USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 837 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 83 HIS : no HD1:sc= 0.961 K(o=3,f=-6!) USER MOD Set 1.2: A 85 TYR OH : rot -38:sc= 1.31 USER MOD Set 1.3: A 90 LYS NZ :NH3+ 153:sc= 0.752 (180deg=0.437) USER MOD Set 2.1: A 40 LYS NZ :NH3+ 149:sc= 0.578 (180deg=-0.301) USER MOD Set 2.2: A 61 LYS NZ :NH3+ -167:sc= -0.0546 (180deg=-0.304) USER MOD Single : A 1 GLY N :NH3+ 169:sc= 3.33 (180deg=2.9) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0122 USER MOD Single : A 9 SER OG : rot 14:sc= 0.76 USER MOD Single : A 10 LYS NZ :NH3+ 156:sc= 0.635 (180deg=0.156) USER MOD Single : A 16 GLN : amide:sc= 0.154 K(o=0.15,f=-3.9!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -107:sc= 0.489 (180deg=-1.57) USER MOD Single : A 24 HIS : no HD1:sc= 0.968 K(o=0.97,f=-6.5!) USER MOD Single : A 25 LYS NZ :NH3+ -148:sc= 0.886 (180deg=-0.282) USER MOD Single : A 32 THR OG1 : rot 90:sc= 1.33 USER MOD Single : A 34 THR OG1 : rot -156:sc= 1.31 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 72:sc= 1.22 USER MOD Single : A 50 SER OG : rot -66:sc= 1.75 USER MOD Single : A 51 ASN : amide:sc= 1.15 K(o=1.2,f=0) USER MOD Single : A 53 TYR OH : rot 30:sc= -0.0124 USER MOD Single : A 56 LYS NZ :NH3+ -106:sc= 0.79 (180deg=-0.123) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.308 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 13:sc= 0.635 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 121:sc= 1.01 USER MOD Single : A 99 GLN : amide:sc= -0.0808 X(o=-0.081,f=-0.29) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -173:sc=-0.00293 (180deg=-0.0926) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= 0.328 K(o=0.33,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.508 -12.899 0.141 1.00 0.00 N ATOM 2 CA GLY A 1 -0.247 -11.576 0.721 1.00 0.00 C ATOM 3 C GLY A 1 0.017 -11.627 2.220 1.00 0.00 C ATOM 4 O GLY A 1 0.813 -12.449 2.660 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.861 -12.788 -0.831 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.372 -13.452 0.128 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.220 -13.395 0.714 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.612 -11.129 0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.101 -10.926 0.530 1.00 0.00 H new ATOM 10 N GLY A 2 -0.627 -10.740 2.983 1.00 0.00 N ATOM 11 CA GLY A 2 -0.495 -10.621 4.427 1.00 0.00 C ATOM 12 C GLY A 2 0.008 -9.229 4.809 1.00 0.00 C ATOM 13 O GLY A 2 -0.637 -8.520 5.579 1.00 0.00 O ATOM 0 H GLY A 2 -1.279 -10.061 2.591 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.458 -10.809 4.902 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.196 -11.378 4.798 1.00 0.00 H new ATOM 17 N SER A 3 1.158 -8.826 4.264 1.00 0.00 N ATOM 18 CA SER A 3 1.811 -7.567 4.591 1.00 0.00 C ATOM 19 C SER A 3 1.040 -6.332 4.098 1.00 0.00 C ATOM 20 O SER A 3 1.389 -5.729 3.086 1.00 0.00 O ATOM 21 CB SER A 3 3.233 -7.600 4.022 1.00 0.00 C ATOM 22 OG SER A 3 3.790 -8.892 4.198 1.00 0.00 O ATOM 0 H SER A 3 1.666 -9.378 3.573 1.00 0.00 H new ATOM 0 HA SER A 3 1.837 -7.469 5.676 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.217 -7.342 2.963 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.852 -6.856 4.522 1.00 0.00 H new ATOM 0 HG SER A 3 4.699 -8.909 3.831 1.00 0.00 H new ATOM 28 N VAL A 4 -0.011 -5.963 4.828 1.00 0.00 N ATOM 29 CA VAL A 4 -0.798 -4.760 4.608 1.00 0.00 C ATOM 30 C VAL A 4 -0.214 -3.671 5.507 1.00 0.00 C ATOM 31 O VAL A 4 -0.577 -3.599 6.678 1.00 0.00 O ATOM 32 CB VAL A 4 -2.273 -5.052 4.944 1.00 0.00 C ATOM 33 CG1 VAL A 4 -3.114 -3.772 5.061 1.00 0.00 C ATOM 34 CG2 VAL A 4 -2.871 -5.952 3.859 1.00 0.00 C ATOM 0 H VAL A 4 -0.347 -6.516 5.616 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.761 -4.430 3.570 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.295 -5.548 5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.145 -4.034 5.299 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.708 -3.141 5.852 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -3.086 -3.231 4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.915 -6.161 4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.810 -5.449 2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.315 -6.888 3.816 1.00 0.00 H new ATOM 44 N ILE A 5 0.700 -2.841 4.991 1.00 0.00 N ATOM 45 CA ILE A 5 1.307 -1.769 5.775 1.00 0.00 C ATOM 46 C ILE A 5 1.750 -0.618 4.872 1.00 0.00 C ATOM 47 O ILE A 5 1.774 -0.726 3.644 1.00 0.00 O ATOM 48 CB ILE A 5 2.530 -2.274 6.587 1.00 0.00 C ATOM 49 CG1 ILE A 5 3.584 -2.925 5.671 1.00 0.00 C ATOM 50 CG2 ILE A 5 2.129 -3.255 7.698 1.00 0.00 C ATOM 51 CD1 ILE A 5 4.906 -3.169 6.410 1.00 0.00 C ATOM 0 H ILE A 5 1.034 -2.895 4.029 1.00 0.00 H new ATOM 0 HA ILE A 5 0.545 -1.416 6.471 1.00 0.00 H new ATOM 0 HB ILE A 5 2.966 -1.393 7.058 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.200 -3.871 5.290 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.763 -2.283 4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.020 -3.579 8.236 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.446 -2.762 8.390 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.636 -4.122 7.258 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.623 -3.629 5.730 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.303 -2.219 6.768 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.732 -3.832 7.257 1.00 0.00 H new ATOM 63 N VAL A 6 2.106 0.497 5.510 1.00 0.00 N ATOM 64 CA VAL A 6 2.758 1.620 4.870 1.00 0.00 C ATOM 65 C VAL A 6 4.254 1.311 4.958 1.00 0.00 C ATOM 66 O VAL A 6 4.670 0.638 5.902 1.00 0.00 O ATOM 67 CB VAL A 6 2.366 2.944 5.555 1.00 0.00 C ATOM 68 CG1 VAL A 6 0.840 3.072 5.688 1.00 0.00 C ATOM 69 CG2 VAL A 6 2.989 3.112 6.950 1.00 0.00 C ATOM 0 H VAL A 6 1.942 0.639 6.507 1.00 0.00 H new ATOM 0 HA VAL A 6 2.457 1.751 3.830 1.00 0.00 H new ATOM 0 HB VAL A 6 2.758 3.729 4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.595 4.016 6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.385 3.046 4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.456 2.245 6.286 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.674 4.064 7.377 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.660 2.298 7.596 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.076 3.094 6.868 1.00 0.00 H new ATOM 79 N ILE A 7 5.070 1.750 3.997 1.00 0.00 N ATOM 80 CA ILE A 7 6.488 1.426 4.027 1.00 0.00 C ATOM 81 C ILE A 7 7.302 2.530 3.358 1.00 0.00 C ATOM 82 O ILE A 7 6.791 3.278 2.527 1.00 0.00 O ATOM 83 CB ILE A 7 6.693 0.032 3.396 1.00 0.00 C ATOM 84 CG1 ILE A 7 8.083 -0.558 3.688 1.00 0.00 C ATOM 85 CG2 ILE A 7 6.471 0.070 1.876 1.00 0.00 C ATOM 86 CD1 ILE A 7 8.362 -0.714 5.189 1.00 0.00 C ATOM 0 H ILE A 7 4.776 2.320 3.204 1.00 0.00 H new ATOM 0 HA ILE A 7 6.853 1.375 5.053 1.00 0.00 H new ATOM 0 HB ILE A 7 5.948 -0.615 3.860 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.168 -1.531 3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.845 0.085 3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.623 -0.926 1.461 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.454 0.400 1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.179 0.764 1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.357 -1.135 5.332 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.307 0.261 5.673 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.620 -1.380 5.630 1.00 0.00 H new ATOM 98 N ASP A 8 8.574 2.636 3.740 1.00 0.00 N ATOM 99 CA ASP A 8 9.491 3.673 3.301 1.00 0.00 C ATOM 100 C ASP A 8 10.876 3.099 2.984 1.00 0.00 C ATOM 101 O ASP A 8 11.888 3.744 3.250 1.00 0.00 O ATOM 102 CB ASP A 8 9.582 4.719 4.427 1.00 0.00 C ATOM 103 CG ASP A 8 10.225 4.177 5.708 1.00 0.00 C ATOM 104 OD1 ASP A 8 10.136 2.947 5.930 1.00 0.00 O ATOM 105 OD2 ASP A 8 10.785 5.009 6.452 1.00 0.00 O ATOM 0 H ASP A 8 9.004 1.975 4.387 1.00 0.00 H new ATOM 0 HA ASP A 8 9.122 4.128 2.382 1.00 0.00 H new ATOM 0 HB2 ASP A 8 10.158 5.574 4.073 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.581 5.083 4.657 1.00 0.00 H new ATOM 110 N SER A 9 10.955 1.887 2.423 1.00 0.00 N ATOM 111 CA SER A 9 12.229 1.268 2.067 1.00 0.00 C ATOM 112 C SER A 9 12.043 0.207 0.984 1.00 0.00 C ATOM 113 O SER A 9 11.259 -0.728 1.150 1.00 0.00 O ATOM 114 CB SER A 9 12.868 0.623 3.300 1.00 0.00 C ATOM 115 OG SER A 9 13.367 1.600 4.192 1.00 0.00 O ATOM 0 H SER A 9 10.140 1.313 2.205 1.00 0.00 H new ATOM 0 HA SER A 9 12.882 2.051 1.682 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.131 0.003 3.811 1.00 0.00 H new ATOM 0 HB3 SER A 9 13.679 -0.036 2.989 1.00 0.00 H new ATOM 0 HG SER A 9 13.004 2.478 3.952 1.00 0.00 H new ATOM 121 N LYS A 10 12.816 0.330 -0.100 1.00 0.00 N ATOM 122 CA LYS A 10 12.831 -0.612 -1.209 1.00 0.00 C ATOM 123 C LYS A 10 13.035 -2.039 -0.695 1.00 0.00 C ATOM 124 O LYS A 10 12.345 -2.963 -1.110 1.00 0.00 O ATOM 125 CB LYS A 10 13.961 -0.229 -2.174 1.00 0.00 C ATOM 126 CG LYS A 10 14.069 -1.245 -3.320 1.00 0.00 C ATOM 127 CD LYS A 10 15.055 -0.793 -4.402 1.00 0.00 C ATOM 128 CE LYS A 10 15.412 -1.956 -5.338 1.00 0.00 C ATOM 129 NZ LYS A 10 14.220 -2.674 -5.828 1.00 0.00 N ATOM 0 H LYS A 10 13.462 1.109 -0.227 1.00 0.00 H new ATOM 0 HA LYS A 10 11.875 -0.573 -1.731 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.777 0.766 -2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 10 14.906 -0.182 -1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.387 -2.208 -2.921 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.086 -1.393 -3.766 1.00 0.00 H new ATOM 0 HD2 LYS A 10 14.619 0.023 -4.979 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.961 -0.405 -3.935 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.977 -1.573 -6.188 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.062 -2.655 -4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 14.446 -3.151 -6.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 13.927 -3.381 -5.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 13.446 -1.997 -5.982 1.00 0.00 H new ATOM 143 N ALA A 11 13.993 -2.209 0.218 1.00 0.00 N ATOM 144 CA ALA A 11 14.330 -3.516 0.770 1.00 0.00 C ATOM 145 C ALA A 11 13.073 -4.216 1.296 1.00 0.00 C ATOM 146 O ALA A 11 12.784 -5.358 0.942 1.00 0.00 O ATOM 147 CB ALA A 11 15.368 -3.345 1.884 1.00 0.00 C ATOM 0 H ALA A 11 14.554 -1.444 0.593 1.00 0.00 H new ATOM 0 HA ALA A 11 14.755 -4.141 -0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.621 -4.321 2.298 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.266 -2.879 1.477 1.00 0.00 H new ATOM 0 HB3 ALA A 11 14.957 -2.713 2.671 1.00 0.00 H new ATOM 153 N ALA A 12 12.311 -3.503 2.128 1.00 0.00 N ATOM 154 CA ALA A 12 11.081 -4.013 2.704 1.00 0.00 C ATOM 155 C ALA A 12 10.041 -4.256 1.608 1.00 0.00 C ATOM 156 O ALA A 12 9.274 -5.213 1.690 1.00 0.00 O ATOM 157 CB ALA A 12 10.566 -3.025 3.745 1.00 0.00 C ATOM 0 H ALA A 12 12.538 -2.552 2.418 1.00 0.00 H new ATOM 0 HA ALA A 12 11.274 -4.968 3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.642 -3.404 4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.313 -2.901 4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.375 -2.063 3.270 1.00 0.00 H new ATOM 163 N TRP A 13 9.974 -3.378 0.603 1.00 0.00 N ATOM 164 CA TRP A 13 9.072 -3.547 -0.535 1.00 0.00 C ATOM 165 C TRP A 13 9.354 -4.903 -1.205 1.00 0.00 C ATOM 166 O TRP A 13 8.444 -5.719 -1.360 1.00 0.00 O ATOM 167 CB TRP A 13 9.204 -2.326 -1.476 1.00 0.00 C ATOM 168 CG TRP A 13 9.273 -2.526 -2.967 1.00 0.00 C ATOM 169 CD1 TRP A 13 10.338 -3.002 -3.652 1.00 0.00 C ATOM 170 CD2 TRP A 13 8.329 -2.104 -3.996 1.00 0.00 C ATOM 171 NE1 TRP A 13 10.082 -3.021 -5.002 1.00 0.00 N ATOM 172 CE2 TRP A 13 8.871 -2.430 -5.277 1.00 0.00 C ATOM 173 CE3 TRP A 13 7.089 -1.438 -3.984 1.00 0.00 C ATOM 174 CZ2 TRP A 13 8.209 -2.134 -6.476 1.00 0.00 C ATOM 175 CZ3 TRP A 13 6.462 -1.056 -5.184 1.00 0.00 C ATOM 176 CH2 TRP A 13 6.996 -1.432 -6.428 1.00 0.00 C ATOM 0 H TRP A 13 10.543 -2.533 0.557 1.00 0.00 H new ATOM 0 HA TRP A 13 8.028 -3.575 -0.222 1.00 0.00 H new ATOM 0 HB2 TRP A 13 8.357 -1.670 -1.276 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.103 -1.785 -1.180 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.264 -3.324 -3.199 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.705 -3.419 -5.704 1.00 0.00 H new ATOM 0 HE3 TRP A 13 6.612 -1.217 -3.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 8.627 -2.442 -7.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 5.558 -0.466 -5.149 1.00 0.00 H new ATOM 0 HH2 TRP A 13 6.476 -1.182 -7.341 1.00 0.00 H new ATOM 187 N ASP A 14 10.618 -5.177 -1.547 1.00 0.00 N ATOM 188 CA ASP A 14 10.990 -6.420 -2.215 1.00 0.00 C ATOM 189 C ASP A 14 10.723 -7.610 -1.296 1.00 0.00 C ATOM 190 O ASP A 14 10.165 -8.623 -1.720 1.00 0.00 O ATOM 191 CB ASP A 14 12.463 -6.403 -2.648 1.00 0.00 C ATOM 192 CG ASP A 14 12.749 -5.419 -3.781 1.00 0.00 C ATOM 193 OD1 ASP A 14 12.050 -5.506 -4.814 1.00 0.00 O ATOM 194 OD2 ASP A 14 13.657 -4.579 -3.599 1.00 0.00 O ATOM 0 H ASP A 14 11.401 -4.548 -1.369 1.00 0.00 H new ATOM 0 HA ASP A 14 10.379 -6.516 -3.112 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.084 -6.148 -1.789 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.753 -7.405 -2.965 1.00 0.00 H new ATOM 199 N ALA A 15 11.127 -7.481 -0.030 1.00 0.00 N ATOM 200 CA ALA A 15 10.921 -8.522 0.965 1.00 0.00 C ATOM 201 C ALA A 15 9.446 -8.916 1.010 1.00 0.00 C ATOM 202 O ALA A 15 9.119 -10.098 0.934 1.00 0.00 O ATOM 203 CB ALA A 15 11.410 -8.044 2.335 1.00 0.00 C ATOM 0 H ALA A 15 11.604 -6.653 0.328 1.00 0.00 H new ATOM 0 HA ALA A 15 11.499 -9.404 0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.251 -8.831 3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.473 -7.807 2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.855 -7.153 2.629 1.00 0.00 H new ATOM 209 N GLN A 16 8.564 -7.920 1.124 1.00 0.00 N ATOM 210 CA GLN A 16 7.121 -8.120 1.142 1.00 0.00 C ATOM 211 C GLN A 16 6.668 -8.809 -0.139 1.00 0.00 C ATOM 212 O GLN A 16 5.949 -9.803 -0.062 1.00 0.00 O ATOM 213 CB GLN A 16 6.408 -6.785 1.334 1.00 0.00 C ATOM 214 CG GLN A 16 6.502 -6.404 2.811 1.00 0.00 C ATOM 215 CD GLN A 16 6.021 -4.981 3.026 1.00 0.00 C ATOM 216 OE1 GLN A 16 4.935 -4.752 3.541 1.00 0.00 O ATOM 217 NE2 GLN A 16 6.836 -4.017 2.618 1.00 0.00 N ATOM 0 H GLN A 16 8.840 -6.942 1.207 1.00 0.00 H new ATOM 0 HA GLN A 16 6.861 -8.766 1.981 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.867 -6.016 0.713 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.365 -6.863 1.027 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.902 -7.091 3.408 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.533 -6.501 3.153 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.733 -4.253 2.194 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.566 -3.040 2.729 1.00 0.00 H new ATOM 226 N LEU A 17 7.086 -8.294 -1.301 1.00 0.00 N ATOM 227 CA LEU A 17 6.780 -8.907 -2.592 1.00 0.00 C ATOM 228 C LEU A 17 7.054 -10.412 -2.533 1.00 0.00 C ATOM 229 O LEU A 17 6.202 -11.221 -2.898 1.00 0.00 O ATOM 230 CB LEU A 17 7.622 -8.246 -3.703 1.00 0.00 C ATOM 231 CG LEU A 17 6.793 -7.363 -4.646 1.00 0.00 C ATOM 232 CD1 LEU A 17 6.269 -6.118 -3.927 1.00 0.00 C ATOM 233 CD2 LEU A 17 7.650 -6.926 -5.840 1.00 0.00 C ATOM 0 H LEU A 17 7.644 -7.443 -1.370 1.00 0.00 H new ATOM 0 HA LEU A 17 5.725 -8.754 -2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.405 -7.642 -3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.118 -9.023 -4.285 1.00 0.00 H new ATOM 0 HG LEU A 17 5.942 -7.952 -4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.686 -5.514 -4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.638 -6.419 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.109 -5.532 -3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.055 -6.300 -6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.511 -6.361 -5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.994 -7.807 -6.382 1.00 0.00 H new ATOM 245 N ALA A 18 8.242 -10.780 -2.046 1.00 0.00 N ATOM 246 CA ALA A 18 8.649 -12.171 -1.946 1.00 0.00 C ATOM 247 C ALA A 18 7.806 -12.947 -0.924 1.00 0.00 C ATOM 248 O ALA A 18 7.067 -13.857 -1.303 1.00 0.00 O ATOM 249 CB ALA A 18 10.139 -12.225 -1.601 1.00 0.00 C ATOM 0 H ALA A 18 8.943 -10.118 -1.712 1.00 0.00 H new ATOM 0 HA ALA A 18 8.480 -12.658 -2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.457 -13.265 -1.523 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.712 -11.728 -2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.311 -11.721 -0.650 1.00 0.00 H new ATOM 255 N LYS A 19 7.902 -12.613 0.371 1.00 0.00 N ATOM 256 CA LYS A 19 7.230 -13.380 1.421 1.00 0.00 C ATOM 257 C LYS A 19 5.716 -13.427 1.211 1.00 0.00 C ATOM 258 O LYS A 19 5.076 -14.413 1.567 1.00 0.00 O ATOM 259 CB LYS A 19 7.595 -12.832 2.810 1.00 0.00 C ATOM 260 CG LYS A 19 6.980 -11.462 3.106 1.00 0.00 C ATOM 261 CD LYS A 19 7.364 -10.908 4.484 1.00 0.00 C ATOM 262 CE LYS A 19 8.841 -10.502 4.559 1.00 0.00 C ATOM 263 NZ LYS A 19 9.158 -9.875 5.855 1.00 0.00 N ATOM 0 H LYS A 19 8.439 -11.816 0.713 1.00 0.00 H new ATOM 0 HA LYS A 19 7.585 -14.409 1.362 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.266 -13.541 3.570 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.680 -12.760 2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.296 -10.756 2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.894 -11.538 3.042 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.740 -10.044 4.712 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.157 -11.660 5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.470 -11.380 4.414 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.071 -9.808 3.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.164 -9.611 5.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.574 -9.024 5.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.960 -10.547 6.623 1.00 0.00 H new ATOM 277 N GLY A 20 5.147 -12.373 0.617 1.00 0.00 N ATOM 278 CA GLY A 20 3.729 -12.273 0.329 1.00 0.00 C ATOM 279 C GLY A 20 3.220 -13.451 -0.508 1.00 0.00 C ATOM 280 O GLY A 20 2.024 -13.747 -0.457 1.00 0.00 O ATOM 0 H GLY A 20 5.678 -11.554 0.321 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.173 -12.229 1.265 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.533 -11.342 -0.202 1.00 0.00 H new ATOM 284 N LYS A 21 4.108 -14.103 -1.276 1.00 0.00 N ATOM 285 CA LYS A 21 3.804 -15.250 -2.117 1.00 0.00 C ATOM 286 C LYS A 21 2.770 -14.860 -3.177 1.00 0.00 C ATOM 287 O LYS A 21 1.823 -15.594 -3.460 1.00 0.00 O ATOM 288 CB LYS A 21 3.347 -16.414 -1.222 1.00 0.00 C ATOM 289 CG LYS A 21 3.679 -17.773 -1.845 1.00 0.00 C ATOM 290 CD LYS A 21 4.965 -18.432 -1.315 1.00 0.00 C ATOM 291 CE LYS A 21 6.261 -17.661 -1.604 1.00 0.00 C ATOM 292 NZ LYS A 21 6.472 -16.549 -0.659 1.00 0.00 N ATOM 0 H LYS A 21 5.089 -13.829 -1.323 1.00 0.00 H new ATOM 0 HA LYS A 21 4.689 -15.582 -2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.828 -16.334 -0.247 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.272 -16.344 -1.054 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.843 -18.450 -1.671 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.770 -17.649 -2.924 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.870 -18.561 -0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.049 -19.428 -1.749 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.108 -18.345 -1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.230 -17.270 -2.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.296 -15.645 -1.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.817 -16.646 0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.452 -16.571 -0.310 1.00 0.00 H new ATOM 306 N GLU A 22 2.987 -13.712 -3.818 1.00 0.00 N ATOM 307 CA GLU A 22 2.062 -13.117 -4.769 1.00 0.00 C ATOM 308 C GLU A 22 2.102 -13.759 -6.159 1.00 0.00 C ATOM 309 O GLU A 22 1.926 -13.037 -7.134 1.00 0.00 O ATOM 310 CB GLU A 22 2.392 -11.618 -4.841 1.00 0.00 C ATOM 311 CG GLU A 22 2.226 -10.940 -3.478 1.00 0.00 C ATOM 312 CD GLU A 22 0.773 -11.004 -3.025 1.00 0.00 C ATOM 313 OE1 GLU A 22 -0.020 -10.164 -3.501 1.00 0.00 O ATOM 314 OE2 GLU A 22 0.486 -11.902 -2.207 1.00 0.00 O ATOM 0 H GLU A 22 3.834 -13.160 -3.684 1.00 0.00 H new ATOM 0 HA GLU A 22 1.044 -13.288 -4.420 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.416 -11.486 -5.192 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.741 -11.136 -5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.865 -11.428 -2.742 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.548 -9.901 -3.540 1.00 0.00 H new ATOM 321 N GLU A 23 2.223 -15.094 -6.224 1.00 0.00 N ATOM 322 CA GLU A 23 2.313 -15.951 -7.412 1.00 0.00 C ATOM 323 C GLU A 23 1.892 -15.243 -8.708 1.00 0.00 C ATOM 324 O GLU A 23 2.685 -15.094 -9.634 1.00 0.00 O ATOM 325 CB GLU A 23 1.456 -17.201 -7.149 1.00 0.00 C ATOM 326 CG GLU A 23 1.528 -18.230 -8.288 1.00 0.00 C ATOM 327 CD GLU A 23 0.674 -19.468 -8.015 1.00 0.00 C ATOM 328 OE1 GLU A 23 -0.209 -19.384 -7.132 1.00 0.00 O ATOM 329 OE2 GLU A 23 0.927 -20.486 -8.695 1.00 0.00 O ATOM 0 H GLU A 23 2.264 -15.649 -5.369 1.00 0.00 H new ATOM 0 HA GLU A 23 3.356 -16.223 -7.572 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.784 -17.671 -6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.419 -16.899 -7.004 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.198 -17.763 -9.216 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.565 -18.533 -8.434 1.00 0.00 H new ATOM 336 N HIS A 24 0.622 -14.840 -8.764 1.00 0.00 N ATOM 337 CA HIS A 24 0.007 -14.108 -9.861 1.00 0.00 C ATOM 338 C HIS A 24 -0.984 -13.087 -9.290 1.00 0.00 C ATOM 339 O HIS A 24 -1.919 -12.672 -9.972 1.00 0.00 O ATOM 340 CB HIS A 24 -0.721 -15.122 -10.757 1.00 0.00 C ATOM 341 CG HIS A 24 -1.793 -15.867 -9.996 1.00 0.00 C ATOM 342 ND1 HIS A 24 -1.500 -17.014 -9.256 1.00 0.00 N ATOM 343 CD2 HIS A 24 -3.093 -15.513 -9.756 1.00 0.00 C ATOM 344 CE1 HIS A 24 -2.630 -17.305 -8.605 1.00 0.00 C ATOM 345 NE2 HIS A 24 -3.606 -16.416 -8.849 1.00 0.00 N ATOM 0 H HIS A 24 -0.034 -15.027 -8.006 1.00 0.00 H new ATOM 0 HA HIS A 24 0.757 -13.574 -10.445 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.169 -14.604 -11.605 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.001 -15.833 -11.163 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.620 -14.680 -10.196 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.745 -18.160 -7.955 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -4.542 -16.410 -8.444 1.00 0.00 H new ATOM 353 N LYS A 25 -0.789 -12.696 -8.030 1.00 0.00 N ATOM 354 CA LYS A 25 -1.735 -11.876 -7.285 1.00 0.00 C ATOM 355 C LYS A 25 -1.289 -10.414 -7.247 1.00 0.00 C ATOM 356 O LYS A 25 -0.093 -10.129 -7.356 1.00 0.00 O ATOM 357 CB LYS A 25 -1.886 -12.450 -5.873 1.00 0.00 C ATOM 358 CG LYS A 25 -2.577 -13.817 -5.962 1.00 0.00 C ATOM 359 CD LYS A 25 -2.576 -14.521 -4.603 1.00 0.00 C ATOM 360 CE LYS A 25 -3.231 -15.900 -4.734 1.00 0.00 C ATOM 361 NZ LYS A 25 -4.667 -15.806 -5.052 1.00 0.00 N ATOM 0 H LYS A 25 0.043 -12.945 -7.494 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.703 -11.897 -7.785 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.909 -12.552 -5.401 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.471 -11.772 -5.251 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.603 -13.688 -6.308 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.068 -14.439 -6.698 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.554 -14.626 -4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.115 -13.920 -3.871 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.724 -16.468 -5.514 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.102 -16.452 -3.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.171 -16.608 -4.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.049 -14.916 -4.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.796 -15.828 -6.084 1.00 0.00 H new ATOM 375 N PRO A 26 -2.241 -9.475 -7.112 1.00 0.00 N ATOM 376 CA PRO A 26 -1.928 -8.064 -7.127 1.00 0.00 C ATOM 377 C PRO A 26 -1.207 -7.572 -5.876 1.00 0.00 C ATOM 378 O PRO A 26 -1.600 -7.852 -4.743 1.00 0.00 O ATOM 379 CB PRO A 26 -3.257 -7.332 -7.341 1.00 0.00 C ATOM 380 CG PRO A 26 -4.340 -8.326 -6.927 1.00 0.00 C ATOM 381 CD PRO A 26 -3.682 -9.693 -7.139 1.00 0.00 C ATOM 0 HA PRO A 26 -1.219 -7.860 -7.929 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.307 -6.424 -6.740 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.377 -7.032 -8.382 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.639 -8.183 -5.889 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.238 -8.216 -7.535 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.982 -10.392 -6.358 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.990 -10.127 -8.090 1.00 0.00 H new ATOM 389 N ILE A 27 -0.146 -6.804 -6.122 1.00 0.00 N ATOM 390 CA ILE A 27 0.539 -6.011 -5.129 1.00 0.00 C ATOM 391 C ILE A 27 0.095 -4.604 -5.524 1.00 0.00 C ATOM 392 O ILE A 27 0.304 -4.170 -6.662 1.00 0.00 O ATOM 393 CB ILE A 27 2.062 -6.284 -5.093 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.910 -5.484 -6.085 1.00 0.00 C ATOM 395 CG2 ILE A 27 2.313 -7.776 -5.354 1.00 0.00 C ATOM 396 CD1 ILE A 27 3.301 -4.103 -5.551 1.00 0.00 C ATOM 0 H ILE A 27 0.266 -6.721 -7.052 1.00 0.00 H new ATOM 0 HA ILE A 27 0.293 -6.231 -4.090 1.00 0.00 H new ATOM 0 HB ILE A 27 2.377 -5.962 -4.100 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.813 -6.047 -6.321 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.356 -5.365 -7.016 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.385 -7.974 -5.330 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.817 -8.368 -4.585 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.916 -8.046 -6.333 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.901 -3.581 -6.296 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.401 -3.526 -5.341 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.880 -4.218 -4.635 1.00 0.00 H new ATOM 408 N VAL A 28 -0.629 -3.941 -4.629 1.00 0.00 N ATOM 409 CA VAL A 28 -1.235 -2.653 -4.870 1.00 0.00 C ATOM 410 C VAL A 28 -0.360 -1.625 -4.171 1.00 0.00 C ATOM 411 O VAL A 28 -0.267 -1.614 -2.944 1.00 0.00 O ATOM 412 CB VAL A 28 -2.678 -2.640 -4.337 1.00 0.00 C ATOM 413 CG1 VAL A 28 -3.402 -1.399 -4.870 1.00 0.00 C ATOM 414 CG2 VAL A 28 -3.465 -3.889 -4.761 1.00 0.00 C ATOM 0 H VAL A 28 -0.811 -4.302 -3.692 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.298 -2.426 -5.934 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.625 -2.627 -3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.425 -1.386 -4.495 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.881 -0.502 -4.535 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.415 -1.426 -5.960 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.477 -3.834 -4.361 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.507 -3.941 -5.849 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.970 -4.780 -4.374 1.00 0.00 H new ATOM 424 N VAL A 29 0.325 -0.790 -4.942 1.00 0.00 N ATOM 425 CA VAL A 29 1.164 0.245 -4.380 1.00 0.00 C ATOM 426 C VAL A 29 0.351 1.520 -4.311 1.00 0.00 C ATOM 427 O VAL A 29 -0.342 1.828 -5.279 1.00 0.00 O ATOM 428 CB VAL A 29 2.402 0.519 -5.241 1.00 0.00 C ATOM 429 CG1 VAL A 29 3.444 1.204 -4.346 1.00 0.00 C ATOM 430 CG2 VAL A 29 2.989 -0.747 -5.857 1.00 0.00 C ATOM 0 H VAL A 29 0.312 -0.815 -5.962 1.00 0.00 H new ATOM 0 HA VAL A 29 1.500 -0.087 -3.398 1.00 0.00 H new ATOM 0 HB VAL A 29 2.113 1.154 -6.078 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.341 1.414 -4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.035 2.138 -3.960 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.697 0.547 -3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.863 -0.489 -6.455 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.282 -1.435 -5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.242 -1.223 -6.492 1.00 0.00 H new ATOM 440 N ASP A 30 0.446 2.250 -3.200 1.00 0.00 N ATOM 441 CA ASP A 30 -0.088 3.599 -3.086 1.00 0.00 C ATOM 442 C ASP A 30 1.136 4.497 -2.966 1.00 0.00 C ATOM 443 O ASP A 30 1.634 4.725 -1.863 1.00 0.00 O ATOM 444 CB ASP A 30 -1.044 3.740 -1.894 1.00 0.00 C ATOM 445 CG ASP A 30 -1.482 5.183 -1.649 1.00 0.00 C ATOM 446 OD1 ASP A 30 -1.175 6.047 -2.500 1.00 0.00 O ATOM 447 OD2 ASP A 30 -2.116 5.406 -0.595 1.00 0.00 O ATOM 0 H ASP A 30 0.900 1.916 -2.350 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.696 3.871 -3.949 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.926 3.123 -2.067 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.557 3.356 -0.997 1.00 0.00 H new ATOM 452 N PHE A 31 1.657 4.964 -4.102 1.00 0.00 N ATOM 453 CA PHE A 31 2.803 5.850 -4.094 1.00 0.00 C ATOM 454 C PHE A 31 2.275 7.242 -3.760 1.00 0.00 C ATOM 455 O PHE A 31 1.750 7.940 -4.631 1.00 0.00 O ATOM 456 CB PHE A 31 3.523 5.836 -5.443 1.00 0.00 C ATOM 457 CG PHE A 31 4.248 4.549 -5.789 1.00 0.00 C ATOM 458 CD1 PHE A 31 5.578 4.371 -5.361 1.00 0.00 C ATOM 459 CD2 PHE A 31 3.703 3.669 -6.743 1.00 0.00 C ATOM 460 CE1 PHE A 31 6.378 3.369 -5.936 1.00 0.00 C ATOM 461 CE2 PHE A 31 4.504 2.663 -7.312 1.00 0.00 C ATOM 462 CZ PHE A 31 5.852 2.536 -6.940 1.00 0.00 C ATOM 0 H PHE A 31 1.300 4.740 -5.031 1.00 0.00 H new ATOM 0 HA PHE A 31 3.538 5.528 -3.356 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.793 6.042 -6.226 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.245 6.653 -5.457 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.984 5.007 -4.588 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.669 3.767 -7.038 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.398 3.238 -5.607 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.081 1.985 -8.038 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.482 1.803 -7.422 1.00 0.00 H new ATOM 472 N THR A 32 2.411 7.617 -2.489 1.00 0.00 N ATOM 473 CA THR A 32 2.010 8.897 -1.934 1.00 0.00 C ATOM 474 C THR A 32 3.144 9.367 -1.023 1.00 0.00 C ATOM 475 O THR A 32 3.899 8.545 -0.510 1.00 0.00 O ATOM 476 CB THR A 32 0.665 8.727 -1.209 1.00 0.00 C ATOM 477 OG1 THR A 32 -0.353 8.578 -2.172 1.00 0.00 O ATOM 478 CG2 THR A 32 0.292 9.937 -0.351 1.00 0.00 C ATOM 0 H THR A 32 2.825 7.002 -1.789 1.00 0.00 H new ATOM 0 HA THR A 32 1.851 9.659 -2.697 1.00 0.00 H new ATOM 0 HB THR A 32 0.765 7.857 -0.560 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.469 7.628 -2.381 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.667 9.757 0.135 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.059 10.096 0.407 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.218 10.822 -0.983 1.00 0.00 H new ATOM 486 N ALA A 33 3.300 10.684 -0.864 1.00 0.00 N ATOM 487 CA ALA A 33 4.350 11.288 -0.054 1.00 0.00 C ATOM 488 C ALA A 33 3.825 11.672 1.333 1.00 0.00 C ATOM 489 O ALA A 33 2.666 11.432 1.669 1.00 0.00 O ATOM 490 CB ALA A 33 4.876 12.522 -0.797 1.00 0.00 C ATOM 0 H ALA A 33 2.686 11.369 -1.305 1.00 0.00 H new ATOM 0 HA ALA A 33 5.156 10.570 0.097 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.664 12.992 -0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.276 12.221 -1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.062 13.232 -0.946 1.00 0.00 H new ATOM 496 N THR A 34 4.700 12.257 2.150 1.00 0.00 N ATOM 497 CA THR A 34 4.398 12.812 3.456 1.00 0.00 C ATOM 498 C THR A 34 3.714 14.156 3.218 1.00 0.00 C ATOM 499 O THR A 34 2.552 14.365 3.563 1.00 0.00 O ATOM 500 CB THR A 34 5.735 12.973 4.191 1.00 0.00 C ATOM 501 OG1 THR A 34 6.681 13.485 3.261 1.00 0.00 O ATOM 502 CG2 THR A 34 6.204 11.611 4.707 1.00 0.00 C ATOM 0 H THR A 34 5.684 12.358 1.901 1.00 0.00 H new ATOM 0 HA THR A 34 3.740 12.184 4.057 1.00 0.00 H new ATOM 0 HB THR A 34 5.628 13.650 5.039 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.587 13.254 3.555 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.154 11.727 5.229 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.460 11.206 5.393 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.333 10.928 3.867 1.00 0.00 H new ATOM 510 N TRP A 35 4.478 15.060 2.608 1.00 0.00 N ATOM 511 CA TRP A 35 4.020 16.364 2.169 1.00 0.00 C ATOM 512 C TRP A 35 2.907 16.172 1.133 1.00 0.00 C ATOM 513 O TRP A 35 2.924 15.199 0.383 1.00 0.00 O ATOM 514 CB TRP A 35 5.206 17.147 1.587 1.00 0.00 C ATOM 515 CG TRP A 35 6.103 16.385 0.651 1.00 0.00 C ATOM 516 CD1 TRP A 35 7.270 15.797 0.998 1.00 0.00 C ATOM 517 CD2 TRP A 35 5.909 16.069 -0.762 1.00 0.00 C ATOM 518 NE1 TRP A 35 7.811 15.141 -0.085 1.00 0.00 N ATOM 519 CE2 TRP A 35 7.005 15.264 -1.198 1.00 0.00 C ATOM 520 CE3 TRP A 35 4.916 16.369 -1.718 1.00 0.00 C ATOM 521 CZ2 TRP A 35 7.099 14.770 -2.508 1.00 0.00 C ATOM 522 CZ3 TRP A 35 4.998 15.875 -3.033 1.00 0.00 C ATOM 523 CH2 TRP A 35 6.082 15.071 -3.427 1.00 0.00 C ATOM 0 H TRP A 35 5.463 14.894 2.402 1.00 0.00 H new ATOM 0 HA TRP A 35 3.618 16.936 3.005 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.817 18.017 1.058 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.810 17.521 2.414 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.714 15.836 1.982 1.00 0.00 H new ATOM 0 HE1 TRP A 35 8.694 14.630 -0.067 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.078 16.989 -1.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 7.943 14.166 -2.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 4.222 16.115 -3.745 1.00 0.00 H new ATOM 0 HH2 TRP A 35 6.132 14.686 -4.435 1.00 0.00 H new ATOM 534 N CYS A 36 1.952 17.110 1.119 1.00 0.00 N ATOM 535 CA CYS A 36 0.760 17.207 0.270 1.00 0.00 C ATOM 536 C CYS A 36 -0.412 17.605 1.158 1.00 0.00 C ATOM 537 O CYS A 36 -1.020 18.653 0.962 1.00 0.00 O ATOM 538 CB CYS A 36 0.404 15.916 -0.479 1.00 0.00 C ATOM 539 SG CYS A 36 -1.246 15.971 -1.219 1.00 0.00 S ATOM 0 H CYS A 36 2.000 17.897 1.766 1.00 0.00 H new ATOM 0 HA CYS A 36 0.976 17.947 -0.501 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.143 15.739 -1.261 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.461 15.073 0.210 1.00 0.00 H new ATOM 544 N GLY A 37 -0.698 16.765 2.153 1.00 0.00 N ATOM 545 CA GLY A 37 -1.774 16.953 3.115 1.00 0.00 C ATOM 546 C GLY A 37 -2.961 16.057 2.754 1.00 0.00 C ATOM 547 O GLY A 37 -2.955 14.899 3.170 1.00 0.00 O ATOM 0 H GLY A 37 -0.168 15.909 2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.421 16.716 4.119 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.086 17.997 3.125 1.00 0.00 H new ATOM 551 N PRO A 38 -3.958 16.531 1.980 1.00 0.00 N ATOM 552 CA PRO A 38 -5.140 15.757 1.606 1.00 0.00 C ATOM 553 C PRO A 38 -4.819 14.333 1.156 1.00 0.00 C ATOM 554 O PRO A 38 -5.518 13.397 1.530 1.00 0.00 O ATOM 555 CB PRO A 38 -5.826 16.557 0.497 1.00 0.00 C ATOM 556 CG PRO A 38 -5.477 17.994 0.874 1.00 0.00 C ATOM 557 CD PRO A 38 -4.046 17.863 1.393 1.00 0.00 C ATOM 0 HA PRO A 38 -5.787 15.621 2.472 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.448 16.292 -0.490 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.903 16.390 0.481 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.538 18.664 0.017 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.150 18.388 1.635 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.324 17.983 0.585 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.826 18.632 2.133 1.00 0.00 H new ATOM 565 N CYS A 39 -3.743 14.175 0.381 1.00 0.00 N ATOM 566 CA CYS A 39 -3.258 12.887 -0.113 1.00 0.00 C ATOM 567 C CYS A 39 -3.265 11.836 1.002 1.00 0.00 C ATOM 568 O CYS A 39 -3.674 10.692 0.803 1.00 0.00 O ATOM 569 CB CYS A 39 -1.817 13.009 -0.628 1.00 0.00 C ATOM 570 SG CYS A 39 -1.471 14.076 -2.047 1.00 0.00 S ATOM 0 H CYS A 39 -3.171 14.961 0.072 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.924 12.584 -0.920 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.201 13.357 0.201 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.474 12.006 -0.881 1.00 0.00 H new ATOM 575 N LYS A 40 -2.807 12.234 2.192 1.00 0.00 N ATOM 576 CA LYS A 40 -2.683 11.356 3.340 1.00 0.00 C ATOM 577 C LYS A 40 -4.030 10.735 3.723 1.00 0.00 C ATOM 578 O LYS A 40 -4.072 9.586 4.149 1.00 0.00 O ATOM 579 CB LYS A 40 -2.077 12.163 4.502 1.00 0.00 C ATOM 580 CG LYS A 40 -1.512 11.308 5.645 1.00 0.00 C ATOM 581 CD LYS A 40 -0.375 10.355 5.238 1.00 0.00 C ATOM 582 CE LYS A 40 0.764 11.058 4.483 1.00 0.00 C ATOM 583 NZ LYS A 40 1.880 10.136 4.221 1.00 0.00 N ATOM 0 H LYS A 40 -2.510 13.192 2.379 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.026 10.522 3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.281 12.796 4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.843 12.826 4.905 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.148 11.971 6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.323 10.720 6.075 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.029 9.880 6.132 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.782 9.561 4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.388 11.454 3.540 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.120 11.907 5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.352 10.406 3.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.561 10.184 5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.516 9.165 4.138 1.00 0.00 H new ATOM 597 N MET A 41 -5.134 11.464 3.543 1.00 0.00 N ATOM 598 CA MET A 41 -6.471 11.011 3.915 1.00 0.00 C ATOM 599 C MET A 41 -6.925 9.808 3.091 1.00 0.00 C ATOM 600 O MET A 41 -7.832 9.095 3.516 1.00 0.00 O ATOM 601 CB MET A 41 -7.467 12.170 3.779 1.00 0.00 C ATOM 602 CG MET A 41 -7.059 13.392 4.614 1.00 0.00 C ATOM 603 SD MET A 41 -8.176 14.808 4.462 1.00 0.00 S ATOM 604 CE MET A 41 -7.343 15.969 5.566 1.00 0.00 C ATOM 0 H MET A 41 -5.121 12.396 3.130 1.00 0.00 H new ATOM 0 HA MET A 41 -6.435 10.684 4.954 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.544 12.459 2.731 1.00 0.00 H new ATOM 0 HB3 MET A 41 -8.456 11.834 4.090 1.00 0.00 H new ATOM 0 HG2 MET A 41 -7.004 13.099 5.662 1.00 0.00 H new ATOM 0 HG3 MET A 41 -6.057 13.702 4.317 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.899 16.906 5.595 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.294 15.546 6.569 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.333 16.157 5.202 1.00 0.00 H new ATOM 614 N ILE A 42 -6.309 9.546 1.936 1.00 0.00 N ATOM 615 CA ILE A 42 -6.679 8.372 1.163 1.00 0.00 C ATOM 616 C ILE A 42 -6.053 7.133 1.821 1.00 0.00 C ATOM 617 O ILE A 42 -6.600 6.037 1.712 1.00 0.00 O ATOM 618 CB ILE A 42 -6.270 8.541 -0.311 1.00 0.00 C ATOM 619 CG1 ILE A 42 -7.098 9.617 -1.042 1.00 0.00 C ATOM 620 CG2 ILE A 42 -6.515 7.221 -1.050 1.00 0.00 C ATOM 621 CD1 ILE A 42 -6.858 11.051 -0.569 1.00 0.00 C ATOM 0 H ILE A 42 -5.570 10.119 1.528 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.761 8.243 1.160 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.221 8.839 -0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.878 9.561 -2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -8.156 9.383 -0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.228 7.331 -2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.920 6.431 -0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.572 6.961 -0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.485 11.733 -1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.107 11.132 0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.810 11.312 -0.716 1.00 0.00 H new ATOM 633 N ALA A 43 -4.926 7.290 2.527 1.00 0.00 N ATOM 634 CA ALA A 43 -4.237 6.184 3.182 1.00 0.00 C ATOM 635 C ALA A 43 -5.184 5.326 4.039 1.00 0.00 C ATOM 636 O ALA A 43 -5.265 4.131 3.771 1.00 0.00 O ATOM 637 CB ALA A 43 -3.041 6.692 3.994 1.00 0.00 C ATOM 0 H ALA A 43 -4.469 8.193 2.657 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.859 5.529 2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.543 5.850 4.474 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.340 7.199 3.331 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.389 7.390 4.756 1.00 0.00 H new ATOM 643 N PRO A 44 -5.921 5.857 5.036 1.00 0.00 N ATOM 644 CA PRO A 44 -6.830 5.045 5.834 1.00 0.00 C ATOM 645 C PRO A 44 -7.873 4.335 4.970 1.00 0.00 C ATOM 646 O PRO A 44 -8.170 3.166 5.209 1.00 0.00 O ATOM 647 CB PRO A 44 -7.467 5.982 6.864 1.00 0.00 C ATOM 648 CG PRO A 44 -7.270 7.371 6.263 1.00 0.00 C ATOM 649 CD PRO A 44 -5.939 7.223 5.528 1.00 0.00 C ATOM 0 HA PRO A 44 -6.290 4.242 6.335 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.523 5.756 7.011 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.984 5.895 7.837 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.081 7.640 5.586 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.227 8.144 7.031 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.861 7.937 4.708 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.098 7.411 6.196 1.00 0.00 H new ATOM 657 N LEU A 45 -8.427 5.018 3.963 1.00 0.00 N ATOM 658 CA LEU A 45 -9.406 4.398 3.068 1.00 0.00 C ATOM 659 C LEU A 45 -8.779 3.171 2.395 1.00 0.00 C ATOM 660 O LEU A 45 -9.330 2.068 2.414 1.00 0.00 O ATOM 661 CB LEU A 45 -9.882 5.393 1.996 1.00 0.00 C ATOM 662 CG LEU A 45 -10.566 6.653 2.551 1.00 0.00 C ATOM 663 CD1 LEU A 45 -11.001 7.547 1.386 1.00 0.00 C ATOM 664 CD2 LEU A 45 -11.788 6.321 3.416 1.00 0.00 C ATOM 0 H LEU A 45 -8.216 5.993 3.749 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.270 4.094 3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.025 5.696 1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.576 4.883 1.328 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.843 7.167 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.487 8.442 1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.127 7.834 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.700 7.003 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.235 7.245 3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.519 5.776 2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.479 5.706 4.261 1.00 0.00 H new ATOM 676 N PHE A 46 -7.604 3.383 1.805 1.00 0.00 N ATOM 677 CA PHE A 46 -6.831 2.356 1.134 1.00 0.00 C ATOM 678 C PHE A 46 -6.549 1.203 2.101 1.00 0.00 C ATOM 679 O PHE A 46 -6.808 0.052 1.767 1.00 0.00 O ATOM 680 CB PHE A 46 -5.557 3.004 0.587 1.00 0.00 C ATOM 681 CG PHE A 46 -4.573 2.061 -0.072 1.00 0.00 C ATOM 682 CD1 PHE A 46 -4.779 1.667 -1.402 1.00 0.00 C ATOM 683 CD2 PHE A 46 -3.389 1.686 0.590 1.00 0.00 C ATOM 684 CE1 PHE A 46 -3.793 0.933 -2.082 1.00 0.00 C ATOM 685 CE2 PHE A 46 -2.402 0.947 -0.087 1.00 0.00 C ATOM 686 CZ PHE A 46 -2.595 0.588 -1.432 1.00 0.00 C ATOM 0 H PHE A 46 -7.157 4.300 1.783 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.380 1.926 0.297 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.842 3.767 -0.137 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.050 3.515 1.406 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.698 1.929 -1.905 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.238 1.967 1.622 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.956 0.633 -3.107 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.497 0.656 0.426 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.826 0.049 -1.965 1.00 0.00 H new ATOM 696 N GLU A 47 -6.065 1.494 3.310 1.00 0.00 N ATOM 697 CA GLU A 47 -5.777 0.496 4.329 1.00 0.00 C ATOM 698 C GLU A 47 -7.045 -0.288 4.698 1.00 0.00 C ATOM 699 O GLU A 47 -6.993 -1.507 4.867 1.00 0.00 O ATOM 700 CB GLU A 47 -5.164 1.192 5.548 1.00 0.00 C ATOM 701 CG GLU A 47 -3.737 1.671 5.238 1.00 0.00 C ATOM 702 CD GLU A 47 -3.189 2.572 6.340 1.00 0.00 C ATOM 703 OE1 GLU A 47 -3.496 3.783 6.290 1.00 0.00 O ATOM 704 OE2 GLU A 47 -2.472 2.034 7.211 1.00 0.00 O ATOM 0 H GLU A 47 -5.860 2.448 3.609 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.060 -0.228 3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.783 2.041 5.838 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.147 0.506 6.395 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.083 0.808 5.115 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.733 2.211 4.291 1.00 0.00 H new ATOM 711 N THR A 48 -8.190 0.391 4.820 1.00 0.00 N ATOM 712 CA THR A 48 -9.451 -0.282 5.111 1.00 0.00 C ATOM 713 C THR A 48 -9.705 -1.327 4.020 1.00 0.00 C ATOM 714 O THR A 48 -9.934 -2.494 4.326 1.00 0.00 O ATOM 715 CB THR A 48 -10.598 0.735 5.221 1.00 0.00 C ATOM 716 OG1 THR A 48 -10.287 1.700 6.205 1.00 0.00 O ATOM 717 CG2 THR A 48 -11.904 0.053 5.639 1.00 0.00 C ATOM 0 H THR A 48 -8.265 1.403 4.721 1.00 0.00 H new ATOM 0 HA THR A 48 -9.396 -0.788 6.075 1.00 0.00 H new ATOM 0 HB THR A 48 -10.722 1.197 4.242 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.578 2.290 5.873 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.697 0.797 5.709 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.176 -0.698 4.898 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.770 -0.426 6.609 1.00 0.00 H new ATOM 725 N LEU A 49 -9.612 -0.927 2.746 1.00 0.00 N ATOM 726 CA LEU A 49 -9.770 -1.866 1.639 1.00 0.00 C ATOM 727 C LEU A 49 -8.738 -2.987 1.746 1.00 0.00 C ATOM 728 O LEU A 49 -9.058 -4.162 1.576 1.00 0.00 O ATOM 729 CB LEU A 49 -9.597 -1.123 0.309 1.00 0.00 C ATOM 730 CG LEU A 49 -9.947 -1.978 -0.912 1.00 0.00 C ATOM 731 CD1 LEU A 49 -11.463 -2.199 -1.006 1.00 0.00 C ATOM 732 CD2 LEU A 49 -9.412 -1.272 -2.159 1.00 0.00 C ATOM 0 H LEU A 49 -9.429 0.035 2.462 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.767 -2.304 1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.226 -0.233 0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.565 -0.783 0.222 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.487 -2.962 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.688 -2.809 -1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.813 -2.709 -0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.966 -1.236 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.650 -1.864 -3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.873 -0.288 -2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.331 -1.160 -2.078 1.00 0.00 H new ATOM 744 N SER A 50 -7.489 -2.616 2.034 1.00 0.00 N ATOM 745 CA SER A 50 -6.382 -3.549 2.117 1.00 0.00 C ATOM 746 C SER A 50 -6.720 -4.724 3.026 1.00 0.00 C ATOM 747 O SER A 50 -6.491 -5.877 2.664 1.00 0.00 O ATOM 748 CB SER A 50 -5.112 -2.855 2.610 1.00 0.00 C ATOM 749 OG SER A 50 -4.752 -1.732 1.832 1.00 0.00 O ATOM 0 H SER A 50 -7.223 -1.648 2.217 1.00 0.00 H new ATOM 0 HA SER A 50 -6.202 -3.929 1.112 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.256 -2.541 3.644 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.290 -3.571 2.605 1.00 0.00 H new ATOM 0 HG SER A 50 -4.497 -2.025 0.932 1.00 0.00 H new ATOM 755 N ASN A 51 -7.286 -4.428 4.200 1.00 0.00 N ATOM 756 CA ASN A 51 -7.664 -5.448 5.173 1.00 0.00 C ATOM 757 C ASN A 51 -8.576 -6.517 4.555 1.00 0.00 C ATOM 758 O ASN A 51 -8.520 -7.668 4.979 1.00 0.00 O ATOM 759 CB ASN A 51 -8.347 -4.811 6.392 1.00 0.00 C ATOM 760 CG ASN A 51 -7.335 -4.278 7.404 1.00 0.00 C ATOM 761 OD1 ASN A 51 -7.082 -4.910 8.424 1.00 0.00 O ATOM 762 ND2 ASN A 51 -6.738 -3.119 7.150 1.00 0.00 N ATOM 0 H ASN A 51 -7.493 -3.475 4.499 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.746 -5.939 5.497 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.992 -3.997 6.061 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.988 -5.549 6.875 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.057 -2.741 7.808 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.961 -2.607 6.296 1.00 0.00 H new ATOM 769 N ASP A 52 -9.395 -6.166 3.557 1.00 0.00 N ATOM 770 CA ASP A 52 -10.322 -7.113 2.948 1.00 0.00 C ATOM 771 C ASP A 52 -9.574 -8.195 2.165 1.00 0.00 C ATOM 772 O ASP A 52 -9.818 -9.384 2.354 1.00 0.00 O ATOM 773 CB ASP A 52 -11.299 -6.388 2.007 1.00 0.00 C ATOM 774 CG ASP A 52 -12.130 -5.308 2.696 1.00 0.00 C ATOM 775 OD1 ASP A 52 -12.518 -5.534 3.863 1.00 0.00 O ATOM 776 OD2 ASP A 52 -12.385 -4.281 2.031 1.00 0.00 O ATOM 0 H ASP A 52 -9.431 -5.229 3.156 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.881 -7.586 3.755 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.735 -5.935 1.192 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.971 -7.121 1.561 1.00 0.00 H new ATOM 781 N TYR A 53 -8.680 -7.784 1.260 1.00 0.00 N ATOM 782 CA TYR A 53 -7.975 -8.700 0.370 1.00 0.00 C ATOM 783 C TYR A 53 -6.640 -9.199 0.946 1.00 0.00 C ATOM 784 O TYR A 53 -6.072 -10.152 0.408 1.00 0.00 O ATOM 785 CB TYR A 53 -7.778 -8.003 -0.969 1.00 0.00 C ATOM 786 CG TYR A 53 -9.025 -7.467 -1.635 1.00 0.00 C ATOM 787 CD1 TYR A 53 -9.397 -6.127 -1.429 1.00 0.00 C ATOM 788 CD2 TYR A 53 -9.693 -8.238 -2.601 1.00 0.00 C ATOM 789 CE1 TYR A 53 -10.449 -5.571 -2.170 1.00 0.00 C ATOM 790 CE2 TYR A 53 -10.742 -7.675 -3.347 1.00 0.00 C ATOM 791 CZ TYR A 53 -11.152 -6.356 -3.096 1.00 0.00 C ATOM 792 OH TYR A 53 -12.205 -5.826 -3.778 1.00 0.00 O ATOM 0 H TYR A 53 -8.427 -6.805 1.127 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.582 -9.597 0.246 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.084 -7.175 -0.825 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.299 -8.704 -1.653 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -8.873 -5.526 -0.700 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -9.400 -9.264 -2.770 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -10.719 -4.535 -2.028 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -11.233 -8.257 -4.113 1.00 0.00 H new ATOM 0 HH TYR A 53 -12.066 -4.863 -3.897 1.00 0.00 H new ATOM 802 N ALA A 54 -6.156 -8.553 2.016 1.00 0.00 N ATOM 803 CA ALA A 54 -4.919 -8.791 2.757 1.00 0.00 C ATOM 804 C ALA A 54 -4.288 -10.169 2.567 1.00 0.00 C ATOM 805 O ALA A 54 -3.145 -10.283 2.132 1.00 0.00 O ATOM 806 CB ALA A 54 -5.203 -8.577 4.249 1.00 0.00 C ATOM 0 H ALA A 54 -6.676 -7.774 2.421 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.192 -8.086 2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.292 -8.750 4.821 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.545 -7.555 4.411 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.975 -9.274 4.576 1.00 0.00 H new ATOM 812 N GLY A 55 -5.013 -11.217 2.954 1.00 0.00 N ATOM 813 CA GLY A 55 -4.532 -12.588 2.898 1.00 0.00 C ATOM 814 C GLY A 55 -3.958 -12.933 1.525 1.00 0.00 C ATOM 815 O GLY A 55 -2.855 -13.477 1.419 1.00 0.00 O ATOM 0 H GLY A 55 -5.962 -11.132 3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.766 -12.736 3.659 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.350 -13.270 3.132 1.00 0.00 H new ATOM 819 N LYS A 56 -4.693 -12.597 0.466 1.00 0.00 N ATOM 820 CA LYS A 56 -4.302 -12.893 -0.900 1.00 0.00 C ATOM 821 C LYS A 56 -3.395 -11.791 -1.448 1.00 0.00 C ATOM 822 O LYS A 56 -2.248 -12.050 -1.808 1.00 0.00 O ATOM 823 CB LYS A 56 -5.561 -13.016 -1.776 1.00 0.00 C ATOM 824 CG LYS A 56 -6.470 -14.186 -1.381 1.00 0.00 C ATOM 825 CD LYS A 56 -7.853 -14.121 -2.056 1.00 0.00 C ATOM 826 CE LYS A 56 -7.828 -14.287 -3.584 1.00 0.00 C ATOM 827 NZ LYS A 56 -7.515 -13.037 -4.301 1.00 0.00 N ATOM 0 H LYS A 56 -5.585 -12.107 0.539 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.752 -13.834 -0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.129 -12.088 -1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.259 -13.136 -2.817 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.984 -15.124 -1.648 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.599 -14.191 -0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.488 -14.898 -1.630 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.316 -13.164 -1.815 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.090 -15.044 -3.848 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.797 -14.657 -3.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.380 -12.665 -4.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.140 -12.336 -3.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.804 -13.227 -5.036 1.00 0.00 H new ATOM 841 N VAL A 57 -3.930 -10.572 -1.487 1.00 0.00 N ATOM 842 CA VAL A 57 -3.388 -9.385 -2.144 1.00 0.00 C ATOM 843 C VAL A 57 -2.439 -8.587 -1.242 1.00 0.00 C ATOM 844 O VAL A 57 -2.657 -8.523 -0.034 1.00 0.00 O ATOM 845 CB VAL A 57 -4.623 -8.554 -2.528 1.00 0.00 C ATOM 846 CG1 VAL A 57 -4.343 -7.182 -3.136 1.00 0.00 C ATOM 847 CG2 VAL A 57 -5.527 -9.348 -3.484 1.00 0.00 C ATOM 0 H VAL A 57 -4.818 -10.374 -1.027 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.780 -9.657 -3.007 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.116 -8.358 -1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.286 -6.687 -3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.780 -6.577 -2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.762 -7.301 -4.051 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.397 -8.746 -3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.971 -9.596 -4.388 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.855 -10.266 -2.996 1.00 0.00 H new ATOM 857 N ILE A 58 -1.404 -7.957 -1.814 1.00 0.00 N ATOM 858 CA ILE A 58 -0.470 -7.121 -1.045 1.00 0.00 C ATOM 859 C ILE A 58 -0.855 -5.651 -1.220 1.00 0.00 C ATOM 860 O ILE A 58 -1.318 -5.265 -2.288 1.00 0.00 O ATOM 861 CB ILE A 58 0.982 -7.409 -1.488 1.00 0.00 C ATOM 862 CG1 ILE A 58 1.509 -8.673 -0.799 1.00 0.00 C ATOM 863 CG2 ILE A 58 1.940 -6.242 -1.223 1.00 0.00 C ATOM 864 CD1 ILE A 58 1.908 -8.511 0.673 1.00 0.00 C ATOM 0 H ILE A 58 -1.191 -8.010 -2.810 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.531 -7.358 0.017 1.00 0.00 H new ATOM 0 HB ILE A 58 0.948 -7.555 -2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.744 -9.447 -0.866 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.376 -9.033 -1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.942 -6.511 -1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.600 -5.361 -1.767 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.960 -6.023 -0.155 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.266 -9.465 1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.699 -7.766 0.756 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.043 -8.187 1.251 1.00 0.00 H new ATOM 876 N PHE A 59 -0.649 -4.827 -0.183 1.00 0.00 N ATOM 877 CA PHE A 59 -0.935 -3.396 -0.210 1.00 0.00 C ATOM 878 C PHE A 59 0.236 -2.659 0.421 1.00 0.00 C ATOM 879 O PHE A 59 0.472 -2.805 1.620 1.00 0.00 O ATOM 880 CB PHE A 59 -2.224 -3.084 0.539 1.00 0.00 C ATOM 881 CG PHE A 59 -3.447 -3.663 -0.131 1.00 0.00 C ATOM 882 CD1 PHE A 59 -3.790 -5.005 0.093 1.00 0.00 C ATOM 883 CD2 PHE A 59 -4.259 -2.857 -0.950 1.00 0.00 C ATOM 884 CE1 PHE A 59 -4.967 -5.525 -0.452 1.00 0.00 C ATOM 885 CE2 PHE A 59 -5.421 -3.389 -1.529 1.00 0.00 C ATOM 886 CZ PHE A 59 -5.783 -4.722 -1.273 1.00 0.00 C ATOM 0 H PHE A 59 -0.273 -5.147 0.710 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.069 -3.071 -1.242 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.152 -3.475 1.554 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.338 -2.003 0.621 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.145 -5.636 0.686 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.988 -1.828 -1.133 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.252 -6.546 -0.243 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.036 -2.775 -2.170 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.685 -5.130 -1.705 1.00 0.00 H new ATOM 896 N LEU A 60 0.952 -1.876 -0.389 1.00 0.00 N ATOM 897 CA LEU A 60 2.156 -1.165 0.006 1.00 0.00 C ATOM 898 C LEU A 60 1.994 0.344 -0.183 1.00 0.00 C ATOM 899 O LEU A 60 2.114 0.841 -1.305 1.00 0.00 O ATOM 900 CB LEU A 60 3.322 -1.661 -0.865 1.00 0.00 C ATOM 901 CG LEU A 60 3.645 -3.156 -0.739 1.00 0.00 C ATOM 902 CD1 LEU A 60 4.900 -3.469 -1.561 1.00 0.00 C ATOM 903 CD2 LEU A 60 3.866 -3.619 0.703 1.00 0.00 C ATOM 0 H LEU A 60 0.698 -1.719 -1.364 1.00 0.00 H new ATOM 0 HA LEU A 60 2.349 -1.357 1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.093 -1.442 -1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.214 -1.090 -0.608 1.00 0.00 H new ATOM 0 HG LEU A 60 2.775 -3.696 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.135 -4.530 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.721 -3.220 -2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.737 -2.880 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.090 -4.686 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.701 -3.069 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.965 -3.432 1.287 1.00 0.00 H new ATOM 915 N LYS A 61 1.734 1.104 0.884 1.00 0.00 N ATOM 916 CA LYS A 61 1.769 2.554 0.728 1.00 0.00 C ATOM 917 C LYS A 61 3.246 2.941 0.774 1.00 0.00 C ATOM 918 O LYS A 61 3.812 3.101 1.854 1.00 0.00 O ATOM 919 CB LYS A 61 0.941 3.292 1.785 1.00 0.00 C ATOM 920 CG LYS A 61 0.941 4.798 1.483 1.00 0.00 C ATOM 921 CD LYS A 61 0.397 5.599 2.669 1.00 0.00 C ATOM 922 CE LYS A 61 0.410 7.104 2.377 1.00 0.00 C ATOM 923 NZ LYS A 61 1.765 7.601 2.062 1.00 0.00 N ATOM 0 H LYS A 61 1.508 0.761 1.818 1.00 0.00 H new ATOM 0 HA LYS A 61 1.310 2.849 -0.215 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.081 2.912 1.791 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.354 3.110 2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.955 5.126 1.253 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.335 4.995 0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.621 5.278 2.891 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.997 5.393 3.556 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.256 7.316 1.540 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.019 7.643 3.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.768 8.641 2.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.441 7.234 2.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.041 7.278 1.113 1.00 0.00 H new ATOM 937 N VAL A 62 3.876 3.058 -0.396 1.00 0.00 N ATOM 938 CA VAL A 62 5.278 3.422 -0.495 1.00 0.00 C ATOM 939 C VAL A 62 5.393 4.930 -0.319 1.00 0.00 C ATOM 940 O VAL A 62 4.852 5.693 -1.122 1.00 0.00 O ATOM 941 CB VAL A 62 5.859 2.968 -1.844 1.00 0.00 C ATOM 942 CG1 VAL A 62 7.248 3.571 -2.103 1.00 0.00 C ATOM 943 CG2 VAL A 62 6.008 1.445 -1.840 1.00 0.00 C ATOM 0 H VAL A 62 3.424 2.902 -1.297 1.00 0.00 H new ATOM 0 HA VAL A 62 5.854 2.923 0.284 1.00 0.00 H new ATOM 0 HB VAL A 62 5.176 3.305 -2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.621 3.224 -3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.177 4.659 -2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.933 3.259 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.420 1.117 -2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.679 1.147 -1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.032 0.984 -1.689 1.00 0.00 H new ATOM 953 N ASP A 63 6.099 5.357 0.729 1.00 0.00 N ATOM 954 CA ASP A 63 6.335 6.767 0.970 1.00 0.00 C ATOM 955 C ASP A 63 7.254 7.311 -0.124 1.00 0.00 C ATOM 956 O ASP A 63 8.473 7.121 -0.076 1.00 0.00 O ATOM 957 CB ASP A 63 6.948 6.994 2.354 1.00 0.00 C ATOM 958 CG ASP A 63 7.263 8.472 2.577 1.00 0.00 C ATOM 959 OD1 ASP A 63 6.713 9.308 1.823 1.00 0.00 O ATOM 960 OD2 ASP A 63 8.063 8.744 3.497 1.00 0.00 O ATOM 0 H ASP A 63 6.516 4.737 1.423 1.00 0.00 H new ATOM 0 HA ASP A 63 5.384 7.298 0.945 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.258 6.645 3.123 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.860 6.405 2.453 1.00 0.00 H new ATOM 965 N VAL A 64 6.667 8.018 -1.091 1.00 0.00 N ATOM 966 CA VAL A 64 7.375 8.649 -2.199 1.00 0.00 C ATOM 967 C VAL A 64 8.470 9.579 -1.674 1.00 0.00 C ATOM 968 O VAL A 64 9.524 9.700 -2.294 1.00 0.00 O ATOM 969 CB VAL A 64 6.361 9.414 -3.070 1.00 0.00 C ATOM 970 CG1 VAL A 64 7.021 10.329 -4.110 1.00 0.00 C ATOM 971 CG2 VAL A 64 5.469 8.415 -3.809 1.00 0.00 C ATOM 0 H VAL A 64 5.659 8.170 -1.123 1.00 0.00 H new ATOM 0 HA VAL A 64 7.860 7.887 -2.809 1.00 0.00 H new ATOM 0 HB VAL A 64 5.786 10.044 -2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.250 10.837 -4.689 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.641 11.068 -3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.642 9.732 -4.778 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.751 8.955 -4.426 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.085 7.777 -4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.935 7.799 -3.085 1.00 0.00 H new ATOM 981 N ASP A 65 8.230 10.230 -0.530 1.00 0.00 N ATOM 982 CA ASP A 65 9.198 11.141 0.066 1.00 0.00 C ATOM 983 C ASP A 65 10.480 10.395 0.451 1.00 0.00 C ATOM 984 O ASP A 65 11.553 10.991 0.479 1.00 0.00 O ATOM 985 CB ASP A 65 8.565 11.809 1.292 1.00 0.00 C ATOM 986 CG ASP A 65 9.371 12.987 1.824 1.00 0.00 C ATOM 987 OD1 ASP A 65 9.907 13.743 0.984 1.00 0.00 O ATOM 988 OD2 ASP A 65 9.360 13.159 3.064 1.00 0.00 O ATOM 0 H ASP A 65 7.364 10.137 0.001 1.00 0.00 H new ATOM 0 HA ASP A 65 9.471 11.907 -0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.563 12.151 1.033 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.454 11.068 2.083 1.00 0.00 H new ATOM 993 N ALA A 66 10.369 9.094 0.752 1.00 0.00 N ATOM 994 CA ALA A 66 11.492 8.263 1.150 1.00 0.00 C ATOM 995 C ALA A 66 12.028 7.467 -0.039 1.00 0.00 C ATOM 996 O ALA A 66 13.155 7.697 -0.479 1.00 0.00 O ATOM 997 CB ALA A 66 11.055 7.331 2.281 1.00 0.00 C ATOM 0 H ALA A 66 9.482 8.592 0.723 1.00 0.00 H new ATOM 0 HA ALA A 66 12.301 8.901 1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.895 6.706 2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.720 7.924 3.132 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.237 6.698 1.936 1.00 0.00 H new ATOM 1003 N VAL A 67 11.241 6.531 -0.587 1.00 0.00 N ATOM 1004 CA VAL A 67 11.727 5.658 -1.657 1.00 0.00 C ATOM 1005 C VAL A 67 11.589 6.359 -3.016 1.00 0.00 C ATOM 1006 O VAL A 67 10.929 5.870 -3.938 1.00 0.00 O ATOM 1007 CB VAL A 67 11.025 4.287 -1.614 1.00 0.00 C ATOM 1008 CG1 VAL A 67 11.840 3.276 -2.425 1.00 0.00 C ATOM 1009 CG2 VAL A 67 10.949 3.700 -0.203 1.00 0.00 C ATOM 0 H VAL A 67 10.274 6.362 -0.308 1.00 0.00 H new ATOM 0 HA VAL A 67 12.788 5.461 -1.504 1.00 0.00 H new ATOM 0 HB VAL A 67 10.021 4.452 -2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.346 2.305 -2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.916 3.615 -3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.839 3.188 -1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.444 2.735 -0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.957 3.569 0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.392 4.378 0.444 1.00 0.00 H new ATOM 1019 N ALA A 68 12.275 7.497 -3.145 1.00 0.00 N ATOM 1020 CA ALA A 68 12.287 8.304 -4.354 1.00 0.00 C ATOM 1021 C ALA A 68 12.731 7.465 -5.555 1.00 0.00 C ATOM 1022 O ALA A 68 12.121 7.543 -6.615 1.00 0.00 O ATOM 1023 CB ALA A 68 13.221 9.500 -4.153 1.00 0.00 C ATOM 0 H ALA A 68 12.846 7.885 -2.395 1.00 0.00 H new ATOM 0 HA ALA A 68 11.279 8.668 -4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.233 10.108 -5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.867 10.102 -3.316 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.229 9.143 -3.942 1.00 0.00 H new ATOM 1029 N ALA A 69 13.774 6.646 -5.378 1.00 0.00 N ATOM 1030 CA ALA A 69 14.334 5.799 -6.425 1.00 0.00 C ATOM 1031 C ALA A 69 13.264 4.915 -7.078 1.00 0.00 C ATOM 1032 O ALA A 69 13.089 4.938 -8.295 1.00 0.00 O ATOM 1033 CB ALA A 69 15.451 4.937 -5.825 1.00 0.00 C ATOM 0 H ALA A 69 14.258 6.555 -4.485 1.00 0.00 H new ATOM 0 HA ALA A 69 14.739 6.439 -7.209 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.876 4.300 -6.601 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.230 5.582 -5.418 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.043 4.315 -5.028 1.00 0.00 H new ATOM 1039 N VAL A 70 12.551 4.122 -6.274 1.00 0.00 N ATOM 1040 CA VAL A 70 11.520 3.231 -6.794 1.00 0.00 C ATOM 1041 C VAL A 70 10.417 4.070 -7.421 1.00 0.00 C ATOM 1042 O VAL A 70 9.956 3.749 -8.509 1.00 0.00 O ATOM 1043 CB VAL A 70 10.967 2.319 -5.686 1.00 0.00 C ATOM 1044 CG1 VAL A 70 9.879 1.371 -6.206 1.00 0.00 C ATOM 1045 CG2 VAL A 70 12.099 1.452 -5.129 1.00 0.00 C ATOM 0 H VAL A 70 12.671 4.081 -5.262 1.00 0.00 H new ATOM 0 HA VAL A 70 11.952 2.580 -7.554 1.00 0.00 H new ATOM 0 HB VAL A 70 10.539 2.968 -4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.519 0.747 -5.388 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.051 1.954 -6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.293 0.738 -6.991 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.709 0.805 -4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.516 0.840 -5.929 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.879 2.092 -4.717 1.00 0.00 H new ATOM 1055 N ALA A 71 9.995 5.139 -6.743 1.00 0.00 N ATOM 1056 CA ALA A 71 8.946 6.014 -7.257 1.00 0.00 C ATOM 1057 C ALA A 71 9.286 6.538 -8.665 1.00 0.00 C ATOM 1058 O ALA A 71 8.502 6.376 -9.602 1.00 0.00 O ATOM 1059 CB ALA A 71 8.716 7.160 -6.266 1.00 0.00 C ATOM 0 H ALA A 71 10.366 5.418 -5.835 1.00 0.00 H new ATOM 0 HA ALA A 71 8.023 5.443 -7.356 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.933 7.817 -6.645 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.412 6.752 -5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.639 7.727 -6.145 1.00 0.00 H new ATOM 1065 N GLU A 72 10.453 7.165 -8.839 1.00 0.00 N ATOM 1066 CA GLU A 72 10.830 7.718 -10.134 1.00 0.00 C ATOM 1067 C GLU A 72 11.045 6.595 -11.155 1.00 0.00 C ATOM 1068 O GLU A 72 10.605 6.726 -12.293 1.00 0.00 O ATOM 1069 CB GLU A 72 12.042 8.655 -10.001 1.00 0.00 C ATOM 1070 CG GLU A 72 13.365 7.963 -9.659 1.00 0.00 C ATOM 1071 CD GLU A 72 14.446 8.976 -9.293 1.00 0.00 C ATOM 1072 OE1 GLU A 72 14.937 9.642 -10.230 1.00 0.00 O ATOM 1073 OE2 GLU A 72 14.754 9.072 -8.085 1.00 0.00 O ATOM 0 H GLU A 72 11.146 7.300 -8.102 1.00 0.00 H new ATOM 0 HA GLU A 72 10.012 8.332 -10.511 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.166 9.198 -10.938 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.827 9.394 -9.230 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.213 7.275 -8.827 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.696 7.367 -10.510 1.00 0.00 H new ATOM 1080 N ALA A 73 11.684 5.485 -10.761 1.00 0.00 N ATOM 1081 CA ALA A 73 11.904 4.358 -11.663 1.00 0.00 C ATOM 1082 C ALA A 73 10.566 3.801 -12.164 1.00 0.00 C ATOM 1083 O ALA A 73 10.405 3.528 -13.350 1.00 0.00 O ATOM 1084 CB ALA A 73 12.706 3.270 -10.945 1.00 0.00 C ATOM 0 H ALA A 73 12.056 5.348 -9.821 1.00 0.00 H new ATOM 0 HA ALA A 73 12.472 4.702 -12.528 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.868 2.431 -11.622 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.668 3.674 -10.632 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.154 2.929 -10.070 1.00 0.00 H new ATOM 1090 N ALA A 74 9.611 3.625 -11.248 1.00 0.00 N ATOM 1091 CA ALA A 74 8.270 3.147 -11.546 1.00 0.00 C ATOM 1092 C ALA A 74 7.538 4.159 -12.433 1.00 0.00 C ATOM 1093 O ALA A 74 6.734 3.768 -13.276 1.00 0.00 O ATOM 1094 CB ALA A 74 7.529 2.878 -10.234 1.00 0.00 C ATOM 0 H ALA A 74 9.758 3.817 -10.257 1.00 0.00 H new ATOM 0 HA ALA A 74 8.316 2.211 -12.102 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.523 2.519 -10.451 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.067 2.123 -9.660 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.469 3.799 -9.655 1.00 0.00 H new ATOM 1100 N GLY A 75 7.812 5.451 -12.236 1.00 0.00 N ATOM 1101 CA GLY A 75 7.279 6.544 -13.041 1.00 0.00 C ATOM 1102 C GLY A 75 6.144 7.265 -12.323 1.00 0.00 C ATOM 1103 O GLY A 75 5.082 7.495 -12.900 1.00 0.00 O ATOM 0 H GLY A 75 8.429 5.771 -11.489 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.076 7.252 -13.267 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.919 6.154 -13.993 1.00 0.00 H new ATOM 1107 N ILE A 76 6.363 7.622 -11.058 1.00 0.00 N ATOM 1108 CA ILE A 76 5.379 8.319 -10.240 1.00 0.00 C ATOM 1109 C ILE A 76 5.542 9.822 -10.460 1.00 0.00 C ATOM 1110 O ILE A 76 6.665 10.325 -10.479 1.00 0.00 O ATOM 1111 CB ILE A 76 5.585 7.927 -8.767 1.00 0.00 C ATOM 1112 CG1 ILE A 76 4.988 6.543 -8.453 1.00 0.00 C ATOM 1113 CG2 ILE A 76 4.934 8.933 -7.805 1.00 0.00 C ATOM 1114 CD1 ILE A 76 5.138 5.479 -9.542 1.00 0.00 C ATOM 0 H ILE A 76 7.238 7.432 -10.570 1.00 0.00 H new ATOM 0 HA ILE A 76 4.363 8.041 -10.520 1.00 0.00 H new ATOM 0 HB ILE A 76 6.665 7.915 -8.621 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.453 6.168 -7.541 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.926 6.668 -8.240 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.105 8.616 -6.776 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.373 9.919 -7.958 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.862 8.979 -7.997 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.680 4.548 -9.207 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.645 5.819 -10.453 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.196 5.311 -9.743 1.00 0.00 H new ATOM 1126 N THR A 77 4.423 10.532 -10.615 1.00 0.00 N ATOM 1127 CA THR A 77 4.395 11.973 -10.819 1.00 0.00 C ATOM 1128 C THR A 77 3.228 12.558 -10.020 1.00 0.00 C ATOM 1129 O THR A 77 3.413 13.138 -8.951 1.00 0.00 O ATOM 1130 CB THR A 77 4.268 12.269 -12.326 1.00 0.00 C ATOM 1131 OG1 THR A 77 3.169 11.555 -12.868 1.00 0.00 O ATOM 1132 CG2 THR A 77 5.533 11.858 -13.088 1.00 0.00 C ATOM 0 H THR A 77 3.495 10.109 -10.601 1.00 0.00 H new ATOM 0 HA THR A 77 5.316 12.437 -10.467 1.00 0.00 H new ATOM 0 HB THR A 77 4.120 13.343 -12.436 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.093 11.749 -13.826 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.408 12.081 -14.148 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.388 12.411 -12.699 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.704 10.789 -12.960 1.00 0.00 H new ATOM 1140 N ALA A 78 2.014 12.386 -10.542 1.00 0.00 N ATOM 1141 CA ALA A 78 0.784 12.887 -9.951 1.00 0.00 C ATOM 1142 C ALA A 78 0.405 12.063 -8.718 1.00 0.00 C ATOM 1143 O ALA A 78 -0.517 11.248 -8.764 1.00 0.00 O ATOM 1144 CB ALA A 78 -0.321 12.858 -11.013 1.00 0.00 C ATOM 0 H ALA A 78 1.860 11.879 -11.413 1.00 0.00 H new ATOM 0 HA ALA A 78 0.923 13.915 -9.616 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.250 13.232 -10.582 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.033 13.487 -11.855 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.467 11.834 -11.358 1.00 0.00 H new ATOM 1150 N MET A 79 1.128 12.249 -7.614 1.00 0.00 N ATOM 1151 CA MET A 79 0.808 11.578 -6.362 1.00 0.00 C ATOM 1152 C MET A 79 -0.551 12.107 -5.857 1.00 0.00 C ATOM 1153 O MET A 79 -0.781 13.314 -5.946 1.00 0.00 O ATOM 1154 CB MET A 79 1.941 11.763 -5.334 1.00 0.00 C ATOM 1155 CG MET A 79 2.085 13.154 -4.696 1.00 0.00 C ATOM 1156 SD MET A 79 2.621 14.507 -5.778 1.00 0.00 S ATOM 1157 CE MET A 79 1.538 15.828 -5.189 1.00 0.00 C ATOM 0 H MET A 79 1.942 12.862 -7.565 1.00 0.00 H new ATOM 0 HA MET A 79 0.721 10.503 -6.519 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.794 11.037 -4.534 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.884 11.515 -5.821 1.00 0.00 H new ATOM 0 HG2 MET A 79 1.123 13.428 -4.262 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.796 13.077 -3.873 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.737 16.740 -5.752 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.497 15.535 -5.329 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.725 16.007 -4.130 1.00 0.00 H new ATOM 1167 N PRO A 80 -1.466 11.275 -5.324 1.00 0.00 N ATOM 1168 CA PRO A 80 -1.370 9.833 -5.145 1.00 0.00 C ATOM 1169 C PRO A 80 -1.294 9.080 -6.466 1.00 0.00 C ATOM 1170 O PRO A 80 -2.108 9.315 -7.353 1.00 0.00 O ATOM 1171 CB PRO A 80 -2.660 9.420 -4.430 1.00 0.00 C ATOM 1172 CG PRO A 80 -3.082 10.684 -3.692 1.00 0.00 C ATOM 1173 CD PRO A 80 -2.698 11.753 -4.716 1.00 0.00 C ATOM 0 HA PRO A 80 -0.462 9.594 -4.591 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.423 9.095 -5.137 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.489 8.592 -3.742 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.148 10.694 -3.464 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.553 10.807 -2.747 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.481 11.882 -5.463 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.551 12.721 -4.238 1.00 0.00 H new ATOM 1181 N THR A 81 -0.328 8.174 -6.598 1.00 0.00 N ATOM 1182 CA THR A 81 -0.184 7.347 -7.781 1.00 0.00 C ATOM 1183 C THR A 81 -0.289 5.891 -7.336 1.00 0.00 C ATOM 1184 O THR A 81 0.625 5.341 -6.726 1.00 0.00 O ATOM 1185 CB THR A 81 1.130 7.690 -8.487 1.00 0.00 C ATOM 1186 OG1 THR A 81 1.077 8.997 -9.031 1.00 0.00 O ATOM 1187 CG2 THR A 81 1.422 6.721 -9.635 1.00 0.00 C ATOM 0 H THR A 81 0.376 7.997 -5.882 1.00 0.00 H new ATOM 0 HA THR A 81 -0.969 7.529 -8.515 1.00 0.00 H new ATOM 0 HB THR A 81 1.917 7.617 -7.736 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.300 9.471 -8.668 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.362 6.996 -10.113 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.496 5.706 -9.244 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.616 6.770 -10.367 1.00 0.00 H new ATOM 1195 N PHE A 82 -1.432 5.274 -7.620 1.00 0.00 N ATOM 1196 CA PHE A 82 -1.684 3.886 -7.304 1.00 0.00 C ATOM 1197 C PHE A 82 -1.197 3.026 -8.460 1.00 0.00 C ATOM 1198 O PHE A 82 -1.509 3.338 -9.607 1.00 0.00 O ATOM 1199 CB PHE A 82 -3.180 3.660 -7.082 1.00 0.00 C ATOM 1200 CG PHE A 82 -3.706 4.346 -5.843 1.00 0.00 C ATOM 1201 CD1 PHE A 82 -3.588 3.699 -4.600 1.00 0.00 C ATOM 1202 CD2 PHE A 82 -4.205 5.662 -5.908 1.00 0.00 C ATOM 1203 CE1 PHE A 82 -3.986 4.361 -3.431 1.00 0.00 C ATOM 1204 CE2 PHE A 82 -4.542 6.341 -4.725 1.00 0.00 C ATOM 1205 CZ PHE A 82 -4.380 5.701 -3.484 1.00 0.00 C ATOM 0 H PHE A 82 -2.215 5.737 -8.082 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.154 3.616 -6.391 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.729 4.022 -7.951 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.372 2.590 -7.007 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.192 2.696 -4.547 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.328 6.148 -6.865 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.988 3.835 -2.488 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.924 7.350 -4.769 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.560 6.246 -2.569 1.00 0.00 H new ATOM 1215 N HIS A 83 -0.439 1.963 -8.185 1.00 0.00 N ATOM 1216 CA HIS A 83 0.014 1.015 -9.200 1.00 0.00 C ATOM 1217 C HIS A 83 -0.438 -0.376 -8.777 1.00 0.00 C ATOM 1218 O HIS A 83 -0.534 -0.643 -7.582 1.00 0.00 O ATOM 1219 CB HIS A 83 1.536 1.013 -9.331 1.00 0.00 C ATOM 1220 CG HIS A 83 2.174 2.089 -10.170 1.00 0.00 C ATOM 1221 ND1 HIS A 83 3.474 1.920 -10.651 1.00 0.00 N ATOM 1222 CD2 HIS A 83 1.700 3.299 -10.603 1.00 0.00 C ATOM 1223 CE1 HIS A 83 3.711 3.013 -11.382 1.00 0.00 C ATOM 1224 NE2 HIS A 83 2.680 3.870 -11.389 1.00 0.00 N ATOM 0 H HIS A 83 -0.121 1.736 -7.243 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.409 1.304 -10.162 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.958 1.077 -8.328 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.835 0.048 -9.741 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.736 3.728 -10.372 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.636 3.188 -11.912 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.630 4.764 -11.877 1.00 0.00 H new ATOM 1232 N VAL A 84 -0.695 -1.263 -9.739 1.00 0.00 N ATOM 1233 CA VAL A 84 -1.049 -2.651 -9.486 1.00 0.00 C ATOM 1234 C VAL A 84 -0.039 -3.507 -10.240 1.00 0.00 C ATOM 1235 O VAL A 84 -0.032 -3.466 -11.474 1.00 0.00 O ATOM 1236 CB VAL A 84 -2.476 -2.971 -9.970 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -2.902 -4.333 -9.406 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.511 -1.919 -9.560 1.00 0.00 C ATOM 0 H VAL A 84 -0.661 -1.028 -10.731 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.027 -2.852 -8.415 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.445 -2.979 -11.060 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.911 -4.567 -9.744 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.214 -5.103 -9.756 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.883 -4.298 -8.317 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.493 -2.209 -9.934 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.544 -1.846 -8.473 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.233 -0.952 -9.980 1.00 0.00 H new ATOM 1248 N TYR A 85 0.820 -4.254 -9.535 1.00 0.00 N ATOM 1249 CA TYR A 85 1.733 -5.187 -10.186 1.00 0.00 C ATOM 1250 C TYR A 85 1.277 -6.590 -9.803 1.00 0.00 C ATOM 1251 O TYR A 85 1.110 -6.872 -8.618 1.00 0.00 O ATOM 1252 CB TYR A 85 3.211 -4.977 -9.805 1.00 0.00 C ATOM 1253 CG TYR A 85 3.809 -3.602 -10.033 1.00 0.00 C ATOM 1254 CD1 TYR A 85 3.419 -2.522 -9.220 1.00 0.00 C ATOM 1255 CD2 TYR A 85 4.914 -3.450 -10.895 1.00 0.00 C ATOM 1256 CE1 TYR A 85 4.057 -1.277 -9.349 1.00 0.00 C ATOM 1257 CE2 TYR A 85 5.542 -2.200 -11.030 1.00 0.00 C ATOM 1258 CZ TYR A 85 5.086 -1.103 -10.285 1.00 0.00 C ATOM 1259 OH TYR A 85 5.604 0.136 -10.500 1.00 0.00 O ATOM 0 H TYR A 85 0.898 -4.227 -8.518 1.00 0.00 H new ATOM 0 HA TYR A 85 1.694 -5.022 -11.263 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.323 -5.220 -8.748 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.807 -5.699 -10.363 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.628 -2.650 -8.496 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.280 -4.298 -11.454 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.753 -0.450 -8.724 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.375 -2.084 -11.707 1.00 0.00 H new ATOM 0 HH TYR A 85 4.886 0.802 -10.463 1.00 0.00 H new ATOM 1269 N LYS A 86 1.025 -7.463 -10.778 1.00 0.00 N ATOM 1270 CA LYS A 86 0.669 -8.841 -10.478 1.00 0.00 C ATOM 1271 C LYS A 86 1.994 -9.565 -10.260 1.00 0.00 C ATOM 1272 O LYS A 86 2.803 -9.644 -11.188 1.00 0.00 O ATOM 1273 CB LYS A 86 -0.197 -9.435 -11.594 1.00 0.00 C ATOM 1274 CG LYS A 86 -1.581 -8.763 -11.548 1.00 0.00 C ATOM 1275 CD LYS A 86 -2.559 -9.304 -12.597 1.00 0.00 C ATOM 1276 CE LYS A 86 -3.021 -10.727 -12.259 1.00 0.00 C ATOM 1277 NZ LYS A 86 -4.096 -11.174 -13.161 1.00 0.00 N ATOM 0 H LYS A 86 1.061 -7.239 -11.772 1.00 0.00 H new ATOM 0 HA LYS A 86 0.051 -8.937 -9.585 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.271 -9.272 -12.565 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.295 -10.513 -11.465 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.011 -8.902 -10.556 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.460 -7.690 -11.695 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.425 -8.645 -12.661 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.082 -9.299 -13.577 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.176 -11.412 -12.331 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.372 -10.761 -11.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.385 -12.140 -12.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.911 -10.534 -13.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.752 -11.164 -14.142 1.00 0.00 H new ATOM 1291 N ASP A 87 2.242 -9.994 -9.017 1.00 0.00 N ATOM 1292 CA ASP A 87 3.472 -10.591 -8.500 1.00 0.00 C ATOM 1293 C ASP A 87 4.562 -9.522 -8.441 1.00 0.00 C ATOM 1294 O ASP A 87 5.031 -9.139 -7.373 1.00 0.00 O ATOM 1295 CB ASP A 87 3.911 -11.809 -9.327 1.00 0.00 C ATOM 1296 CG ASP A 87 5.125 -12.472 -8.685 1.00 0.00 C ATOM 1297 OD1 ASP A 87 4.931 -13.168 -7.665 1.00 0.00 O ATOM 1298 OD2 ASP A 87 6.234 -12.247 -9.218 1.00 0.00 O ATOM 0 H ASP A 87 1.529 -9.926 -8.291 1.00 0.00 H new ATOM 0 HA ASP A 87 3.286 -10.963 -7.493 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.092 -12.524 -9.397 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.152 -11.499 -10.344 1.00 0.00 H new ATOM 1303 N GLY A 88 4.923 -9.027 -9.620 1.00 0.00 N ATOM 1304 CA GLY A 88 5.901 -7.974 -9.841 1.00 0.00 C ATOM 1305 C GLY A 88 5.820 -7.386 -11.256 1.00 0.00 C ATOM 1306 O GLY A 88 6.666 -6.572 -11.619 1.00 0.00 O ATOM 0 H GLY A 88 4.518 -9.369 -10.492 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.746 -7.179 -9.111 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.902 -8.371 -9.672 1.00 0.00 H new ATOM 1310 N VAL A 89 4.817 -7.764 -12.060 1.00 0.00 N ATOM 1311 CA VAL A 89 4.640 -7.276 -13.420 1.00 0.00 C ATOM 1312 C VAL A 89 3.571 -6.186 -13.382 1.00 0.00 C ATOM 1313 O VAL A 89 2.435 -6.482 -13.009 1.00 0.00 O ATOM 1314 CB VAL A 89 4.215 -8.443 -14.331 1.00 0.00 C ATOM 1315 CG1 VAL A 89 4.096 -7.979 -15.789 1.00 0.00 C ATOM 1316 CG2 VAL A 89 5.219 -9.602 -14.252 1.00 0.00 C ATOM 0 H VAL A 89 4.098 -8.428 -11.772 1.00 0.00 H new ATOM 0 HA VAL A 89 5.567 -6.865 -13.819 1.00 0.00 H new ATOM 0 HB VAL A 89 3.243 -8.791 -13.981 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.795 -8.819 -16.415 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.349 -7.188 -15.859 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.059 -7.600 -16.130 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.893 -10.411 -14.905 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.202 -9.254 -14.569 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.276 -9.965 -13.226 1.00 0.00 H new ATOM 1326 N LYS A 90 3.918 -4.938 -13.734 1.00 0.00 N ATOM 1327 CA LYS A 90 2.976 -3.822 -13.727 1.00 0.00 C ATOM 1328 C LYS A 90 1.785 -4.179 -14.619 1.00 0.00 C ATOM 1329 O LYS A 90 1.929 -4.280 -15.835 1.00 0.00 O ATOM 1330 CB LYS A 90 3.655 -2.521 -14.190 1.00 0.00 C ATOM 1331 CG LYS A 90 2.775 -1.309 -13.832 1.00 0.00 C ATOM 1332 CD LYS A 90 3.272 0.014 -14.435 1.00 0.00 C ATOM 1333 CE LYS A 90 4.626 0.462 -13.880 1.00 0.00 C ATOM 1334 NZ LYS A 90 5.012 1.774 -14.430 1.00 0.00 N ATOM 0 H LYS A 90 4.860 -4.681 -14.030 1.00 0.00 H new ATOM 0 HA LYS A 90 2.624 -3.648 -12.710 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.632 -2.423 -13.717 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.824 -2.553 -15.266 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.758 -1.495 -14.176 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.732 -1.210 -12.747 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.349 -0.094 -15.517 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.533 0.792 -14.244 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.577 0.519 -12.793 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.387 -0.278 -14.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.637 2.262 -13.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.512 1.639 -15.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.160 2.348 -14.590 1.00 0.00 H new ATOM 1348 N ALA A 91 0.622 -4.381 -14.003 1.00 0.00 N ATOM 1349 CA ALA A 91 -0.605 -4.766 -14.676 1.00 0.00 C ATOM 1350 C ALA A 91 -1.524 -3.567 -14.872 1.00 0.00 C ATOM 1351 O ALA A 91 -2.274 -3.527 -15.845 1.00 0.00 O ATOM 1352 CB ALA A 91 -1.300 -5.851 -13.852 1.00 0.00 C ATOM 0 H ALA A 91 0.510 -4.277 -12.995 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.365 -5.154 -15.666 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.224 -6.149 -14.348 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.642 -6.716 -13.760 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.530 -5.463 -12.860 1.00 0.00 H new ATOM 1358 N ASP A 92 -1.497 -2.602 -13.947 1.00 0.00 N ATOM 1359 CA ASP A 92 -2.372 -1.436 -14.020 1.00 0.00 C ATOM 1360 C ASP A 92 -1.813 -0.294 -13.177 1.00 0.00 C ATOM 1361 O ASP A 92 -0.846 -0.486 -12.437 1.00 0.00 O ATOM 1362 CB ASP A 92 -3.765 -1.847 -13.516 1.00 0.00 C ATOM 1363 CG ASP A 92 -4.913 -1.124 -14.205 1.00 0.00 C ATOM 1364 OD1 ASP A 92 -4.746 0.078 -14.504 1.00 0.00 O ATOM 1365 OD2 ASP A 92 -5.949 -1.799 -14.404 1.00 0.00 O ATOM 0 H ASP A 92 -0.875 -2.609 -13.138 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.438 -1.085 -15.050 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.889 -2.921 -13.658 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.822 -1.658 -12.444 1.00 0.00 H new ATOM 1370 N ASP A 93 -2.427 0.887 -13.275 1.00 0.00 N ATOM 1371 CA ASP A 93 -2.090 2.063 -12.495 1.00 0.00 C ATOM 1372 C ASP A 93 -3.269 3.024 -12.520 1.00 0.00 C ATOM 1373 O ASP A 93 -4.212 2.844 -13.286 1.00 0.00 O ATOM 1374 CB ASP A 93 -0.809 2.748 -12.981 1.00 0.00 C ATOM 1375 CG ASP A 93 -0.885 3.201 -14.433 1.00 0.00 C ATOM 1376 OD1 ASP A 93 -1.415 4.312 -14.648 1.00 0.00 O ATOM 1377 OD2 ASP A 93 -0.387 2.442 -15.292 1.00 0.00 O ATOM 0 H ASP A 93 -3.197 1.049 -13.924 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.889 1.748 -11.471 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.604 3.611 -12.348 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.029 2.061 -12.865 1.00 0.00 H new ATOM 1382 N LEU A 94 -3.202 4.033 -11.657 1.00 0.00 N ATOM 1383 CA LEU A 94 -4.280 4.981 -11.437 1.00 0.00 C ATOM 1384 C LEU A 94 -3.763 6.165 -10.619 1.00 0.00 C ATOM 1385 O LEU A 94 -3.310 5.980 -9.494 1.00 0.00 O ATOM 1386 CB LEU A 94 -5.388 4.225 -10.691 1.00 0.00 C ATOM 1387 CG LEU A 94 -6.484 5.117 -10.099 1.00 0.00 C ATOM 1388 CD1 LEU A 94 -7.272 5.784 -11.226 1.00 0.00 C ATOM 1389 CD2 LEU A 94 -7.396 4.235 -9.248 1.00 0.00 C ATOM 0 H LEU A 94 -2.380 4.215 -11.082 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.666 5.381 -12.374 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.848 3.513 -11.376 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.936 3.646 -9.886 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.051 5.904 -9.482 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.050 6.417 -10.800 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.599 6.393 -11.830 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.730 5.018 -11.853 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.188 4.844 -8.812 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.837 3.458 -9.873 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.814 3.772 -8.451 1.00 0.00 H new ATOM 1401 N VAL A 95 -3.840 7.383 -11.156 1.00 0.00 N ATOM 1402 CA VAL A 95 -3.383 8.587 -10.474 1.00 0.00 C ATOM 1403 C VAL A 95 -4.543 9.304 -9.771 1.00 0.00 C ATOM 1404 O VAL A 95 -5.716 9.065 -10.070 1.00 0.00 O ATOM 1405 CB VAL A 95 -2.680 9.523 -11.475 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -1.398 8.874 -12.012 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -3.577 9.942 -12.649 1.00 0.00 C ATOM 0 H VAL A 95 -4.225 7.560 -12.084 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.668 8.297 -9.704 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.435 10.429 -10.920 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.916 9.551 -12.718 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.719 8.669 -11.184 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.647 7.940 -12.517 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.020 10.600 -13.316 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.896 9.056 -13.198 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.453 10.468 -12.268 1.00 0.00 H new ATOM 1417 N GLY A 96 -4.197 10.203 -8.845 1.00 0.00 N ATOM 1418 CA GLY A 96 -5.132 11.042 -8.117 1.00 0.00 C ATOM 1419 C GLY A 96 -5.802 10.289 -6.973 1.00 0.00 C ATOM 1420 O GLY A 96 -5.640 9.078 -6.816 1.00 0.00 O ATOM 0 H GLY A 96 -3.226 10.366 -8.579 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.607 11.911 -7.721 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.894 11.415 -8.802 1.00 0.00 H new ATOM 1424 N ALA A 97 -6.601 11.004 -6.176 1.00 0.00 N ATOM 1425 CA ALA A 97 -7.348 10.446 -5.051 1.00 0.00 C ATOM 1426 C ALA A 97 -8.590 9.690 -5.545 1.00 0.00 C ATOM 1427 O ALA A 97 -9.671 9.787 -4.965 1.00 0.00 O ATOM 1428 CB ALA A 97 -7.739 11.593 -4.114 1.00 0.00 C ATOM 0 H ALA A 97 -6.748 12.006 -6.299 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.728 9.730 -4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.298 11.196 -3.267 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.839 12.091 -3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.358 12.309 -4.654 1.00 0.00 H new ATOM 1434 N SER A 98 -8.430 8.901 -6.603 1.00 0.00 N ATOM 1435 CA SER A 98 -9.479 8.165 -7.282 1.00 0.00 C ATOM 1436 C SER A 98 -9.822 6.891 -6.505 1.00 0.00 C ATOM 1437 O SER A 98 -9.790 5.798 -7.061 1.00 0.00 O ATOM 1438 CB SER A 98 -8.948 7.864 -8.689 1.00 0.00 C ATOM 1439 OG SER A 98 -8.397 9.044 -9.257 1.00 0.00 O ATOM 0 H SER A 98 -7.515 8.753 -7.028 1.00 0.00 H new ATOM 0 HA SER A 98 -10.405 8.736 -7.346 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.189 7.083 -8.642 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.754 7.488 -9.319 1.00 0.00 H new ATOM 0 HG SER A 98 -7.452 8.894 -9.470 1.00 0.00 H new ATOM 1445 N GLN A 99 -10.144 7.029 -5.215 1.00 0.00 N ATOM 1446 CA GLN A 99 -10.401 5.910 -4.313 1.00 0.00 C ATOM 1447 C GLN A 99 -11.479 4.958 -4.852 1.00 0.00 C ATOM 1448 O GLN A 99 -11.367 3.745 -4.691 1.00 0.00 O ATOM 1449 CB GLN A 99 -10.705 6.451 -2.905 1.00 0.00 C ATOM 1450 CG GLN A 99 -11.904 7.409 -2.785 1.00 0.00 C ATOM 1451 CD GLN A 99 -13.236 6.690 -2.599 1.00 0.00 C ATOM 1452 OE1 GLN A 99 -14.130 6.796 -3.429 1.00 0.00 O ATOM 1453 NE2 GLN A 99 -13.390 5.962 -1.497 1.00 0.00 N ATOM 0 H GLN A 99 -10.234 7.939 -4.764 1.00 0.00 H new ATOM 0 HA GLN A 99 -9.505 5.293 -4.247 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -10.878 5.603 -2.243 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -9.818 6.966 -2.538 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -11.741 8.080 -1.942 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.956 8.029 -3.680 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -12.628 5.891 -0.822 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -14.270 5.475 -1.327 1.00 0.00 H new ATOM 1462 N ASP A 100 -12.504 5.489 -5.515 1.00 0.00 N ATOM 1463 CA ASP A 100 -13.568 4.698 -6.120 1.00 0.00 C ATOM 1464 C ASP A 100 -12.983 3.771 -7.191 1.00 0.00 C ATOM 1465 O ASP A 100 -13.210 2.560 -7.184 1.00 0.00 O ATOM 1466 CB ASP A 100 -14.639 5.635 -6.707 1.00 0.00 C ATOM 1467 CG ASP A 100 -14.139 6.538 -7.837 1.00 0.00 C ATOM 1468 OD1 ASP A 100 -12.981 7.006 -7.736 1.00 0.00 O ATOM 1469 OD2 ASP A 100 -14.918 6.731 -8.794 1.00 0.00 O ATOM 0 H ASP A 100 -12.618 6.494 -5.648 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.042 4.075 -5.362 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -15.467 5.032 -7.080 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.035 6.260 -5.907 1.00 0.00 H new ATOM 1474 N LYS A 101 -12.205 4.339 -8.113 1.00 0.00 N ATOM 1475 CA LYS A 101 -11.594 3.570 -9.177 1.00 0.00 C ATOM 1476 C LYS A 101 -10.529 2.642 -8.584 1.00 0.00 C ATOM 1477 O LYS A 101 -10.344 1.538 -9.088 1.00 0.00 O ATOM 1478 CB LYS A 101 -11.058 4.516 -10.259 1.00 0.00 C ATOM 1479 CG LYS A 101 -10.619 3.731 -11.504 1.00 0.00 C ATOM 1480 CD LYS A 101 -10.447 4.663 -12.709 1.00 0.00 C ATOM 1481 CE LYS A 101 -9.813 3.896 -13.876 1.00 0.00 C ATOM 1482 NZ LYS A 101 -9.604 4.769 -15.044 1.00 0.00 N ATOM 0 H LYS A 101 -11.987 5.335 -8.137 1.00 0.00 H new ATOM 0 HA LYS A 101 -12.328 2.931 -9.668 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.829 5.237 -10.532 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.215 5.084 -9.866 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.680 3.216 -11.301 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.359 2.965 -11.735 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.414 5.065 -13.010 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.820 5.512 -12.437 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.859 3.474 -13.560 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.455 3.060 -14.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -9.174 4.220 -15.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.518 5.152 -15.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.972 5.553 -14.783 1.00 0.00 H new ATOM 1496 N LEU A 102 -9.846 3.060 -7.512 1.00 0.00 N ATOM 1497 CA LEU A 102 -8.866 2.225 -6.826 1.00 0.00 C ATOM 1498 C LEU A 102 -9.576 0.948 -6.397 1.00 0.00 C ATOM 1499 O LEU A 102 -9.169 -0.146 -6.777 1.00 0.00 O ATOM 1500 CB LEU A 102 -8.262 2.975 -5.620 1.00 0.00 C ATOM 1501 CG LEU A 102 -7.025 2.340 -4.959 1.00 0.00 C ATOM 1502 CD1 LEU A 102 -7.400 1.319 -3.878 1.00 0.00 C ATOM 1503 CD2 LEU A 102 -6.044 1.740 -5.971 1.00 0.00 C ATOM 0 H LEU A 102 -9.960 3.986 -7.100 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.034 1.980 -7.487 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.996 3.981 -5.944 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.037 3.079 -4.861 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.505 3.163 -4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.493 0.900 -3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.982 1.811 -3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.992 0.519 -4.323 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.194 1.308 -5.442 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.546 0.963 -6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.693 2.522 -6.645 1.00 0.00 H new ATOM 1515 N LYS A 103 -10.662 1.100 -5.633 1.00 0.00 N ATOM 1516 CA LYS A 103 -11.477 -0.015 -5.181 1.00 0.00 C ATOM 1517 C LYS A 103 -11.854 -0.915 -6.363 1.00 0.00 C ATOM 1518 O LYS A 103 -11.644 -2.127 -6.303 1.00 0.00 O ATOM 1519 CB LYS A 103 -12.717 0.526 -4.459 1.00 0.00 C ATOM 1520 CG LYS A 103 -12.355 1.102 -3.085 1.00 0.00 C ATOM 1521 CD LYS A 103 -13.557 1.829 -2.468 1.00 0.00 C ATOM 1522 CE LYS A 103 -13.199 2.471 -1.122 1.00 0.00 C ATOM 1523 NZ LYS A 103 -12.795 1.470 -0.117 1.00 0.00 N ATOM 0 H LYS A 103 -10.996 2.009 -5.313 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.910 -0.627 -4.479 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.186 1.299 -5.068 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.448 -0.273 -4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.030 0.299 -2.423 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.517 1.793 -3.184 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -13.910 2.597 -3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.377 1.124 -2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -12.389 3.186 -1.266 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -14.056 3.032 -0.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -12.677 1.933 0.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -13.528 0.735 -0.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -11.895 1.034 -0.403 1.00 0.00 H new ATOM 1537 N ALA A 104 -12.382 -0.325 -7.442 1.00 0.00 N ATOM 1538 CA ALA A 104 -12.769 -1.081 -8.629 1.00 0.00 C ATOM 1539 C ALA A 104 -11.593 -1.894 -9.191 1.00 0.00 C ATOM 1540 O ALA A 104 -11.730 -3.091 -9.444 1.00 0.00 O ATOM 1541 CB ALA A 104 -13.325 -0.125 -9.688 1.00 0.00 C ATOM 0 H ALA A 104 -12.550 0.679 -7.513 1.00 0.00 H new ATOM 0 HA ALA A 104 -13.544 -1.793 -8.345 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -13.613 -0.691 -10.574 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -14.197 0.393 -9.289 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.561 0.605 -9.957 1.00 0.00 H new ATOM 1547 N LEU A 105 -10.435 -1.258 -9.399 1.00 0.00 N ATOM 1548 CA LEU A 105 -9.265 -1.941 -9.934 1.00 0.00 C ATOM 1549 C LEU A 105 -8.826 -3.062 -8.992 1.00 0.00 C ATOM 1550 O LEU A 105 -8.589 -4.179 -9.444 1.00 0.00 O ATOM 1551 CB LEU A 105 -8.108 -0.961 -10.168 1.00 0.00 C ATOM 1552 CG LEU A 105 -8.327 0.016 -11.336 1.00 0.00 C ATOM 1553 CD1 LEU A 105 -7.052 0.849 -11.515 1.00 0.00 C ATOM 1554 CD2 LEU A 105 -8.650 -0.699 -12.654 1.00 0.00 C ATOM 0 H LEU A 105 -10.289 -0.268 -9.202 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.540 -2.374 -10.896 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.945 -0.387 -9.256 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.197 -1.531 -10.353 1.00 0.00 H new ATOM 0 HG LEU A 105 -9.185 0.643 -11.092 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.187 1.549 -12.340 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.848 1.403 -10.599 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.213 0.188 -11.734 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.795 0.039 -13.443 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.825 -1.359 -12.922 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -9.561 -1.286 -12.536 1.00 0.00 H new ATOM 1566 N VAL A 106 -8.710 -2.790 -7.692 1.00 0.00 N ATOM 1567 CA VAL A 106 -8.318 -3.825 -6.744 1.00 0.00 C ATOM 1568 C VAL A 106 -9.271 -5.007 -6.882 1.00 0.00 C ATOM 1569 O VAL A 106 -8.826 -6.136 -7.054 1.00 0.00 O ATOM 1570 CB VAL A 106 -8.302 -3.267 -5.315 1.00 0.00 C ATOM 1571 CG1 VAL A 106 -8.032 -4.370 -4.284 1.00 0.00 C ATOM 1572 CG2 VAL A 106 -7.188 -2.227 -5.186 1.00 0.00 C ATOM 0 H VAL A 106 -8.880 -1.873 -7.278 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.306 -4.167 -6.962 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.280 -2.826 -5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.028 -3.939 -3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.812 -5.128 -4.349 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.064 -4.828 -4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.176 -1.830 -4.171 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.227 -2.694 -5.404 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.365 -1.415 -5.891 1.00 0.00 H new ATOM 1582 N ALA A 107 -10.575 -4.738 -6.836 1.00 0.00 N ATOM 1583 CA ALA A 107 -11.594 -5.774 -6.980 1.00 0.00 C ATOM 1584 C ALA A 107 -11.362 -6.597 -8.252 1.00 0.00 C ATOM 1585 O ALA A 107 -11.318 -7.824 -8.189 1.00 0.00 O ATOM 1586 CB ALA A 107 -12.989 -5.141 -6.971 1.00 0.00 C ATOM 0 H ALA A 107 -10.952 -3.800 -6.699 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.522 -6.457 -6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.743 -5.921 -7.079 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -13.144 -4.615 -6.029 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.074 -4.437 -7.799 1.00 0.00 H new ATOM 1592 N LYS A 108 -11.201 -5.925 -9.396 1.00 0.00 N ATOM 1593 CA LYS A 108 -10.931 -6.568 -10.677 1.00 0.00 C ATOM 1594 C LYS A 108 -9.714 -7.487 -10.569 1.00 0.00 C ATOM 1595 O LYS A 108 -9.805 -8.708 -10.692 1.00 0.00 O ATOM 1596 CB LYS A 108 -10.694 -5.465 -11.727 1.00 0.00 C ATOM 1597 CG LYS A 108 -10.204 -5.958 -13.100 1.00 0.00 C ATOM 1598 CD LYS A 108 -9.892 -4.794 -14.051 1.00 0.00 C ATOM 1599 CE LYS A 108 -11.123 -3.942 -14.385 1.00 0.00 C ATOM 1600 NZ LYS A 108 -10.804 -2.926 -15.403 1.00 0.00 N ATOM 0 H LYS A 108 -11.256 -4.908 -9.455 1.00 0.00 H new ATOM 0 HA LYS A 108 -11.780 -7.184 -10.974 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.624 -4.915 -11.868 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -9.963 -4.760 -11.331 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -9.310 -6.568 -12.968 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -10.964 -6.598 -13.548 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -9.130 -4.159 -13.600 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -9.471 -5.191 -14.975 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -11.926 -4.584 -14.747 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.487 -3.454 -13.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -11.654 -2.364 -15.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -10.054 -2.301 -15.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -10.479 -3.396 -16.272 1.00 0.00 H new ATOM 1614 N HIS A 109 -8.556 -6.870 -10.352 1.00 0.00 N ATOM 1615 CA HIS A 109 -7.273 -7.556 -10.343 1.00 0.00 C ATOM 1616 C HIS A 109 -7.208 -8.659 -9.282 1.00 0.00 C ATOM 1617 O HIS A 109 -6.528 -9.662 -9.485 1.00 0.00 O ATOM 1618 CB HIS A 109 -6.154 -6.524 -10.174 1.00 0.00 C ATOM 1619 CG HIS A 109 -5.931 -5.723 -11.432 1.00 0.00 C ATOM 1620 ND1 HIS A 109 -5.029 -6.156 -12.401 1.00 0.00 N ATOM 1621 CD2 HIS A 109 -6.527 -4.568 -11.873 1.00 0.00 C ATOM 1622 CE1 HIS A 109 -5.122 -5.251 -13.378 1.00 0.00 C ATOM 1623 NE2 HIS A 109 -5.999 -4.274 -13.109 1.00 0.00 N ATOM 0 H HIS A 109 -8.484 -5.868 -10.176 1.00 0.00 H new ATOM 0 HA HIS A 109 -7.143 -8.066 -11.298 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -6.403 -5.850 -9.354 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.230 -7.033 -9.899 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -7.275 -3.994 -11.346 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -4.549 -5.301 -14.292 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -6.228 -3.475 -13.700 1.00 0.00 H new ATOM 1631 N ALA A 110 -7.903 -8.492 -8.154 1.00 0.00 N ATOM 1632 CA ALA A 110 -7.913 -9.467 -7.072 1.00 0.00 C ATOM 1633 C ALA A 110 -8.765 -10.699 -7.388 1.00 0.00 C ATOM 1634 O ALA A 110 -8.817 -11.609 -6.562 1.00 0.00 O ATOM 1635 CB ALA A 110 -8.433 -8.801 -5.798 1.00 0.00 C ATOM 0 H ALA A 110 -8.477 -7.669 -7.969 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.888 -9.813 -6.938 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -8.442 -9.527 -4.985 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.783 -7.967 -5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.445 -8.433 -5.967 1.00 0.00 H new ATOM 1641 N ALA A 111 -9.443 -10.765 -8.539 1.00 0.00 N ATOM 1642 CA ALA A 111 -10.261 -11.923 -8.880 1.00 0.00 C ATOM 1643 C ALA A 111 -9.393 -13.096 -9.365 1.00 0.00 C ATOM 1644 O ALA A 111 -9.655 -13.650 -10.431 1.00 0.00 O ATOM 1645 CB ALA A 111 -11.287 -11.503 -9.940 1.00 0.00 C ATOM 0 H ALA A 111 -9.439 -10.029 -9.246 1.00 0.00 H new ATOM 0 HA ALA A 111 -10.786 -12.274 -7.992 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -11.907 -12.359 -10.206 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -11.918 -10.708 -9.541 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -10.767 -11.143 -10.827 1.00 0.00 H new ATOM 1651 N ALA A 112 -8.373 -13.487 -8.592 1.00 0.00 N ATOM 1652 CA ALA A 112 -7.458 -14.577 -8.887 1.00 0.00 C ATOM 1653 C ALA A 112 -6.585 -14.801 -7.651 1.00 0.00 C ATOM 1654 O ALA A 112 -5.904 -15.848 -7.597 1.00 0.00 O ATOM 1655 CB ALA A 112 -6.585 -14.235 -10.100 1.00 0.00 C ATOM 1656 OXT ALA A 112 -6.590 -13.900 -6.782 1.00 0.00 O ATOM 0 H ALA A 112 -8.160 -13.027 -7.707 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.017 -15.482 -9.127 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.907 -15.063 -10.305 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.220 -14.063 -10.969 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -6.006 -13.336 -9.890 1.00 0.00 H new TER 1662 ALA A 112