11 ARG A 106 14.267 2.065 9.622 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.663 0.590 10.510 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.821 -1.391 7.634 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.974 -1.351 9.393 1.00 0.00 H new ATOM 1686 N SER A 107 12.555 -1.414 2.238 1.00 0.00 N ATOM 1687 CA SER A 107 12.952 -2.531 1.388 1.00 0.00 C ATOM 1688 C SER A 107 13.144 -2.051 -0.054 1.00 0.00 C ATOM 1689 O SER A 107 14.079 -2.468 -0.741 1.00 0.00 O ATOM 1690 CB SER A 107 11.898 -3.639 1.425 1.00 0.00 C ATOM 1691 OG SER A 107 11.856 -4.208 2.729 1.00 0.00 O ATOM 0 H SER A 107 11.655 -1.524 2.704 1.00 0.00 H new ATOM 0 HA SER A 107 13.894 -2.931 1.765 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.921 -3.235 1.161 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.135 -4.407 0.689 1.00 0.00 H new ATOM 0 HG SER A 107 11.180 -4.917 2.755 1.00 0.00 H new ATOM 1697 N LEU A 108 12.251 -1.171 -0.507 1.00 0.00 N ATOM 1698 CA LEU A 108 12.329 -0.630 -1.859 1.00 0.00 C ATOM 1699 C LEU A 108 13.528 0.303 -2.010 1.00 0.00 C ATOM 1700 O LEU A 108 14.135 0.386 -3.078 1.00 0.00 O ATOM 1701 CB LEU A 108 11.067 0.159 -2.204 1.00 0.00 C ATOM 1702 CG LEU A 108 9.810 -0.675 -1.947 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.576 0.201 -2.173 1.00 0.00 C ATOM 1704 CD2 LEU A 108 9.764 -1.868 -2.904 1.00 0.00 C ATOM 0 H LEU A 108 11.467 -0.820 0.043 1.00 0.00 H new ATOM 0 HA LEU A 108 12.435 -1.479 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.030 1.071 -1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.098 0.462 -3.250 1.00 0.00 H new ATOM 0 HG LEU A 108 9.826 -1.043 -0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.675 -0.386 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.601 1.048 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.571 0.565 -3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.865 -2.454 -2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.750 -1.509 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.644 -2.492 -2.750 1.00 0.00 H new ATOM 1716 N VAL A 109 13.835 1.041 -0.946 1.00 0.00 N ATOM 1717 CA VAL A 109 14.930 1.994 -0.990 1.00 0.00 C ATOM 1718 C VAL A 109 16.258 1.287 -1.216 1.00 0.00 C ATOM 1719 O VAL A 109 17.033 1.678 -2.090 1.00 0.00 O ATOM 1720 CB VAL A 109 14.962 2.794 0.319 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.275 3.575 0.426 1.00 0.00 C ATOM 1722 CG2 VAL A 109 13.787 3.781 0.338 1.00 0.00 C ATOM 0 H VAL A 109 13.344 0.995 -0.053 1.00 0.00 H new ATOM 0 HA VAL A 109 14.771 2.676 -1.826 1.00 0.00 H new ATOM 0 HB VAL A 109 14.885 2.105 1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.288 4.139 1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.114 2.880 0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.359 4.263 -0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 109 13.806 4.352 1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 109 13.871 4.463 -0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.849 3.231 0.269 1.00 0.00 H new ATOM 1732 N GLN A 110 16.512 0.244 -0.434 1.00 0.00 N ATOM 1733 CA GLN A 110 17.748 -0.502 -0.585 1.00 0.00 C ATOM 1734 C GLN A 110 17.762 -1.197 -1.934 1.00 0.00 C ATOM 1735 O GLN A 110 18.770 -1.189 -2.642 1.00 0.00 O ATOM 1736 CB GLN A 110 17.899 -1.535 0.539 1.00 0.00 C ATOM 1737 CG GLN A 110 16.651 -2.419 0.618 1.00 0.00 C ATOM 1738 CD GLN A 110 16.701 -3.322 1.850 1.00 0.00 C ATOM 1739 OE1 GLN A 110 15.849 -4.195 2.017 1.00 0.00 O ATOM 1740 NE2 GLN A 110 17.650 -3.163 2.728 1.00 0.00 N ATOM 0 H GLN A 110 15.889 -0.097 0.298 1.00 0.00 H new ATOM 0 HA GLN A 110 18.585 0.193 -0.526 1.00 0.00 H new ATOM 0 HB2 GLN A 110 18.779 -2.152 0.360 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.054 -1.027 1.491 1.00 0.00 H new ATOM 0 HG2 GLN A 110 15.759 -1.794 0.656 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.574 -3.029 -0.282 1.00 0.00 H new ATOM 0 HE21 GLN A 110 18.356 -2.440 2.590 1.00 0.00 H new ATOM 0 HE22 GLN A 110 17.687 -3.762 3.553 1.00 0.00 H new ATOM 1749 N LYS A 111 16.628 -1.787 -2.288 1.00 0.00 N ATOM 1750 CA LYS A 111 16.501 -2.483 -3.554 1.00 0.00 C ATOM 1751 C LYS A 111 16.801 -1.536 -4.712 1.00 0.00 C ATOM 1752 O LYS A 111 17.222 -1.973 -5.783 1.00 0.00 O ATOM 1753 CB LYS A 111 15.083 -3.060 -3.703 1.00 0.00 C ATOM 1754 CG LYS A 111 14.902 -4.308 -2.815 1.00 0.00 C ATOM 1755 CD LYS A 111 15.525 -5.539 -3.491 1.00 0.00 C ATOM 1756 CE LYS A 111 15.046 -6.813 -2.792 1.00 0.00 C ATOM 1757 NZ LYS A 111 15.586 -6.861 -1.404 1.00 0.00 N ATOM 0 H LYS A 111 15.785 -1.796 -1.714 1.00 0.00 H new ATOM 0 HA LYS A 111 17.221 -3.302 -3.573 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.347 -2.304 -3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 111 14.899 -3.320 -4.745 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.369 -4.143 -1.844 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.842 -4.482 -2.633 1.00 0.00 H new ATOM 0 HD2 LYS A 111 15.248 -5.566 -4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 111 16.612 -5.477 -3.449 1.00 0.00 H new ATOM 0 HE2 LYS A 111 13.957 -6.839 -2.769 1.00 0.00 H new ATOM 0 HE3 LYS A 111 15.374 -7.690 -3.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 15.372 -7.786 -0.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 16.616 -6.720 -1.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.147 -6.110 -0.834 1.00 0.00 H new ATOM 1771 N GLY A 112 16.562 -0.245 -4.499 1.00 0.00 N ATOM 1772 CA GLY A 112 16.793 0.753 -5.544 1.00 0.00 C ATOM 1773 C GLY A 112 15.567 0.846 -6.436 1.00 0.00 C ATOM 1774 O GLY A 112 15.616 1.368 -7.551 1.00 0.00 O ATOM 0 H GLY A 112 16.211 0.135 -3.620 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.003 1.724 -5.095 1.00 0.00 H new ATOM 0 HA3 GLY A 112 17.667 0.480 -6.136 1.00 0.00 H new ATOM 1778 N LEU A 113 14.463 0.335 -5.907 1.00 0.00 N ATOM 1779 CA LEU A 113 13.183 0.345 -6.600 1.00 0.00 C ATOM 1780 C LEU A 113 12.551 1.739 -6.560 1.00 0.00 C ATOM 1781 O LEU A 113 11.960 2.194 -7.539 1.00 0.00 O ATOM 1782 CB LEU A 113 12.257 -0.677 -5.929 1.00 0.00 C ATOM 1783 CG LEU A 113 12.589 -2.100 -6.412 1.00 0.00 C ATOM 1784 CD1 LEU A 113 11.919 -3.113 -5.477 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.080 -2.314 -7.854 1.00 0.00 C ATOM 0 H LEU A 113 14.431 -0.098 -4.984 1.00 0.00 H new ATOM 0 HA LEU A 113 13.336 0.081 -7.646 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.365 -0.619 -4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.218 -0.441 -6.159 1.00 0.00 H new ATOM 0 HG LEU A 113 13.670 -2.238 -6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.149 -4.125 -5.812 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.291 -2.973 -4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.840 -2.963 -5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.323 -3.325 -8.179 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.999 -2.174 -7.883 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.557 -1.594 -8.519 1.00 0.00 H new ATOM 1797 N VAL A 114 12.663 2.396 -5.410 1.00 0.00 N ATOM 1798 CA VAL A 114 12.081 3.726 -5.231 1.00 0.00 C ATOM 1799 C VAL A 114 12.652 4.717 -6.252 1.00 0.00 C ATOM 1800 O VAL A 114 11.935 5.584 -6.751 1.00 0.00 O ATOM 1801 CB VAL A 114 12.309 4.207 -3.774 1.00 0.00 C ATOM 1802 CG1 VAL A 114 12.376 5.743 -3.700 1.00 0.00 C ATOM 1803 CG2 VAL A 114 11.159 3.710 -2.876 1.00 0.00 C ATOM 0 H VAL A 114 13.149 2.033 -4.590 1.00 0.00 H new ATOM 0 HA VAL A 114 11.007 3.671 -5.408 1.00 0.00 H new ATOM 0 HB VAL A 114 13.259 3.798 -3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.536 6.051 -2.667 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.200 6.101 -4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.439 6.166 -4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 114 11.323 4.050 -1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.213 4.107 -3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 114 11.127 2.621 -2.895 1.00 0.00 H new ATOM 1813 N LYS A 115 13.930 4.581 -6.559 1.00 0.00 N ATOM 1814 CA LYS A 115 14.583 5.469 -7.532 1.00 0.00 C ATOM 1815 C LYS A 115 14.565 4.833 -8.925 1.00 0.00 C ATOM 1816 O LYS A 115 15.614 4.546 -9.502 1.00 0.00 O ATOM 1817 CB LYS A 115 16.031 5.738 -7.097 1.00 0.00 C ATOM 1818 CG LYS A 115 16.032 6.606 -5.828 1.00 0.00 C ATOM 1819 CD LYS A 115 17.474 6.823 -5.348 1.00 0.00 C ATOM 1820 CE LYS A 115 17.476 7.579 -4.012 1.00 0.00 C ATOM 1821 NZ LYS A 115 16.877 8.933 -4.193 1.00 0.00 N ATOM 0 H LYS A 115 14.542 3.871 -6.156 1.00 0.00 H new ATOM 0 HA LYS A 115 14.039 6.413 -7.572 1.00 0.00 H new ATOM 0 HB2 LYS A 115 16.546 4.796 -6.907 1.00 0.00 H new ATOM 0 HB3 LYS A 115 16.574 6.242 -7.896 1.00 0.00 H new ATOM 0 HG2 LYS A 115 15.559 7.566 -6.033 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.447 6.123 -5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 115 17.976 5.862 -5.232 1.00 0.00 H new ATOM 0 HD3 LYS A 115 18.033 7.387 -6.095 1.00 0.00 H new ATOM 0 HE2 LYS A 115 16.911 7.019 -3.267 1.00 0.00 H new ATOM 0 HE3 LYS A 115 18.496 7.670 -3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 17.077 9.516 -3.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 17.287 9.384 -5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.848 8.844 -4.315 1.00 0.00 H new ATOM 1835 N THR A 116 13.359 4.608 -9.453 1.00 0.00 N ATOM 1836 CA THR A 116 13.209 3.994 -10.771 1.00 0.00 C ATOM 1837 C THR A 116 13.561 4.971 -11.882 1.00 0.00 C ATOM 1838 O THR A 116 14.415 4.692 -12.724 1.00 0.00 O ATOM 1839 CB THR A 116 11.764 3.518 -10.957 1.00 0.00 C ATOM 1840 OG1 THR A 116 11.334 2.851 -9.778 1.00 0.00 O ATOM 1841 CG2 THR A 116 11.688 2.555 -12.143 1.00 0.00 C ATOM 0 H THR A 116 12.480 4.840 -8.991 1.00 0.00 H new ATOM 0 HA THR A 116 13.894 3.148 -10.827 1.00 0.00 H new ATOM 0 HB THR A 116 11.121 4.377 -11.148 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.113 2.622 -9.229 1.00 0.00 H new ATOM 0 HG21 THR A 116 10.660 2.218 -12.273 1.00 0.00 H new ATOM 0 HG22 THR A 116 12.020 3.065 -13.047 1.00 0.00 H new ATOM 0 HG23 THR A 116 12.330 1.695 -11.955 1.00 0.00 H new ATOM 1849 N LYS A 117 12.892 6.113 -11.883 1.00 0.00 N ATOM 1850 CA LYS A 117 13.125 7.139 -12.904 1.00 0.00 C ATOM 1851 C LYS A 117 13.080 8.537 -12.298 1.00 0.00 C ATOM 1852 O LYS A 117 12.157 8.873 -11.557 1.00 0.00 O ATOM 1853 CB LYS A 117 12.054 7.034 -13.991 1.00 0.00 C ATOM 1854 CG LYS A 117 12.300 5.784 -14.842 1.00 0.00 C ATOM 1855 CD LYS A 117 11.118 5.567 -15.794 1.00 0.00 C ATOM 1856 CE LYS A 117 11.190 6.569 -16.950 1.00 0.00 C ATOM 1857 NZ LYS A 117 10.189 6.203 -17.984 1.00 0.00 N ATOM 0 H LYS A 117 12.183 6.359 -11.192 1.00 0.00 H new ATOM 0 HA LYS A 117 14.114 6.974 -13.331 1.00 0.00 H new ATOM 0 HB2 LYS A 117 11.065 6.987 -13.536 1.00 0.00 H new ATOM 0 HB3 LYS A 117 12.073 7.924 -14.621 1.00 0.00 H new ATOM 0 HG2 LYS A 117 13.223 5.896 -15.412 1.00 0.00 H new ATOM 0 HG3 LYS A 117 12.426 4.913 -14.199 1.00 0.00 H new ATOM 0 HD2 LYS A 117 11.135 4.549 -16.182 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.178 5.687 -15.255 1.00 0.00 H new ATOM 0 HE2 LYS A 117 10.998 7.578 -16.584 1.00 0.00 H new ATOM 0 HE3 LYS A 117 12.191 6.571 -17.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 10.237 6.883 -18.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 10.392 5.247 -18.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 9.236 6.222 -17.567 1.00 0.00 H new ATOM 1871 N LYS A 118 14.074 9.357 -12.632 1.00 0.00 N ATOM 1872 CA LYS A 118 14.132 10.733 -12.126 1.00 0.00 C ATOM 1873 C LYS A 118 13.536 11.689 -13.158 1.00 0.00 C ATOM 1874 O LYS A 118 13.813 11.577 -14.353 1.00 0.00 O ATOM 1875 CB LYS A 118 15.588 11.111 -11.826 1.00 0.00 C ATOM 1876 CG LYS A 118 15.657 12.513 -11.207 1.00 0.00 C ATOM 1877 CD LYS A 118 17.112 12.836 -10.837 1.00 0.00 C ATOM 1878 CE LYS A 118 17.193 14.229 -10.205 1.00 0.00 C ATOM 1879 NZ LYS A 118 16.715 15.244 -11.184 1.00 0.00 N ATOM 0 H LYS A 118 14.846 9.099 -13.246 1.00 0.00 H new ATOM 0 HA LYS A 118 13.552 10.806 -11.206 1.00 0.00 H new ATOM 0 HB2 LYS A 118 16.027 10.383 -11.144 1.00 0.00 H new ATOM 0 HB3 LYS A 118 16.175 11.082 -12.744 1.00 0.00 H new ATOM 0 HG2 LYS A 118 15.276 13.253 -11.911 1.00 0.00 H new ATOM 0 HG3 LYS A 118 15.025 12.563 -10.320 1.00 0.00 H new ATOM 0 HD2 LYS A 118 17.494 12.089 -10.141 1.00 0.00 H new ATOM 0 HD3 LYS A 118 17.740 12.794 -11.727 1.00 0.00 H new ATOM 0 HE2 LYS A 118 16.586 14.266 -9.300 1.00 0.00 H new ATOM 0 HE3 LYS A 118 18.219 14.447 -9.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 17.153 16.163 -10.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 16.977 14.949 -12.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 15.681 15.330 -11.118 1.00 0.00 H new ATOM 1893 N LYS A 119 12.703 12.617 -12.695 1.00 0.00 N ATOM 1894 CA LYS A 119 12.066 13.570 -13.597 1.00 0.00 C ATOM 1895 C LYS A 119 11.412 12.847 -14.771 1.00 0.00 C ATOM 1896 O LYS A 119 11.053 13.516 -15.726 1.00 0.00 O ATOM 1897 CB LYS A 119 13.097 14.575 -14.124 1.00 0.00 C ATOM 1898 CG LYS A 119 13.448 15.587 -13.029 1.00 0.00 C ATOM 1899 CD LYS A 119 14.485 16.572 -13.572 1.00 0.00 C ATOM 1900 CE LYS A 119 14.814 17.619 -12.505 1.00 0.00 C ATOM 1901 NZ LYS A 119 15.835 18.565 -13.039 1.00 0.00 N ATOM 1902 OXT LYS A 119 11.279 11.637 -14.697 1.00 0.00 O ATOM 0 H LYS A 119 12.456 12.729 -11.712 1.00 0.00 H new ATOM 0 HA LYS A 119 11.297 14.103 -13.038 1.00 0.00 H new ATOM 0 HB2 LYS A 119 13.996 14.051 -14.448 1.00 0.00 H new ATOM 0 HB3 LYS A 119 12.699 15.094 -14.996 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.553 16.121 -12.710 1.00 0.00 H new ATOM 0 HG3 LYS A 119 13.841 15.072 -12.153 1.00 0.00 H new ATOM 0 HD2 LYS A 119 15.390 16.038 -13.862 1.00 0.00 H new ATOM 0 HD3 LYS A 119 14.102 17.060 -14.468 1.00 0.00 H new ATOM 0 HE2 LYS A 119 13.912 18.162 -12.222 1.00 0.00 H new ATOM 0 HE3 LYS A 119 15.189 17.132 -11.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 16.060 19.277 -12.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 16.698 18.040 -13.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 15.460 19.038 -13.886 1.00 0.00 H new TER 1916 LYS A 119