USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=22 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= 0.723 K(o=2.1,f=-6.6!) USER MOD Set 1.2: A 85 TYR OH : rot -12:sc= 1.33 USER MOD Single : A 1 GLY N :NH3+ -158:sc= 1.84 (180deg=0.611) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0725 USER MOD Single : A 9 SER OG : rot 60:sc= 0.831 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0.313 K(o=0.31,f=-5.3!) USER MOD Single : A 19 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0485) USER MOD Single : A 21 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.138) USER MOD Single : A 24 HIS : no HD1:sc= 0.912 K(o=0.91,f=-4.9!) USER MOD Single : A 25 LYS NZ :NH3+ 171:sc= 0.627 (180deg=0.456) USER MOD Single : A 32 THR OG1 : rot 60:sc= 0.326 USER MOD Single : A 34 THR OG1 : rot -15:sc= 1.37 USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= 0.706 (180deg=0.542) USER MOD Single : A 41 MET CE :methyl 169:sc= 0 (180deg=-0.103) USER MOD Single : A 48 THR OG1 : rot -62:sc= 1.24 USER MOD Single : A 50 SER OG : rot -21:sc= 1.25 USER MOD Single : A 51 ASN : amide:sc= -0.104! X(o=-0.1!,f=-0.046) USER MOD Single : A 53 TYR OH : rot 30:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -147:sc= -0.575 (180deg=-2.09) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.381 USER MOD Single : A 79 MET CE :methyl 174:sc= -0.0683 (180deg=-0.16) USER MOD Single : A 81 THR OG1 : rot 11:sc= 0.831 USER MOD Single : A 86 LYS NZ :NH3+ -177:sc= 1.01 (180deg=0.943) USER MOD Single : A 90 LYS NZ :NH3+ 165:sc= 1.16 (180deg=0.832) USER MOD Single : A 98 SER OG : rot 112:sc= 1.11 USER MOD Single : A 99 GLN : amide:sc= -0.0648 K(o=-0.065,f=-2.8!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0616) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.0516 K(o=-0.052,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.318 -13.237 1.868 1.00 0.00 N ATOM 2 CA GLY A 1 0.362 -11.774 1.941 1.00 0.00 C ATOM 3 C GLY A 1 -0.176 -11.358 3.300 1.00 0.00 C ATOM 4 O GLY A 1 0.058 -12.096 4.253 1.00 0.00 O ATOM 0 H1 GLY A 1 0.994 -13.569 1.151 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.570 -13.639 2.794 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.641 -13.543 1.608 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.383 -11.416 1.809 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.236 -11.334 1.143 1.00 0.00 H new ATOM 10 N GLY A 2 -0.912 -10.249 3.384 1.00 0.00 N ATOM 11 CA GLY A 2 -1.484 -9.745 4.626 1.00 0.00 C ATOM 12 C GLY A 2 -0.635 -8.637 5.240 1.00 0.00 C ATOM 13 O GLY A 2 -0.970 -8.138 6.311 1.00 0.00 O ATOM 0 H GLY A 2 -1.129 -9.668 2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -2.489 -9.368 4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.581 -10.564 5.339 1.00 0.00 H new ATOM 17 N SER A 3 0.435 -8.213 4.560 1.00 0.00 N ATOM 18 CA SER A 3 1.336 -7.169 5.015 1.00 0.00 C ATOM 19 C SER A 3 0.682 -5.785 4.864 1.00 0.00 C ATOM 20 O SER A 3 1.137 -4.938 4.100 1.00 0.00 O ATOM 21 CB SER A 3 2.652 -7.303 4.228 1.00 0.00 C ATOM 22 OG SER A 3 2.775 -8.612 3.684 1.00 0.00 O ATOM 0 H SER A 3 0.698 -8.602 3.655 1.00 0.00 H new ATOM 0 HA SER A 3 1.555 -7.277 6.077 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.680 -6.565 3.426 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.498 -7.094 4.883 1.00 0.00 H new ATOM 0 HG SER A 3 3.616 -8.681 3.185 1.00 0.00 H new ATOM 28 N VAL A 4 -0.407 -5.565 5.598 1.00 0.00 N ATOM 29 CA VAL A 4 -1.143 -4.314 5.629 1.00 0.00 C ATOM 30 C VAL A 4 -0.354 -3.387 6.550 1.00 0.00 C ATOM 31 O VAL A 4 -0.612 -3.344 7.751 1.00 0.00 O ATOM 32 CB VAL A 4 -2.559 -4.574 6.169 1.00 0.00 C ATOM 33 CG1 VAL A 4 -3.307 -3.254 6.400 1.00 0.00 C ATOM 34 CG2 VAL A 4 -3.334 -5.482 5.207 1.00 0.00 C ATOM 0 H VAL A 4 -0.810 -6.279 6.205 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.252 -3.866 4.641 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.475 -5.081 7.130 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.306 -3.464 6.782 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.762 -2.649 7.124 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -3.385 -2.711 5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.335 -5.659 5.600 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.407 -5.001 4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.812 -6.433 5.104 1.00 0.00 H new ATOM 44 N ILE A 5 0.641 -2.685 6.009 1.00 0.00 N ATOM 45 CA ILE A 5 1.488 -1.806 6.804 1.00 0.00 C ATOM 46 C ILE A 5 1.898 -0.568 6.013 1.00 0.00 C ATOM 47 O ILE A 5 1.735 -0.499 4.791 1.00 0.00 O ATOM 48 CB ILE A 5 2.746 -2.556 7.301 1.00 0.00 C ATOM 49 CG1 ILE A 5 3.567 -3.136 6.134 1.00 0.00 C ATOM 50 CG2 ILE A 5 2.381 -3.679 8.283 1.00 0.00 C ATOM 51 CD1 ILE A 5 5.027 -3.343 6.551 1.00 0.00 C ATOM 0 H ILE A 5 0.879 -2.711 5.017 1.00 0.00 H new ATOM 0 HA ILE A 5 0.906 -1.484 7.668 1.00 0.00 H new ATOM 0 HB ILE A 5 3.359 -1.819 7.821 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.136 -4.085 5.816 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.520 -2.462 5.279 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.289 -4.184 8.612 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.869 -3.255 9.147 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.725 -4.396 7.789 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.590 -3.753 5.713 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.460 -2.387 6.846 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.071 -4.036 7.391 1.00 0.00 H new ATOM 63 N VAL A 6 2.445 0.402 6.747 1.00 0.00 N ATOM 64 CA VAL A 6 3.026 1.619 6.229 1.00 0.00 C ATOM 65 C VAL A 6 4.521 1.528 6.492 1.00 0.00 C ATOM 66 O VAL A 6 4.918 1.096 7.573 1.00 0.00 O ATOM 67 CB VAL A 6 2.353 2.853 6.858 1.00 0.00 C ATOM 68 CG1 VAL A 6 2.472 2.909 8.387 1.00 0.00 C ATOM 69 CG2 VAL A 6 2.924 4.140 6.254 1.00 0.00 C ATOM 0 H VAL A 6 2.492 0.348 7.764 1.00 0.00 H new ATOM 0 HA VAL A 6 2.862 1.734 5.158 1.00 0.00 H new ATOM 0 HB VAL A 6 1.292 2.763 6.626 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.975 3.805 8.758 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.001 2.027 8.821 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.524 2.935 8.669 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.438 5.003 6.709 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.996 4.186 6.443 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.745 4.148 5.179 1.00 0.00 H new ATOM 79 N ILE A 7 5.345 1.867 5.497 1.00 0.00 N ATOM 80 CA ILE A 7 6.783 1.759 5.646 1.00 0.00 C ATOM 81 C ILE A 7 7.491 2.752 4.728 1.00 0.00 C ATOM 82 O ILE A 7 6.913 3.290 3.779 1.00 0.00 O ATOM 83 CB ILE A 7 7.193 0.287 5.429 1.00 0.00 C ATOM 84 CG1 ILE A 7 8.577 -0.009 6.037 1.00 0.00 C ATOM 85 CG2 ILE A 7 7.164 -0.102 3.943 1.00 0.00 C ATOM 86 CD1 ILE A 7 8.569 -1.379 6.718 1.00 0.00 C ATOM 0 H ILE A 7 5.036 2.215 4.589 1.00 0.00 H new ATOM 0 HA ILE A 7 7.096 2.032 6.654 1.00 0.00 H new ATOM 0 HB ILE A 7 6.455 -0.324 5.948 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.338 0.014 5.257 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.838 0.764 6.760 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.459 -1.146 3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 7 6.156 0.033 3.551 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.857 0.531 3.388 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.552 -1.579 7.145 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.821 -1.387 7.511 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.329 -2.149 5.984 1.00 0.00 H new ATOM 98 N ASP A 8 8.764 2.988 5.041 1.00 0.00 N ATOM 99 CA ASP A 8 9.630 3.971 4.418 1.00 0.00 C ATOM 100 C ASP A 8 10.945 3.367 3.921 1.00 0.00 C ATOM 101 O ASP A 8 11.863 4.109 3.585 1.00 0.00 O ATOM 102 CB ASP A 8 9.941 5.014 5.504 1.00 0.00 C ATOM 103 CG ASP A 8 10.831 4.457 6.625 1.00 0.00 C ATOM 104 OD1 ASP A 8 10.907 3.211 6.753 1.00 0.00 O ATOM 105 OD2 ASP A 8 11.419 5.295 7.341 1.00 0.00 O ATOM 0 H ASP A 8 9.239 2.466 5.778 1.00 0.00 H new ATOM 0 HA ASP A 8 9.131 4.394 3.547 1.00 0.00 H new ATOM 0 HB2 ASP A 8 10.434 5.872 5.047 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.006 5.375 5.933 1.00 0.00 H new ATOM 110 N SER A 9 11.049 2.035 3.886 1.00 0.00 N ATOM 111 CA SER A 9 12.287 1.351 3.554 1.00 0.00 C ATOM 112 C SER A 9 12.102 0.388 2.386 1.00 0.00 C ATOM 113 O SER A 9 11.428 -0.634 2.513 1.00 0.00 O ATOM 114 CB SER A 9 12.767 0.588 4.786 1.00 0.00 C ATOM 115 OG SER A 9 12.943 1.468 5.885 1.00 0.00 O ATOM 0 H SER A 9 10.272 1.406 4.089 1.00 0.00 H new ATOM 0 HA SER A 9 13.027 2.092 3.251 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.044 -0.185 5.045 1.00 0.00 H new ATOM 0 HB3 SER A 9 13.707 0.083 4.564 1.00 0.00 H new ATOM 0 HG SER A 9 12.091 1.905 6.094 1.00 0.00 H new ATOM 121 N LYS A 10 12.765 0.693 1.269 1.00 0.00 N ATOM 122 CA LYS A 10 12.785 -0.120 0.061 1.00 0.00 C ATOM 123 C LYS A 10 13.068 -1.593 0.372 1.00 0.00 C ATOM 124 O LYS A 10 12.465 -2.501 -0.192 1.00 0.00 O ATOM 125 CB LYS A 10 13.844 0.464 -0.878 1.00 0.00 C ATOM 126 CG LYS A 10 15.285 0.495 -0.339 1.00 0.00 C ATOM 127 CD LYS A 10 16.218 1.301 -1.254 1.00 0.00 C ATOM 128 CE LYS A 10 16.361 0.673 -2.646 1.00 0.00 C ATOM 129 NZ LYS A 10 17.391 1.365 -3.442 1.00 0.00 N ATOM 0 H LYS A 10 13.321 1.544 1.182 1.00 0.00 H new ATOM 0 HA LYS A 10 11.805 -0.095 -0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.836 -0.112 -1.804 1.00 0.00 H new ATOM 0 HB3 LYS A 10 13.552 1.482 -1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.290 0.931 0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 10 15.660 -0.524 -0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 10 15.835 2.316 -1.355 1.00 0.00 H new ATOM 0 HD3 LYS A 10 17.201 1.376 -0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 10 16.622 -0.381 -2.547 1.00 0.00 H new ATOM 0 HE3 LYS A 10 15.405 0.717 -3.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 17.465 0.918 -4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 17.128 2.365 -3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 18.307 1.301 -2.955 1.00 0.00 H new ATOM 143 N ALA A 11 13.994 -1.811 1.301 1.00 0.00 N ATOM 144 CA ALA A 11 14.384 -3.133 1.770 1.00 0.00 C ATOM 145 C ALA A 11 13.166 -3.927 2.254 1.00 0.00 C ATOM 146 O ALA A 11 13.044 -5.114 1.962 1.00 0.00 O ATOM 147 CB ALA A 11 15.410 -2.985 2.896 1.00 0.00 C ATOM 0 H ALA A 11 14.504 -1.055 1.758 1.00 0.00 H new ATOM 0 HA ALA A 11 14.829 -3.685 0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.706 -3.972 3.251 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.287 -2.456 2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 11 14.969 -2.421 3.718 1.00 0.00 H new ATOM 153 N ALA A 12 12.252 -3.281 2.986 1.00 0.00 N ATOM 154 CA ALA A 12 11.060 -3.945 3.490 1.00 0.00 C ATOM 155 C ALA A 12 10.112 -4.255 2.333 1.00 0.00 C ATOM 156 O ALA A 12 9.461 -5.298 2.323 1.00 0.00 O ATOM 157 CB ALA A 12 10.374 -3.068 4.534 1.00 0.00 C ATOM 0 H ALA A 12 12.322 -2.296 3.240 1.00 0.00 H new ATOM 0 HA ALA A 12 11.344 -4.884 3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.483 -3.574 4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.059 -2.885 5.362 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.090 -2.118 4.081 1.00 0.00 H new ATOM 163 N TRP A 13 9.999 -3.328 1.377 1.00 0.00 N ATOM 164 CA TRP A 13 9.208 -3.527 0.166 1.00 0.00 C ATOM 165 C TRP A 13 9.703 -4.810 -0.516 1.00 0.00 C ATOM 166 O TRP A 13 8.918 -5.714 -0.799 1.00 0.00 O ATOM 167 CB TRP A 13 9.307 -2.259 -0.714 1.00 0.00 C ATOM 168 CG TRP A 13 9.404 -2.394 -2.211 1.00 0.00 C ATOM 169 CD1 TRP A 13 10.499 -2.787 -2.904 1.00 0.00 C ATOM 170 CD2 TRP A 13 8.434 -1.999 -3.227 1.00 0.00 C ATOM 171 NE1 TRP A 13 10.252 -2.749 -4.257 1.00 0.00 N ATOM 172 CE2 TRP A 13 8.997 -2.246 -4.515 1.00 0.00 C ATOM 173 CE3 TRP A 13 7.149 -1.419 -3.196 1.00 0.00 C ATOM 174 CZ2 TRP A 13 8.314 -1.963 -5.704 1.00 0.00 C ATOM 175 CZ3 TRP A 13 6.474 -1.092 -4.386 1.00 0.00 C ATOM 176 CH2 TRP A 13 7.040 -1.381 -5.639 1.00 0.00 C ATOM 0 H TRP A 13 10.456 -2.417 1.424 1.00 0.00 H new ATOM 0 HA TRP A 13 8.147 -3.664 0.376 1.00 0.00 H new ATOM 0 HB2 TRP A 13 8.433 -1.644 -0.499 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.181 -1.699 -0.380 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.435 -3.088 -2.457 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.911 -3.053 -4.974 1.00 0.00 H new ATOM 0 HE3 TRP A 13 6.676 -1.223 -2.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 8.763 -2.190 -6.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 5.508 -0.612 -4.336 1.00 0.00 H new ATOM 0 HH2 TRP A 13 6.498 -1.156 -6.546 1.00 0.00 H new ATOM 187 N ASP A 14 11.022 -4.903 -0.713 1.00 0.00 N ATOM 188 CA ASP A 14 11.672 -6.040 -1.351 1.00 0.00 C ATOM 189 C ASP A 14 11.406 -7.320 -0.569 1.00 0.00 C ATOM 190 O ASP A 14 11.000 -8.337 -1.125 1.00 0.00 O ATOM 191 CB ASP A 14 13.176 -5.784 -1.427 1.00 0.00 C ATOM 192 CG ASP A 14 13.862 -6.833 -2.290 1.00 0.00 C ATOM 193 OD1 ASP A 14 13.814 -6.664 -3.527 1.00 0.00 O ATOM 194 OD2 ASP A 14 14.421 -7.779 -1.696 1.00 0.00 O ATOM 0 H ASP A 14 11.675 -4.174 -0.426 1.00 0.00 H new ATOM 0 HA ASP A 14 11.267 -6.160 -2.356 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.360 -4.792 -1.839 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.602 -5.797 -0.424 1.00 0.00 H new ATOM 199 N ALA A 15 11.639 -7.251 0.742 1.00 0.00 N ATOM 200 CA ALA A 15 11.427 -8.371 1.644 1.00 0.00 C ATOM 201 C ALA A 15 10.015 -8.924 1.467 1.00 0.00 C ATOM 202 O ALA A 15 9.847 -10.101 1.155 1.00 0.00 O ATOM 203 CB ALA A 15 11.683 -7.945 3.092 1.00 0.00 C ATOM 0 H ALA A 15 11.982 -6.410 1.205 1.00 0.00 H new ATOM 0 HA ALA A 15 12.134 -9.164 1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.520 -8.794 3.755 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.711 -7.598 3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.000 -7.139 3.360 1.00 0.00 H new ATOM 209 N GLN A 16 9.005 -8.068 1.643 1.00 0.00 N ATOM 210 CA GLN A 16 7.599 -8.435 1.487 1.00 0.00 C ATOM 211 C GLN A 16 7.365 -9.055 0.112 1.00 0.00 C ATOM 212 O GLN A 16 6.725 -10.104 0.022 1.00 0.00 O ATOM 213 CB GLN A 16 6.724 -7.200 1.700 1.00 0.00 C ATOM 214 CG GLN A 16 6.708 -6.849 3.191 1.00 0.00 C ATOM 215 CD GLN A 16 6.106 -5.473 3.425 1.00 0.00 C ATOM 216 OE1 GLN A 16 4.982 -5.347 3.894 1.00 0.00 O ATOM 217 NE2 GLN A 16 6.860 -4.434 3.094 1.00 0.00 N ATOM 0 H GLN A 16 9.144 -7.091 1.900 1.00 0.00 H new ATOM 0 HA GLN A 16 7.329 -9.181 2.235 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.110 -6.361 1.120 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.710 -7.392 1.348 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.134 -7.598 3.737 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.724 -6.876 3.585 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.792 -4.583 2.706 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.509 -3.486 3.227 1.00 0.00 H new ATOM 226 N LEU A 17 7.930 -8.437 -0.933 1.00 0.00 N ATOM 227 CA LEU A 17 7.871 -8.934 -2.307 1.00 0.00 C ATOM 228 C LEU A 17 8.295 -10.407 -2.406 1.00 0.00 C ATOM 229 O LEU A 17 7.919 -11.085 -3.359 1.00 0.00 O ATOM 230 CB LEU A 17 8.730 -8.048 -3.235 1.00 0.00 C ATOM 231 CG LEU A 17 7.838 -7.250 -4.193 1.00 0.00 C ATOM 232 CD1 LEU A 17 8.563 -6.028 -4.767 1.00 0.00 C ATOM 233 CD2 LEU A 17 7.373 -8.135 -5.355 1.00 0.00 C ATOM 0 H LEU A 17 8.449 -7.563 -0.842 1.00 0.00 H new ATOM 0 HA LEU A 17 6.832 -8.880 -2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.335 -7.365 -2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.420 -8.670 -3.805 1.00 0.00 H new ATOM 0 HG LEU A 17 6.981 -6.907 -3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.895 -5.492 -5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.864 -5.368 -3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.446 -6.354 -5.316 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.741 -7.553 -6.025 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.241 -8.502 -5.903 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.806 -8.980 -4.964 1.00 0.00 H new ATOM 245 N ALA A 18 9.077 -10.907 -1.446 1.00 0.00 N ATOM 246 CA ALA A 18 9.463 -12.306 -1.370 1.00 0.00 C ATOM 247 C ALA A 18 8.636 -13.039 -0.301 1.00 0.00 C ATOM 248 O ALA A 18 7.797 -13.882 -0.625 1.00 0.00 O ATOM 249 CB ALA A 18 10.967 -12.401 -1.083 1.00 0.00 C ATOM 0 H ALA A 18 9.462 -10.338 -0.692 1.00 0.00 H new ATOM 0 HA ALA A 18 9.260 -12.793 -2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.261 -13.449 -1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 18 11.522 -11.912 -1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 18 11.188 -11.909 -0.136 1.00 0.00 H new ATOM 255 N LYS A 19 8.848 -12.714 0.980 1.00 0.00 N ATOM 256 CA LYS A 19 8.265 -13.456 2.095 1.00 0.00 C ATOM 257 C LYS A 19 6.735 -13.439 2.119 1.00 0.00 C ATOM 258 O LYS A 19 6.134 -14.326 2.722 1.00 0.00 O ATOM 259 CB LYS A 19 8.843 -12.955 3.428 1.00 0.00 C ATOM 260 CG LYS A 19 8.369 -11.554 3.829 1.00 0.00 C ATOM 261 CD LYS A 19 9.073 -11.031 5.090 1.00 0.00 C ATOM 262 CE LYS A 19 8.860 -11.911 6.330 1.00 0.00 C ATOM 263 NZ LYS A 19 7.432 -12.126 6.621 1.00 0.00 N ATOM 0 H LYS A 19 9.430 -11.928 1.269 1.00 0.00 H new ATOM 0 HA LYS A 19 8.542 -14.500 1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.572 -13.658 4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.931 -12.954 3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.548 -10.864 3.005 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.293 -11.574 4.000 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.142 -10.952 4.892 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.713 -10.025 5.304 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.347 -12.874 6.178 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.338 -11.444 7.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.335 -12.653 7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.953 -11.207 6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.998 -12.670 5.848 1.00 0.00 H new ATOM 277 N GLY A 20 6.093 -12.449 1.493 1.00 0.00 N ATOM 278 CA GLY A 20 4.644 -12.361 1.482 1.00 0.00 C ATOM 279 C GLY A 20 3.982 -13.475 0.659 1.00 0.00 C ATOM 280 O GLY A 20 2.764 -13.647 0.770 1.00 0.00 O ATOM 0 H GLY A 20 6.563 -11.698 0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.275 -12.406 2.507 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.347 -11.393 1.078 1.00 0.00 H new ATOM 284 N LYS A 21 4.758 -14.222 -0.146 1.00 0.00 N ATOM 285 CA LYS A 21 4.262 -15.288 -1.015 1.00 0.00 C ATOM 286 C LYS A 21 3.261 -14.668 -1.990 1.00 0.00 C ATOM 287 O LYS A 21 2.056 -14.920 -1.949 1.00 0.00 O ATOM 288 CB LYS A 21 3.677 -16.452 -0.196 1.00 0.00 C ATOM 289 CG LYS A 21 4.725 -16.999 0.782 1.00 0.00 C ATOM 290 CD LYS A 21 4.186 -18.211 1.551 1.00 0.00 C ATOM 291 CE LYS A 21 5.244 -18.779 2.507 1.00 0.00 C ATOM 292 NZ LYS A 21 5.638 -17.804 3.543 1.00 0.00 N ATOM 0 H LYS A 21 5.768 -14.094 -0.207 1.00 0.00 H new ATOM 0 HA LYS A 21 5.077 -15.731 -1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.799 -16.113 0.354 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.346 -17.246 -0.866 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.624 -17.283 0.235 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.013 -16.218 1.485 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.300 -17.921 2.116 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.877 -18.983 0.847 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.854 -19.678 2.985 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.124 -19.077 1.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.207 -18.282 4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.199 -17.044 3.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.786 -17.399 3.980 1.00 0.00 H new ATOM 306 N GLU A 22 3.808 -13.851 -2.891 1.00 0.00 N ATOM 307 CA GLU A 22 3.066 -13.019 -3.819 1.00 0.00 C ATOM 308 C GLU A 22 2.533 -13.769 -5.048 1.00 0.00 C ATOM 309 O GLU A 22 1.894 -13.126 -5.875 1.00 0.00 O ATOM 310 CB GLU A 22 3.978 -11.869 -4.276 1.00 0.00 C ATOM 311 CG GLU A 22 4.912 -11.255 -3.223 1.00 0.00 C ATOM 312 CD GLU A 22 4.192 -10.602 -2.054 1.00 0.00 C ATOM 313 OE1 GLU A 22 3.530 -11.351 -1.306 1.00 0.00 O ATOM 314 OE2 GLU A 22 4.321 -9.365 -1.920 1.00 0.00 O ATOM 0 H GLU A 22 4.818 -13.752 -2.992 1.00 0.00 H new ATOM 0 HA GLU A 22 2.187 -12.655 -3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.591 -12.231 -5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.347 -11.074 -4.673 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.571 -12.034 -2.840 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.546 -10.511 -3.706 1.00 0.00 H new ATOM 321 N GLU A 23 2.754 -15.092 -5.131 1.00 0.00 N ATOM 322 CA GLU A 23 2.431 -16.031 -6.211 1.00 0.00 C ATOM 323 C GLU A 23 1.524 -15.433 -7.294 1.00 0.00 C ATOM 324 O GLU A 23 1.922 -15.309 -8.449 1.00 0.00 O ATOM 325 CB GLU A 23 1.815 -17.292 -5.577 1.00 0.00 C ATOM 326 CG GLU A 23 1.525 -18.408 -6.593 1.00 0.00 C ATOM 327 CD GLU A 23 2.784 -18.904 -7.300 1.00 0.00 C ATOM 328 OE1 GLU A 23 3.752 -19.224 -6.576 1.00 0.00 O ATOM 329 OE2 GLU A 23 2.752 -18.960 -8.548 1.00 0.00 O ATOM 0 H GLU A 23 3.212 -15.578 -4.360 1.00 0.00 H new ATOM 0 HA GLU A 23 3.351 -16.283 -6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.493 -17.674 -4.813 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.888 -17.020 -5.073 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.047 -19.244 -6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.816 -18.042 -7.336 1.00 0.00 H new ATOM 336 N HIS A 24 0.287 -15.110 -6.916 1.00 0.00 N ATOM 337 CA HIS A 24 -0.679 -14.437 -7.763 1.00 0.00 C ATOM 338 C HIS A 24 -1.513 -13.548 -6.840 1.00 0.00 C ATOM 339 O HIS A 24 -2.725 -13.702 -6.726 1.00 0.00 O ATOM 340 CB HIS A 24 -1.509 -15.477 -8.528 1.00 0.00 C ATOM 341 CG HIS A 24 -2.470 -14.859 -9.509 1.00 0.00 C ATOM 342 ND1 HIS A 24 -2.078 -14.509 -10.801 1.00 0.00 N ATOM 343 CD2 HIS A 24 -3.784 -14.520 -9.338 1.00 0.00 C ATOM 344 CE1 HIS A 24 -3.172 -13.980 -11.358 1.00 0.00 C ATOM 345 NE2 HIS A 24 -4.217 -13.949 -10.516 1.00 0.00 N ATOM 0 H HIS A 24 -0.074 -15.318 -5.985 1.00 0.00 H new ATOM 0 HA HIS A 24 -0.213 -13.816 -8.528 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -0.837 -16.149 -9.061 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.067 -16.084 -7.815 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -4.373 -14.671 -8.446 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -3.211 -13.617 -12.374 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -5.147 -13.577 -10.709 1.00 0.00 H new ATOM 353 N LYS A 25 -0.836 -12.652 -6.117 1.00 0.00 N ATOM 354 CA LYS A 25 -1.443 -11.761 -5.140 1.00 0.00 C ATOM 355 C LYS A 25 -1.218 -10.308 -5.572 1.00 0.00 C ATOM 356 O LYS A 25 -0.107 -9.973 -5.995 1.00 0.00 O ATOM 357 CB LYS A 25 -0.795 -11.984 -3.764 1.00 0.00 C ATOM 358 CG LYS A 25 -0.593 -13.450 -3.355 1.00 0.00 C ATOM 359 CD LYS A 25 -1.898 -14.241 -3.221 1.00 0.00 C ATOM 360 CE LYS A 25 -1.619 -15.727 -2.954 1.00 0.00 C ATOM 361 NZ LYS A 25 -0.741 -15.936 -1.787 1.00 0.00 N ATOM 0 H LYS A 25 0.173 -12.528 -6.201 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.511 -11.968 -5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.175 -11.486 -3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.412 -11.497 -3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.043 -13.939 -4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.061 -13.482 -2.404 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.495 -13.828 -2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.486 -14.136 -4.133 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.563 -16.247 -2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.157 -16.171 -3.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.706 -16.949 -1.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.217 -15.598 -2.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.115 -15.408 -0.972 1.00 0.00 H new ATOM 375 N PRO A 26 -2.235 -9.433 -5.480 1.00 0.00 N ATOM 376 CA PRO A 26 -2.079 -8.033 -5.813 1.00 0.00 C ATOM 377 C PRO A 26 -1.296 -7.300 -4.721 1.00 0.00 C ATOM 378 O PRO A 26 -1.747 -7.184 -3.577 1.00 0.00 O ATOM 379 CB PRO A 26 -3.502 -7.487 -5.975 1.00 0.00 C ATOM 380 CG PRO A 26 -4.307 -8.351 -5.010 1.00 0.00 C ATOM 381 CD PRO A 26 -3.625 -9.716 -5.151 1.00 0.00 C ATOM 0 HA PRO A 26 -1.506 -7.889 -6.729 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.561 -6.430 -5.717 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.859 -7.586 -7.000 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.257 -7.975 -3.988 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.361 -8.393 -5.283 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.699 -10.288 -4.226 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.098 -10.311 -5.932 1.00 0.00 H new ATOM 389 N ILE A 27 -0.106 -6.816 -5.078 1.00 0.00 N ATOM 390 CA ILE A 27 0.683 -5.956 -4.221 1.00 0.00 C ATOM 391 C ILE A 27 0.151 -4.563 -4.531 1.00 0.00 C ATOM 392 O ILE A 27 0.492 -3.984 -5.564 1.00 0.00 O ATOM 393 CB ILE A 27 2.188 -6.088 -4.499 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.648 -7.548 -4.359 1.00 0.00 C ATOM 395 CG2 ILE A 27 2.971 -5.192 -3.528 1.00 0.00 C ATOM 396 CD1 ILE A 27 3.998 -7.780 -5.034 1.00 0.00 C ATOM 0 H ILE A 27 0.333 -7.016 -5.977 1.00 0.00 H new ATOM 0 HA ILE A 27 0.591 -6.210 -3.165 1.00 0.00 H new ATOM 0 HB ILE A 27 2.381 -5.770 -5.524 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.719 -7.808 -3.303 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.902 -8.209 -4.800 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.039 -5.287 -3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.667 -4.154 -3.665 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.764 -5.498 -2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.290 -8.823 -4.914 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.919 -7.545 -6.095 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.749 -7.138 -4.575 1.00 0.00 H new ATOM 408 N VAL A 28 -0.748 -4.071 -3.681 1.00 0.00 N ATOM 409 CA VAL A 28 -1.388 -2.783 -3.860 1.00 0.00 C ATOM 410 C VAL A 28 -0.481 -1.764 -3.182 1.00 0.00 C ATOM 411 O VAL A 28 -0.266 -1.846 -1.975 1.00 0.00 O ATOM 412 CB VAL A 28 -2.809 -2.770 -3.265 1.00 0.00 C ATOM 413 CG1 VAL A 28 -3.584 -1.597 -3.878 1.00 0.00 C ATOM 414 CG2 VAL A 28 -3.581 -4.066 -3.543 1.00 0.00 C ATOM 0 H VAL A 28 -1.051 -4.566 -2.842 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.515 -2.549 -4.917 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.713 -2.671 -2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.593 -1.573 -3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.075 -0.662 -3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.636 -1.721 -4.960 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.575 -4.000 -3.100 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.672 -4.211 -4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.045 -4.909 -3.107 1.00 0.00 H new ATOM 424 N VAL A 29 0.079 -0.826 -3.940 1.00 0.00 N ATOM 425 CA VAL A 29 1.009 0.144 -3.392 1.00 0.00 C ATOM 426 C VAL A 29 0.352 1.508 -3.298 1.00 0.00 C ATOM 427 O VAL A 29 0.040 2.099 -4.329 1.00 0.00 O ATOM 428 CB VAL A 29 2.275 0.270 -4.244 1.00 0.00 C ATOM 429 CG1 VAL A 29 3.351 0.887 -3.342 1.00 0.00 C ATOM 430 CG2 VAL A 29 2.722 -1.073 -4.818 1.00 0.00 C ATOM 0 H VAL A 29 -0.099 -0.721 -4.939 1.00 0.00 H new ATOM 0 HA VAL A 29 1.290 -0.212 -2.401 1.00 0.00 H new ATOM 0 HB VAL A 29 2.086 0.901 -5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.278 0.998 -3.905 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.018 1.865 -2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.523 0.237 -2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.623 -0.932 -5.414 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.931 -1.766 -4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.931 -1.481 -5.447 1.00 0.00 H new ATOM 440 N ASP A 30 0.172 2.004 -2.077 1.00 0.00 N ATOM 441 CA ASP A 30 -0.290 3.353 -1.810 1.00 0.00 C ATOM 442 C ASP A 30 0.972 4.197 -1.655 1.00 0.00 C ATOM 443 O ASP A 30 1.497 4.349 -0.552 1.00 0.00 O ATOM 444 CB ASP A 30 -1.169 3.354 -0.558 1.00 0.00 C ATOM 445 CG ASP A 30 -1.488 4.745 -0.040 1.00 0.00 C ATOM 446 OD1 ASP A 30 -1.587 5.658 -0.888 1.00 0.00 O ATOM 447 OD2 ASP A 30 -1.658 4.861 1.193 1.00 0.00 O ATOM 0 H ASP A 30 0.349 1.463 -1.230 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.909 3.761 -2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.102 2.835 -0.779 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.668 2.789 0.228 1.00 0.00 H new ATOM 452 N PHE A 31 1.501 4.679 -2.780 1.00 0.00 N ATOM 453 CA PHE A 31 2.665 5.548 -2.799 1.00 0.00 C ATOM 454 C PHE A 31 2.142 6.941 -2.451 1.00 0.00 C ATOM 455 O PHE A 31 1.479 7.557 -3.289 1.00 0.00 O ATOM 456 CB PHE A 31 3.288 5.526 -4.198 1.00 0.00 C ATOM 457 CG PHE A 31 4.005 4.255 -4.616 1.00 0.00 C ATOM 458 CD1 PHE A 31 5.335 4.043 -4.207 1.00 0.00 C ATOM 459 CD2 PHE A 31 3.462 3.454 -5.639 1.00 0.00 C ATOM 460 CE1 PHE A 31 6.150 3.121 -4.886 1.00 0.00 C ATOM 461 CE2 PHE A 31 4.277 2.528 -6.315 1.00 0.00 C ATOM 462 CZ PHE A 31 5.633 2.395 -5.973 1.00 0.00 C ATOM 0 H PHE A 31 1.127 4.473 -3.706 1.00 0.00 H new ATOM 0 HA PHE A 31 3.436 5.235 -2.095 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.498 5.723 -4.923 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.996 6.352 -4.266 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.732 4.592 -3.366 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.420 3.551 -5.905 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.173 2.970 -4.573 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.858 1.916 -7.101 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.275 1.739 -6.542 1.00 0.00 H new ATOM 472 N THR A 32 2.392 7.437 -1.233 1.00 0.00 N ATOM 473 CA THR A 32 1.774 8.672 -0.774 1.00 0.00 C ATOM 474 C THR A 32 2.451 9.226 0.490 1.00 0.00 C ATOM 475 O THR A 32 3.591 8.887 0.804 1.00 0.00 O ATOM 476 CB THR A 32 0.278 8.367 -0.527 1.00 0.00 C ATOM 477 OG1 THR A 32 -0.438 9.572 -0.422 1.00 0.00 O ATOM 478 CG2 THR A 32 0.027 7.534 0.738 1.00 0.00 C ATOM 0 H THR A 32 3.016 6.999 -0.555 1.00 0.00 H new ATOM 0 HA THR A 32 1.890 9.449 -1.530 1.00 0.00 H new ATOM 0 HB THR A 32 -0.061 7.777 -1.378 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.342 10.083 -1.252 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.043 7.357 0.851 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.546 6.579 0.654 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.399 8.074 1.609 1.00 0.00 H new ATOM 486 N ALA A 33 1.712 10.084 1.200 1.00 0.00 N ATOM 487 CA ALA A 33 2.016 10.659 2.503 1.00 0.00 C ATOM 488 C ALA A 33 3.259 11.554 2.475 1.00 0.00 C ATOM 489 O ALA A 33 3.407 12.388 1.580 1.00 0.00 O ATOM 490 CB ALA A 33 2.098 9.528 3.542 1.00 0.00 C ATOM 0 H ALA A 33 0.816 10.417 0.845 1.00 0.00 H new ATOM 0 HA ALA A 33 1.209 11.331 2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.325 9.949 4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.143 9.004 3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.884 8.828 3.257 1.00 0.00 H new ATOM 496 N THR A 34 4.143 11.409 3.466 1.00 0.00 N ATOM 497 CA THR A 34 5.335 12.218 3.677 1.00 0.00 C ATOM 498 C THR A 34 4.945 13.700 3.737 1.00 0.00 C ATOM 499 O THR A 34 4.335 14.128 4.715 1.00 0.00 O ATOM 500 CB THR A 34 6.426 11.874 2.643 1.00 0.00 C ATOM 501 OG1 THR A 34 6.092 12.250 1.320 1.00 0.00 O ATOM 502 CG2 THR A 34 6.670 10.365 2.682 1.00 0.00 C ATOM 0 H THR A 34 4.036 10.685 4.177 1.00 0.00 H new ATOM 0 HA THR A 34 5.789 11.985 4.640 1.00 0.00 H new ATOM 0 HB THR A 34 7.317 12.440 2.914 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.132 12.437 1.266 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.440 10.102 1.956 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.998 10.075 3.680 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.746 9.841 2.437 1.00 0.00 H new ATOM 510 N TRP A 35 5.263 14.475 2.703 1.00 0.00 N ATOM 511 CA TRP A 35 4.941 15.892 2.649 1.00 0.00 C ATOM 512 C TRP A 35 3.442 16.118 2.421 1.00 0.00 C ATOM 513 O TRP A 35 2.906 17.159 2.803 1.00 0.00 O ATOM 514 CB TRP A 35 5.769 16.550 1.536 1.00 0.00 C ATOM 515 CG TRP A 35 5.506 16.062 0.142 1.00 0.00 C ATOM 516 CD1 TRP A 35 6.233 15.133 -0.520 1.00 0.00 C ATOM 517 CD2 TRP A 35 4.446 16.465 -0.777 1.00 0.00 C ATOM 518 NE1 TRP A 35 5.702 14.930 -1.777 1.00 0.00 N ATOM 519 CE2 TRP A 35 4.590 15.723 -1.985 1.00 0.00 C ATOM 520 CE3 TRP A 35 3.374 17.382 -0.712 1.00 0.00 C ATOM 521 CZ2 TRP A 35 3.713 15.878 -3.069 1.00 0.00 C ATOM 522 CZ3 TRP A 35 2.475 17.527 -1.784 1.00 0.00 C ATOM 523 CH2 TRP A 35 2.641 16.777 -2.961 1.00 0.00 C ATOM 0 H TRP A 35 5.754 14.133 1.877 1.00 0.00 H new ATOM 0 HA TRP A 35 5.190 16.348 3.607 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.588 17.625 1.563 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.825 16.399 1.759 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.100 14.626 -0.124 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.081 14.279 -2.464 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.242 17.982 0.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.861 15.312 -3.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 1.651 18.220 -1.702 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.946 16.892 -3.779 1.00 0.00 H new ATOM 534 N CYS A 36 2.749 15.167 1.785 1.00 0.00 N ATOM 535 CA CYS A 36 1.342 15.341 1.452 1.00 0.00 C ATOM 536 C CYS A 36 0.463 15.211 2.696 1.00 0.00 C ATOM 537 O CYS A 36 -0.104 14.156 2.972 1.00 0.00 O ATOM 538 CB CYS A 36 0.924 14.349 0.370 1.00 0.00 C ATOM 539 SG CYS A 36 -0.806 14.550 -0.115 1.00 0.00 S ATOM 0 H CYS A 36 3.144 14.273 1.494 1.00 0.00 H new ATOM 0 HA CYS A 36 1.204 16.348 1.059 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.561 14.479 -0.505 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.082 13.333 0.731 1.00 0.00 H new ATOM 544 N GLY A 37 0.343 16.302 3.454 1.00 0.00 N ATOM 545 CA GLY A 37 -0.513 16.386 4.632 1.00 0.00 C ATOM 546 C GLY A 37 -1.923 15.841 4.358 1.00 0.00 C ATOM 547 O GLY A 37 -2.362 14.922 5.043 1.00 0.00 O ATOM 0 H GLY A 37 0.849 17.166 3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.060 15.826 5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.582 17.424 4.957 1.00 0.00 H new ATOM 551 N PRO A 38 -2.648 16.369 3.357 1.00 0.00 N ATOM 552 CA PRO A 38 -3.991 15.908 3.020 1.00 0.00 C ATOM 553 C PRO A 38 -4.083 14.394 2.822 1.00 0.00 C ATOM 554 O PRO A 38 -5.062 13.766 3.223 1.00 0.00 O ATOM 555 CB PRO A 38 -4.367 16.664 1.742 1.00 0.00 C ATOM 556 CG PRO A 38 -3.578 17.966 1.874 1.00 0.00 C ATOM 557 CD PRO A 38 -2.276 17.502 2.525 1.00 0.00 C ATOM 0 HA PRO A 38 -4.679 16.110 3.841 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.086 16.110 0.847 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.440 16.846 1.680 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.403 18.434 0.905 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.102 18.697 2.491 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.541 17.214 1.773 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.828 18.298 3.121 1.00 0.00 H new ATOM 565 N CYS A 39 -3.046 13.794 2.232 1.00 0.00 N ATOM 566 CA CYS A 39 -3.024 12.365 1.946 1.00 0.00 C ATOM 567 C CYS A 39 -3.179 11.547 3.227 1.00 0.00 C ATOM 568 O CYS A 39 -3.682 10.424 3.171 1.00 0.00 O ATOM 569 CB CYS A 39 -1.736 11.942 1.237 1.00 0.00 C ATOM 570 SG CYS A 39 -1.438 12.595 -0.428 1.00 0.00 S ATOM 0 H CYS A 39 -2.202 14.287 1.941 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.866 12.169 1.283 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.895 12.233 1.867 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.728 10.854 1.177 1.00 0.00 H new ATOM 575 N LYS A 40 -2.790 12.094 4.385 1.00 0.00 N ATOM 576 CA LYS A 40 -2.933 11.399 5.657 1.00 0.00 C ATOM 577 C LYS A 40 -4.406 11.046 5.928 1.00 0.00 C ATOM 578 O LYS A 40 -4.670 10.158 6.731 1.00 0.00 O ATOM 579 CB LYS A 40 -2.358 12.248 6.800 1.00 0.00 C ATOM 580 CG LYS A 40 -0.894 12.679 6.604 1.00 0.00 C ATOM 581 CD LYS A 40 0.105 11.516 6.572 1.00 0.00 C ATOM 582 CE LYS A 40 1.546 12.050 6.560 1.00 0.00 C ATOM 583 NZ LYS A 40 1.797 12.940 5.411 1.00 0.00 N ATOM 0 H LYS A 40 -2.372 13.021 4.460 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.369 10.468 5.602 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.973 13.140 6.917 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.435 11.683 7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.813 13.238 5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.616 13.360 7.409 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.045 10.875 7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.070 10.902 5.689 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.740 12.591 7.486 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.243 11.212 6.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.810 13.169 5.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.509 12.463 4.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.249 13.817 5.525 1.00 0.00 H new ATOM 597 N MET A 41 -5.362 11.725 5.281 1.00 0.00 N ATOM 598 CA MET A 41 -6.785 11.424 5.400 1.00 0.00 C ATOM 599 C MET A 41 -7.175 10.276 4.466 1.00 0.00 C ATOM 600 O MET A 41 -8.073 9.500 4.775 1.00 0.00 O ATOM 601 CB MET A 41 -7.603 12.674 5.055 1.00 0.00 C ATOM 602 CG MET A 41 -7.237 13.907 5.890 1.00 0.00 C ATOM 603 SD MET A 41 -7.647 13.836 7.656 1.00 0.00 S ATOM 604 CE MET A 41 -6.067 13.319 8.367 1.00 0.00 C ATOM 0 H MET A 41 -5.162 12.505 4.655 1.00 0.00 H new ATOM 0 HA MET A 41 -6.994 11.120 6.426 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.463 12.908 4.000 1.00 0.00 H new ATOM 0 HB3 MET A 41 -8.661 12.454 5.195 1.00 0.00 H new ATOM 0 HG2 MET A 41 -6.165 14.078 5.795 1.00 0.00 H new ATOM 0 HG3 MET A 41 -7.738 14.773 5.458 1.00 0.00 H new ATOM 0 HE1 MET A 41 -6.106 13.420 9.452 1.00 0.00 H new ATOM 0 HE2 MET A 41 -5.874 12.278 8.106 1.00 0.00 H new ATOM 0 HE3 MET A 41 -5.268 13.946 7.972 1.00 0.00 H new ATOM 614 N ILE A 42 -6.498 10.157 3.325 1.00 0.00 N ATOM 615 CA ILE A 42 -6.759 9.111 2.342 1.00 0.00 C ATOM 616 C ILE A 42 -6.112 7.801 2.816 1.00 0.00 C ATOM 617 O ILE A 42 -6.628 6.706 2.580 1.00 0.00 O ATOM 618 CB ILE A 42 -6.244 9.560 0.961 1.00 0.00 C ATOM 619 CG1 ILE A 42 -6.867 10.921 0.583 1.00 0.00 C ATOM 620 CG2 ILE A 42 -6.623 8.491 -0.073 1.00 0.00 C ATOM 621 CD1 ILE A 42 -6.290 11.521 -0.700 1.00 0.00 C ATOM 0 H ILE A 42 -5.746 10.791 3.056 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.830 8.933 2.243 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.161 9.677 0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.944 10.799 0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.714 11.622 1.403 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.265 8.794 -1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.166 7.540 0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.707 8.379 -0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.774 12.476 -0.905 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.218 11.676 -0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.467 10.839 -1.532 1.00 0.00 H new ATOM 633 N ALA A 43 -4.971 7.913 3.500 1.00 0.00 N ATOM 634 CA ALA A 43 -4.240 6.790 4.060 1.00 0.00 C ATOM 635 C ALA A 43 -5.147 5.786 4.808 1.00 0.00 C ATOM 636 O ALA A 43 -5.174 4.616 4.416 1.00 0.00 O ATOM 637 CB ALA A 43 -3.118 7.330 4.957 1.00 0.00 C ATOM 0 H ALA A 43 -4.525 8.812 3.680 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.808 6.218 3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.561 6.496 5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.445 7.950 4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.550 7.927 5.760 1.00 0.00 H new ATOM 643 N PRO A 44 -5.890 6.176 5.864 1.00 0.00 N ATOM 644 CA PRO A 44 -6.762 5.263 6.591 1.00 0.00 C ATOM 645 C PRO A 44 -7.824 4.667 5.673 1.00 0.00 C ATOM 646 O PRO A 44 -8.152 3.490 5.791 1.00 0.00 O ATOM 647 CB PRO A 44 -7.388 6.070 7.732 1.00 0.00 C ATOM 648 CG PRO A 44 -7.337 7.498 7.202 1.00 0.00 C ATOM 649 CD PRO A 44 -6.004 7.497 6.454 1.00 0.00 C ATOM 0 HA PRO A 44 -6.200 4.417 6.986 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.410 5.752 7.940 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.826 5.962 8.660 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.177 7.722 6.544 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.356 8.235 8.005 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.984 8.272 5.688 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.174 7.697 7.132 1.00 0.00 H new ATOM 657 N LEU A 45 -8.361 5.468 4.752 1.00 0.00 N ATOM 658 CA LEU A 45 -9.349 4.976 3.800 1.00 0.00 C ATOM 659 C LEU A 45 -8.781 3.764 3.061 1.00 0.00 C ATOM 660 O LEU A 45 -9.393 2.701 3.063 1.00 0.00 O ATOM 661 CB LEU A 45 -9.770 6.079 2.818 1.00 0.00 C ATOM 662 CG LEU A 45 -11.102 6.724 3.225 1.00 0.00 C ATOM 663 CD1 LEU A 45 -10.950 7.617 4.461 1.00 0.00 C ATOM 664 CD2 LEU A 45 -11.652 7.551 2.059 1.00 0.00 C ATOM 0 H LEU A 45 -8.128 6.455 4.648 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.244 4.672 4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.994 6.843 2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.860 5.659 1.816 1.00 0.00 H new ATOM 0 HG LEU A 45 -11.796 5.922 3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.916 8.054 4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.590 7.020 5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.236 8.413 4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.598 8.008 2.351 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.938 8.332 1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.813 6.903 1.197 1.00 0.00 H new ATOM 676 N PHE A 46 -7.603 3.901 2.448 1.00 0.00 N ATOM 677 CA PHE A 46 -6.956 2.764 1.792 1.00 0.00 C ATOM 678 C PHE A 46 -6.739 1.634 2.815 1.00 0.00 C ATOM 679 O PHE A 46 -6.961 0.456 2.519 1.00 0.00 O ATOM 680 CB PHE A 46 -5.643 3.243 1.160 1.00 0.00 C ATOM 681 CG PHE A 46 -4.734 2.157 0.598 1.00 0.00 C ATOM 682 CD1 PHE A 46 -3.760 1.555 1.415 1.00 0.00 C ATOM 683 CD2 PHE A 46 -4.774 1.829 -0.770 1.00 0.00 C ATOM 684 CE1 PHE A 46 -2.784 0.707 0.855 1.00 0.00 C ATOM 685 CE2 PHE A 46 -3.805 0.975 -1.328 1.00 0.00 C ATOM 686 CZ PHE A 46 -2.774 0.453 -0.527 1.00 0.00 C ATOM 0 H PHE A 46 -7.083 4.777 2.392 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.585 2.361 0.998 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.883 3.939 0.356 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.085 3.803 1.911 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.760 1.744 2.478 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.554 2.236 -1.396 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.040 0.250 1.491 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.853 0.719 -2.376 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.984 -0.136 -0.969 1.00 0.00 H new ATOM 696 N GLU A 47 -6.327 1.992 4.035 1.00 0.00 N ATOM 697 CA GLU A 47 -6.079 1.035 5.104 1.00 0.00 C ATOM 698 C GLU A 47 -7.316 0.173 5.418 1.00 0.00 C ATOM 699 O GLU A 47 -7.154 -1.012 5.700 1.00 0.00 O ATOM 700 CB GLU A 47 -5.560 1.766 6.348 1.00 0.00 C ATOM 701 CG GLU A 47 -4.805 0.821 7.290 1.00 0.00 C ATOM 702 CD GLU A 47 -4.143 1.606 8.417 1.00 0.00 C ATOM 703 OE1 GLU A 47 -3.022 2.102 8.175 1.00 0.00 O ATOM 704 OE2 GLU A 47 -4.781 1.716 9.486 1.00 0.00 O ATOM 0 H GLU A 47 -6.157 2.961 4.305 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.311 0.340 4.764 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.901 2.579 6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.397 2.217 6.880 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.494 0.086 7.707 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.050 0.268 6.731 1.00 0.00 H new ATOM 711 N THR A 48 -8.545 0.708 5.378 1.00 0.00 N ATOM 712 CA THR A 48 -9.714 -0.120 5.655 1.00 0.00 C ATOM 713 C THR A 48 -9.789 -1.275 4.649 1.00 0.00 C ATOM 714 O THR A 48 -9.881 -2.438 5.043 1.00 0.00 O ATOM 715 CB THR A 48 -11.008 0.704 5.644 1.00 0.00 C ATOM 716 OG1 THR A 48 -11.259 1.297 4.391 1.00 0.00 O ATOM 717 CG2 THR A 48 -11.001 1.798 6.710 1.00 0.00 C ATOM 0 H THR A 48 -8.747 1.684 5.162 1.00 0.00 H new ATOM 0 HA THR A 48 -9.607 -0.533 6.658 1.00 0.00 H new ATOM 0 HB THR A 48 -11.803 -0.008 5.863 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.539 1.926 4.177 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.936 2.356 6.665 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.896 1.345 7.696 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.166 2.475 6.531 1.00 0.00 H new ATOM 725 N LEU A 49 -9.720 -0.962 3.351 1.00 0.00 N ATOM 726 CA LEU A 49 -9.731 -1.981 2.301 1.00 0.00 C ATOM 727 C LEU A 49 -8.562 -2.939 2.533 1.00 0.00 C ATOM 728 O LEU A 49 -8.715 -4.153 2.403 1.00 0.00 O ATOM 729 CB LEU A 49 -9.641 -1.364 0.895 1.00 0.00 C ATOM 730 CG LEU A 49 -10.926 -0.711 0.352 1.00 0.00 C ATOM 731 CD1 LEU A 49 -12.015 -1.749 0.056 1.00 0.00 C ATOM 732 CD2 LEU A 49 -11.483 0.386 1.261 1.00 0.00 C ATOM 0 H LEU A 49 -9.656 -0.005 3.003 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.678 -2.518 2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.852 -0.612 0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.333 -2.144 0.198 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.628 -0.235 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.904 -1.246 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.651 -2.456 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -12.266 -2.284 0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.388 0.802 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -11.719 -0.036 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.740 1.175 1.377 1.00 0.00 H new ATOM 744 N SER A 50 -7.397 -2.397 2.901 1.00 0.00 N ATOM 745 CA SER A 50 -6.239 -3.223 3.212 1.00 0.00 C ATOM 746 C SER A 50 -6.623 -4.279 4.254 1.00 0.00 C ATOM 747 O SER A 50 -6.452 -5.477 4.030 1.00 0.00 O ATOM 748 CB SER A 50 -5.080 -2.362 3.724 1.00 0.00 C ATOM 749 OG SER A 50 -4.804 -1.233 2.919 1.00 0.00 O ATOM 0 H SER A 50 -7.237 -1.394 2.989 1.00 0.00 H new ATOM 0 HA SER A 50 -5.910 -3.724 2.301 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.309 -2.027 4.736 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.183 -2.978 3.787 1.00 0.00 H new ATOM 0 HG SER A 50 -5.161 -1.378 2.018 1.00 0.00 H new ATOM 755 N ASN A 51 -7.166 -3.827 5.388 1.00 0.00 N ATOM 756 CA ASN A 51 -7.586 -4.699 6.478 1.00 0.00 C ATOM 757 C ASN A 51 -8.635 -5.697 5.988 1.00 0.00 C ATOM 758 O ASN A 51 -8.601 -6.856 6.393 1.00 0.00 O ATOM 759 CB ASN A 51 -8.145 -3.853 7.631 1.00 0.00 C ATOM 760 CG ASN A 51 -8.213 -4.585 8.976 1.00 0.00 C ATOM 761 OD1 ASN A 51 -8.045 -3.957 10.016 1.00 0.00 O ATOM 762 ND2 ASN A 51 -8.447 -5.895 9.015 1.00 0.00 N ATOM 0 H ASN A 51 -7.326 -2.837 5.573 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.724 -5.261 6.837 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.526 -2.963 7.746 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.146 -3.513 7.365 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.487 -6.379 9.912 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.586 -6.414 8.148 1.00 0.00 H new ATOM 769 N ASP A 52 -9.579 -5.249 5.158 1.00 0.00 N ATOM 770 CA ASP A 52 -10.646 -6.092 4.637 1.00 0.00 C ATOM 771 C ASP A 52 -10.086 -7.282 3.851 1.00 0.00 C ATOM 772 O ASP A 52 -10.426 -8.427 4.134 1.00 0.00 O ATOM 773 CB ASP A 52 -11.573 -5.254 3.748 1.00 0.00 C ATOM 774 CG ASP A 52 -12.714 -6.099 3.193 1.00 0.00 C ATOM 775 OD1 ASP A 52 -13.689 -6.298 3.947 1.00 0.00 O ATOM 776 OD2 ASP A 52 -12.589 -6.523 2.025 1.00 0.00 O ATOM 0 H ASP A 52 -9.621 -4.284 4.829 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.212 -6.491 5.479 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.979 -4.422 4.323 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.002 -4.824 2.925 1.00 0.00 H new ATOM 781 N TYR A 53 -9.232 -7.013 2.861 1.00 0.00 N ATOM 782 CA TYR A 53 -8.699 -8.055 1.991 1.00 0.00 C ATOM 783 C TYR A 53 -7.519 -8.826 2.611 1.00 0.00 C ATOM 784 O TYR A 53 -7.216 -9.923 2.144 1.00 0.00 O ATOM 785 CB TYR A 53 -8.293 -7.415 0.660 1.00 0.00 C ATOM 786 CG TYR A 53 -9.440 -7.110 -0.286 1.00 0.00 C ATOM 787 CD1 TYR A 53 -10.172 -5.915 -0.163 1.00 0.00 C ATOM 788 CD2 TYR A 53 -9.746 -8.009 -1.325 1.00 0.00 C ATOM 789 CE1 TYR A 53 -11.211 -5.629 -1.063 1.00 0.00 C ATOM 790 CE2 TYR A 53 -10.787 -7.721 -2.225 1.00 0.00 C ATOM 791 CZ TYR A 53 -11.541 -6.545 -2.072 1.00 0.00 C ATOM 792 OH TYR A 53 -12.568 -6.272 -2.925 1.00 0.00 O ATOM 0 H TYR A 53 -8.895 -6.075 2.644 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.482 -8.798 1.838 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.759 -6.488 0.869 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.593 -8.080 0.154 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -9.934 -5.216 0.625 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -9.180 -8.922 -1.431 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -11.757 -4.701 -0.978 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -11.007 -8.403 -3.033 1.00 0.00 H new ATOM 0 HH TYR A 53 -12.649 -5.302 -3.039 1.00 0.00 H new ATOM 802 N ALA A 54 -6.832 -8.242 3.600 1.00 0.00 N ATOM 803 CA ALA A 54 -5.672 -8.777 4.317 1.00 0.00 C ATOM 804 C ALA A 54 -5.503 -10.306 4.267 1.00 0.00 C ATOM 805 O ALA A 54 -6.255 -11.034 4.908 1.00 0.00 O ATOM 806 CB ALA A 54 -5.776 -8.351 5.785 1.00 0.00 C ATOM 0 H ALA A 54 -7.092 -7.317 3.943 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.798 -8.369 3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.921 -8.739 6.338 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.785 -7.263 5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.696 -8.747 6.215 1.00 0.00 H new ATOM 812 N GLY A 55 -4.474 -10.787 3.555 1.00 0.00 N ATOM 813 CA GLY A 55 -4.118 -12.201 3.497 1.00 0.00 C ATOM 814 C GLY A 55 -3.614 -12.573 2.108 1.00 0.00 C ATOM 815 O GLY A 55 -2.417 -12.803 1.901 1.00 0.00 O ATOM 0 H GLY A 55 -3.861 -10.192 2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.349 -12.418 4.238 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.986 -12.810 3.750 1.00 0.00 H new ATOM 819 N LYS A 56 -4.534 -12.602 1.143 1.00 0.00 N ATOM 820 CA LYS A 56 -4.246 -12.937 -0.247 1.00 0.00 C ATOM 821 C LYS A 56 -3.895 -11.679 -1.052 1.00 0.00 C ATOM 822 O LYS A 56 -4.071 -11.663 -2.266 1.00 0.00 O ATOM 823 CB LYS A 56 -5.475 -13.625 -0.854 1.00 0.00 C ATOM 824 CG LYS A 56 -5.913 -14.864 -0.078 1.00 0.00 C ATOM 825 CD LYS A 56 -6.895 -15.661 -0.945 1.00 0.00 C ATOM 826 CE LYS A 56 -8.267 -14.982 -1.055 1.00 0.00 C ATOM 827 NZ LYS A 56 -9.215 -15.812 -1.819 1.00 0.00 N ATOM 0 H LYS A 56 -5.517 -12.389 1.311 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.387 -13.607 -0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.301 -12.915 -0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.254 -13.908 -1.883 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.048 -15.477 0.176 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.385 -14.575 0.861 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.474 -15.787 -1.943 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.020 -16.659 -0.524 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.665 -14.797 -0.057 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.157 -14.012 -1.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.133 -15.327 -1.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.845 -15.968 -2.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.337 -16.728 -1.342 1.00 0.00 H new ATOM 841 N VAL A 57 -3.407 -10.631 -0.388 1.00 0.00 N ATOM 842 CA VAL A 57 -3.115 -9.323 -0.957 1.00 0.00 C ATOM 843 C VAL A 57 -1.952 -8.721 -0.178 1.00 0.00 C ATOM 844 O VAL A 57 -1.706 -9.164 0.947 1.00 0.00 O ATOM 845 CB VAL A 57 -4.349 -8.418 -0.796 1.00 0.00 C ATOM 846 CG1 VAL A 57 -5.570 -8.965 -1.547 1.00 0.00 C ATOM 847 CG2 VAL A 57 -4.697 -8.241 0.696 1.00 0.00 C ATOM 0 H VAL A 57 -3.196 -10.677 0.609 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.864 -9.412 -2.014 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.093 -7.452 -1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.416 -8.293 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.340 -9.038 -2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.822 -9.953 -1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.572 -7.598 0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.912 -9.214 1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.854 -7.785 1.215 1.00 0.00 H new ATOM 857 N ILE A 58 -1.259 -7.721 -0.734 1.00 0.00 N ATOM 858 CA ILE A 58 -0.169 -7.052 -0.027 1.00 0.00 C ATOM 859 C ILE A 58 -0.343 -5.541 -0.206 1.00 0.00 C ATOM 860 O ILE A 58 0.092 -4.969 -1.201 1.00 0.00 O ATOM 861 CB ILE A 58 1.200 -7.578 -0.513 1.00 0.00 C ATOM 862 CG1 ILE A 58 1.322 -9.104 -0.371 1.00 0.00 C ATOM 863 CG2 ILE A 58 2.320 -6.962 0.332 1.00 0.00 C ATOM 864 CD1 ILE A 58 0.871 -9.883 -1.614 1.00 0.00 C ATOM 0 H ILE A 58 -1.436 -7.360 -1.671 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.200 -7.272 1.040 1.00 0.00 H new ATOM 0 HB ILE A 58 1.283 -7.304 -1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.360 -9.357 -0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.728 -9.428 0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.284 -7.335 -0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.295 -5.877 0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.179 -7.235 1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.987 -10.952 -1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.176 -9.662 -1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.481 -9.589 -2.468 1.00 0.00 H new ATOM 876 N PHE A 59 -1.010 -4.890 0.750 1.00 0.00 N ATOM 877 CA PHE A 59 -1.275 -3.456 0.706 1.00 0.00 C ATOM 878 C PHE A 59 -0.120 -2.695 1.361 1.00 0.00 C ATOM 879 O PHE A 59 -0.106 -2.508 2.577 1.00 0.00 O ATOM 880 CB PHE A 59 -2.605 -3.152 1.392 1.00 0.00 C ATOM 881 CG PHE A 59 -3.837 -3.397 0.538 1.00 0.00 C ATOM 882 CD1 PHE A 59 -4.228 -4.706 0.209 1.00 0.00 C ATOM 883 CD2 PHE A 59 -4.701 -2.328 0.233 1.00 0.00 C ATOM 884 CE1 PHE A 59 -5.518 -4.945 -0.294 1.00 0.00 C ATOM 885 CE2 PHE A 59 -6.011 -2.573 -0.198 1.00 0.00 C ATOM 886 CZ PHE A 59 -6.440 -3.893 -0.408 1.00 0.00 C ATOM 0 H PHE A 59 -1.383 -5.349 1.581 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.350 -3.129 -0.331 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.679 -3.760 2.294 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.603 -2.109 1.710 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.539 -5.526 0.342 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.351 -1.311 0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.801 -5.943 -0.594 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.689 -1.749 -0.368 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.471 -4.097 -0.655 1.00 0.00 H new ATOM 896 N LEU A 60 0.829 -2.242 0.543 1.00 0.00 N ATOM 897 CA LEU A 60 2.021 -1.522 0.965 1.00 0.00 C ATOM 898 C LEU A 60 1.776 -0.012 0.950 1.00 0.00 C ATOM 899 O LEU A 60 1.627 0.568 -0.125 1.00 0.00 O ATOM 900 CB LEU A 60 3.168 -1.849 -0.007 1.00 0.00 C ATOM 901 CG LEU A 60 3.569 -3.328 -0.080 1.00 0.00 C ATOM 902 CD1 LEU A 60 4.755 -3.478 -1.042 1.00 0.00 C ATOM 903 CD2 LEU A 60 3.968 -3.889 1.289 1.00 0.00 C ATOM 0 H LEU A 60 0.784 -2.373 -0.468 1.00 0.00 H new ATOM 0 HA LEU A 60 2.276 -1.827 1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.881 -1.519 -1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.043 -1.267 0.282 1.00 0.00 H new ATOM 0 HG LEU A 60 2.703 -3.889 -0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.046 -4.527 -1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.467 -3.127 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.596 -2.887 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.243 -4.939 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.817 -3.328 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.128 -3.800 1.977 1.00 0.00 H new ATOM 915 N LYS A 61 1.744 0.649 2.111 1.00 0.00 N ATOM 916 CA LYS A 61 1.642 2.106 2.150 1.00 0.00 C ATOM 917 C LYS A 61 3.084 2.619 2.185 1.00 0.00 C ATOM 918 O LYS A 61 3.801 2.413 3.163 1.00 0.00 O ATOM 919 CB LYS A 61 0.770 2.570 3.324 1.00 0.00 C ATOM 920 CG LYS A 61 -0.596 1.877 3.305 1.00 0.00 C ATOM 921 CD LYS A 61 -1.352 2.033 4.632 1.00 0.00 C ATOM 922 CE LYS A 61 -1.582 3.501 4.994 1.00 0.00 C ATOM 923 NZ LYS A 61 -2.295 4.212 3.921 1.00 0.00 N ATOM 0 H LYS A 61 1.787 0.201 3.027 1.00 0.00 H new ATOM 0 HA LYS A 61 1.134 2.518 1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.277 2.355 4.265 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.634 3.650 3.275 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.199 2.291 2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.459 0.817 3.091 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.312 1.522 4.564 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.789 1.548 5.429 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.156 3.564 5.918 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.624 3.986 5.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.973 5.200 3.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.099 3.752 3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.318 4.187 4.108 1.00 0.00 H new ATOM 937 N VAL A 62 3.535 3.223 1.085 1.00 0.00 N ATOM 938 CA VAL A 62 4.933 3.602 0.909 1.00 0.00 C ATOM 939 C VAL A 62 5.153 5.108 1.055 1.00 0.00 C ATOM 940 O VAL A 62 4.592 5.912 0.305 1.00 0.00 O ATOM 941 CB VAL A 62 5.430 3.068 -0.449 1.00 0.00 C ATOM 942 CG1 VAL A 62 6.765 3.689 -0.872 1.00 0.00 C ATOM 943 CG2 VAL A 62 5.645 1.555 -0.324 1.00 0.00 C ATOM 0 H VAL A 62 2.940 3.462 0.292 1.00 0.00 H new ATOM 0 HA VAL A 62 5.522 3.148 1.706 1.00 0.00 H new ATOM 0 HB VAL A 62 4.679 3.324 -1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.069 3.278 -1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.652 4.770 -0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.525 3.462 -0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.997 1.158 -1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.387 1.356 0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.704 1.075 -0.056 1.00 0.00 H new ATOM 953 N ASP A 63 6.030 5.470 2.001 1.00 0.00 N ATOM 954 CA ASP A 63 6.476 6.841 2.212 1.00 0.00 C ATOM 955 C ASP A 63 7.501 7.178 1.122 1.00 0.00 C ATOM 956 O ASP A 63 8.717 7.123 1.331 1.00 0.00 O ATOM 957 CB ASP A 63 7.056 6.996 3.624 1.00 0.00 C ATOM 958 CG ASP A 63 5.956 7.093 4.676 1.00 0.00 C ATOM 959 OD1 ASP A 63 5.292 8.153 4.708 1.00 0.00 O ATOM 960 OD2 ASP A 63 5.801 6.109 5.430 1.00 0.00 O ATOM 0 H ASP A 63 6.452 4.803 2.648 1.00 0.00 H new ATOM 0 HA ASP A 63 5.642 7.539 2.139 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.701 6.146 3.848 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.680 7.889 3.666 1.00 0.00 H new ATOM 965 N VAL A 64 6.978 7.525 -0.054 1.00 0.00 N ATOM 966 CA VAL A 64 7.706 7.833 -1.284 1.00 0.00 C ATOM 967 C VAL A 64 8.983 8.649 -1.069 1.00 0.00 C ATOM 968 O VAL A 64 10.019 8.305 -1.628 1.00 0.00 O ATOM 969 CB VAL A 64 6.772 8.563 -2.264 1.00 0.00 C ATOM 970 CG1 VAL A 64 5.680 7.609 -2.750 1.00 0.00 C ATOM 971 CG2 VAL A 64 6.117 9.821 -1.684 1.00 0.00 C ATOM 0 H VAL A 64 5.969 7.603 -0.180 1.00 0.00 H new ATOM 0 HA VAL A 64 8.031 6.878 -1.697 1.00 0.00 H new ATOM 0 HB VAL A 64 7.404 8.891 -3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.022 8.132 -3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.138 6.759 -3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.100 7.255 -1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.474 10.277 -2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.520 9.552 -0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.890 10.531 -1.389 1.00 0.00 H new ATOM 981 N ASP A 65 8.918 9.726 -0.282 1.00 0.00 N ATOM 982 CA ASP A 65 10.062 10.597 -0.036 1.00 0.00 C ATOM 983 C ASP A 65 11.263 9.796 0.475 1.00 0.00 C ATOM 984 O ASP A 65 12.395 10.044 0.070 1.00 0.00 O ATOM 985 CB ASP A 65 9.673 11.685 0.969 1.00 0.00 C ATOM 986 CG ASP A 65 10.787 12.710 1.133 1.00 0.00 C ATOM 987 OD1 ASP A 65 10.880 13.590 0.250 1.00 0.00 O ATOM 988 OD2 ASP A 65 11.512 12.601 2.145 1.00 0.00 O ATOM 0 H ASP A 65 8.068 10.016 0.202 1.00 0.00 H new ATOM 0 HA ASP A 65 10.353 11.066 -0.976 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.763 12.184 0.634 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.450 11.229 1.934 1.00 0.00 H new ATOM 993 N ALA A 66 11.010 8.826 1.359 1.00 0.00 N ATOM 994 CA ALA A 66 12.054 7.968 1.892 1.00 0.00 C ATOM 995 C ALA A 66 12.396 6.901 0.854 1.00 0.00 C ATOM 996 O ALA A 66 13.562 6.704 0.516 1.00 0.00 O ATOM 997 CB ALA A 66 11.572 7.336 3.195 1.00 0.00 C ATOM 0 H ALA A 66 10.078 8.620 1.719 1.00 0.00 H new ATOM 0 HA ALA A 66 12.953 8.547 2.106 1.00 0.00 H new ATOM 0 HB1 ALA A 66 12.353 6.691 3.598 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.341 8.120 3.916 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.677 6.745 3.003 1.00 0.00 H new ATOM 1003 N VAL A 67 11.375 6.240 0.300 1.00 0.00 N ATOM 1004 CA VAL A 67 11.526 5.200 -0.719 1.00 0.00 C ATOM 1005 C VAL A 67 11.719 5.874 -2.095 1.00 0.00 C ATOM 1006 O VAL A 67 11.075 5.535 -3.089 1.00 0.00 O ATOM 1007 CB VAL A 67 10.310 4.254 -0.598 1.00 0.00 C ATOM 1008 CG1 VAL A 67 10.252 3.138 -1.640 1.00 0.00 C ATOM 1009 CG2 VAL A 67 10.342 3.587 0.782 1.00 0.00 C ATOM 0 H VAL A 67 10.403 6.417 0.553 1.00 0.00 H new ATOM 0 HA VAL A 67 12.412 4.580 -0.584 1.00 0.00 H new ATOM 0 HB VAL A 67 9.434 4.883 -0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.364 2.529 -1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.209 3.574 -2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.142 2.514 -1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.489 2.916 0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.266 3.018 0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.294 4.352 1.557 1.00 0.00 H new ATOM 1019 N ALA A 68 12.677 6.807 -2.147 1.00 0.00 N ATOM 1020 CA ALA A 68 12.959 7.675 -3.278 1.00 0.00 C ATOM 1021 C ALA A 68 13.253 6.902 -4.559 1.00 0.00 C ATOM 1022 O ALA A 68 12.572 7.099 -5.556 1.00 0.00 O ATOM 1023 CB ALA A 68 14.133 8.593 -2.920 1.00 0.00 C ATOM 0 H ALA A 68 13.302 6.979 -1.360 1.00 0.00 H new ATOM 0 HA ALA A 68 12.065 8.266 -3.479 1.00 0.00 H new ATOM 0 HB1 ALA A 68 14.352 9.249 -3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.872 9.196 -2.050 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.011 7.989 -2.692 1.00 0.00 H new ATOM 1029 N ALA A 69 14.269 6.032 -4.549 1.00 0.00 N ATOM 1030 CA ALA A 69 14.692 5.292 -5.736 1.00 0.00 C ATOM 1031 C ALA A 69 13.517 4.567 -6.401 1.00 0.00 C ATOM 1032 O ALA A 69 13.281 4.706 -7.601 1.00 0.00 O ATOM 1033 CB ALA A 69 15.786 4.295 -5.342 1.00 0.00 C ATOM 0 H ALA A 69 14.819 5.823 -3.716 1.00 0.00 H new ATOM 0 HA ALA A 69 15.084 6.001 -6.465 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.106 3.739 -6.223 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.636 4.834 -4.924 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.395 3.601 -4.598 1.00 0.00 H new ATOM 1039 N VAL A 70 12.778 3.791 -5.605 1.00 0.00 N ATOM 1040 CA VAL A 70 11.635 3.027 -6.079 1.00 0.00 C ATOM 1041 C VAL A 70 10.568 3.992 -6.595 1.00 0.00 C ATOM 1042 O VAL A 70 10.049 3.792 -7.689 1.00 0.00 O ATOM 1043 CB VAL A 70 11.099 2.149 -4.942 1.00 0.00 C ATOM 1044 CG1 VAL A 70 9.872 1.326 -5.356 1.00 0.00 C ATOM 1045 CG2 VAL A 70 12.177 1.207 -4.394 1.00 0.00 C ATOM 0 H VAL A 70 12.962 3.678 -4.608 1.00 0.00 H new ATOM 0 HA VAL A 70 11.929 2.371 -6.899 1.00 0.00 H new ATOM 0 HB VAL A 70 10.795 2.843 -4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.536 0.724 -4.512 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.071 1.997 -5.664 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.136 0.671 -6.186 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.757 0.602 -3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.530 0.555 -5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 70 13.011 1.794 -4.009 1.00 0.00 H new ATOM 1055 N ALA A 71 10.238 5.030 -5.818 1.00 0.00 N ATOM 1056 CA ALA A 71 9.257 6.033 -6.226 1.00 0.00 C ATOM 1057 C ALA A 71 9.628 6.613 -7.599 1.00 0.00 C ATOM 1058 O ALA A 71 8.774 6.746 -8.475 1.00 0.00 O ATOM 1059 CB ALA A 71 9.165 7.127 -5.157 1.00 0.00 C ATOM 0 H ALA A 71 10.642 5.195 -4.896 1.00 0.00 H new ATOM 0 HA ALA A 71 8.276 5.567 -6.321 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.433 7.874 -5.463 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.858 6.685 -4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.139 7.601 -5.037 1.00 0.00 H new ATOM 1065 N GLU A 72 10.908 6.947 -7.789 1.00 0.00 N ATOM 1066 CA GLU A 72 11.444 7.445 -9.042 1.00 0.00 C ATOM 1067 C GLU A 72 11.207 6.426 -10.153 1.00 0.00 C ATOM 1068 O GLU A 72 10.590 6.744 -11.166 1.00 0.00 O ATOM 1069 CB GLU A 72 12.951 7.724 -8.885 1.00 0.00 C ATOM 1070 CG GLU A 72 13.257 9.139 -9.357 1.00 0.00 C ATOM 1071 CD GLU A 72 14.736 9.475 -9.191 1.00 0.00 C ATOM 1072 OE1 GLU A 72 15.141 9.688 -8.028 1.00 0.00 O ATOM 1073 OE2 GLU A 72 15.434 9.500 -10.227 1.00 0.00 O ATOM 0 H GLU A 72 11.610 6.874 -7.053 1.00 0.00 H new ATOM 0 HA GLU A 72 10.937 8.373 -9.307 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.247 7.605 -7.843 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.528 7.003 -9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 72 12.974 9.244 -10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.655 9.851 -8.792 1.00 0.00 H new ATOM 1080 N ALA A 73 11.694 5.198 -9.958 1.00 0.00 N ATOM 1081 CA ALA A 73 11.569 4.141 -10.952 1.00 0.00 C ATOM 1082 C ALA A 73 10.103 3.914 -11.335 1.00 0.00 C ATOM 1083 O ALA A 73 9.782 3.735 -12.508 1.00 0.00 O ATOM 1084 CB ALA A 73 12.194 2.855 -10.406 1.00 0.00 C ATOM 0 H ALA A 73 12.183 4.914 -9.109 1.00 0.00 H new ATOM 0 HA ALA A 73 12.099 4.442 -11.856 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.102 2.062 -11.148 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.248 3.027 -10.188 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.678 2.559 -9.493 1.00 0.00 H new ATOM 1090 N ALA A 74 9.210 3.938 -10.344 1.00 0.00 N ATOM 1091 CA ALA A 74 7.776 3.760 -10.526 1.00 0.00 C ATOM 1092 C ALA A 74 7.094 5.052 -11.023 1.00 0.00 C ATOM 1093 O ALA A 74 5.877 5.076 -11.176 1.00 0.00 O ATOM 1094 CB ALA A 74 7.184 3.248 -9.209 1.00 0.00 C ATOM 0 H ALA A 74 9.475 4.086 -9.370 1.00 0.00 H new ATOM 0 HA ALA A 74 7.592 3.023 -11.307 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.109 3.108 -9.323 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.648 2.297 -8.947 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.373 3.974 -8.418 1.00 0.00 H new ATOM 1100 N GLY A 75 7.843 6.126 -11.291 1.00 0.00 N ATOM 1101 CA GLY A 75 7.313 7.373 -11.828 1.00 0.00 C ATOM 1102 C GLY A 75 6.232 8.002 -10.949 1.00 0.00 C ATOM 1103 O GLY A 75 5.229 8.507 -11.455 1.00 0.00 O ATOM 0 H GLY A 75 8.851 6.149 -11.137 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.130 8.084 -11.950 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.901 7.187 -12.820 1.00 0.00 H new ATOM 1107 N ILE A 76 6.429 7.994 -9.628 1.00 0.00 N ATOM 1108 CA ILE A 76 5.471 8.605 -8.713 1.00 0.00 C ATOM 1109 C ILE A 76 5.437 10.110 -8.976 1.00 0.00 C ATOM 1110 O ILE A 76 6.480 10.738 -9.154 1.00 0.00 O ATOM 1111 CB ILE A 76 5.856 8.286 -7.258 1.00 0.00 C ATOM 1112 CG1 ILE A 76 5.217 6.962 -6.813 1.00 0.00 C ATOM 1113 CG2 ILE A 76 5.394 9.364 -6.263 1.00 0.00 C ATOM 1114 CD1 ILE A 76 5.443 5.815 -7.797 1.00 0.00 C ATOM 0 H ILE A 76 7.239 7.573 -9.174 1.00 0.00 H new ATOM 0 HA ILE A 76 4.473 8.200 -8.878 1.00 0.00 H new ATOM 0 HB ILE A 76 6.945 8.234 -7.248 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.622 6.681 -5.841 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.145 7.111 -6.681 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.695 9.081 -5.254 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.850 10.319 -6.524 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.309 9.457 -6.305 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.965 4.912 -7.419 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.013 6.075 -8.764 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.513 5.639 -7.911 1.00 0.00 H new ATOM 1126 N THR A 77 4.233 10.681 -8.984 1.00 0.00 N ATOM 1127 CA THR A 77 4.009 12.099 -9.216 1.00 0.00 C ATOM 1128 C THR A 77 2.767 12.531 -8.434 1.00 0.00 C ATOM 1129 O THR A 77 2.860 13.091 -7.342 1.00 0.00 O ATOM 1130 CB THR A 77 3.831 12.352 -10.727 1.00 0.00 C ATOM 1131 OG1 THR A 77 2.951 11.382 -11.267 1.00 0.00 O ATOM 1132 CG2 THR A 77 5.151 12.291 -11.501 1.00 0.00 C ATOM 0 H THR A 77 3.372 10.157 -8.826 1.00 0.00 H new ATOM 0 HA THR A 77 4.863 12.683 -8.875 1.00 0.00 H new ATOM 0 HB THR A 77 3.427 13.359 -10.832 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.836 11.543 -12.227 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.962 12.477 -12.558 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.834 13.048 -11.116 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.598 11.304 -11.380 1.00 0.00 H new ATOM 1140 N ALA A 78 1.595 12.247 -8.998 1.00 0.00 N ATOM 1141 CA ALA A 78 0.307 12.602 -8.426 1.00 0.00 C ATOM 1142 C ALA A 78 -0.014 11.705 -7.227 1.00 0.00 C ATOM 1143 O ALA A 78 -0.776 10.746 -7.337 1.00 0.00 O ATOM 1144 CB ALA A 78 -0.758 12.505 -9.522 1.00 0.00 C ATOM 0 H ALA A 78 1.518 11.752 -9.886 1.00 0.00 H new ATOM 0 HA ALA A 78 0.329 13.626 -8.052 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.731 12.769 -9.108 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.510 13.191 -10.332 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.792 11.486 -9.907 1.00 0.00 H new ATOM 1150 N MET A 79 0.595 11.999 -6.078 1.00 0.00 N ATOM 1151 CA MET A 79 0.316 11.289 -4.836 1.00 0.00 C ATOM 1152 C MET A 79 -1.106 11.672 -4.380 1.00 0.00 C ATOM 1153 O MET A 79 -1.462 12.845 -4.487 1.00 0.00 O ATOM 1154 CB MET A 79 1.335 11.679 -3.759 1.00 0.00 C ATOM 1155 CG MET A 79 2.783 11.360 -4.153 1.00 0.00 C ATOM 1156 SD MET A 79 4.023 12.390 -3.331 1.00 0.00 S ATOM 1157 CE MET A 79 3.538 12.191 -1.602 1.00 0.00 C ATOM 0 H MET A 79 1.294 12.736 -5.985 1.00 0.00 H new ATOM 0 HA MET A 79 0.388 10.213 -4.995 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.248 12.746 -3.555 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.094 11.156 -2.833 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.987 10.314 -3.924 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.888 11.477 -5.232 1.00 0.00 H new ATOM 0 HE1 MET A 79 4.271 12.680 -0.960 1.00 0.00 H new ATOM 0 HE2 MET A 79 2.559 12.643 -1.444 1.00 0.00 H new ATOM 0 HE3 MET A 79 3.491 11.130 -1.357 1.00 0.00 H new ATOM 1167 N PRO A 80 -1.931 10.743 -3.868 1.00 0.00 N ATOM 1168 CA PRO A 80 -1.652 9.327 -3.706 1.00 0.00 C ATOM 1169 C PRO A 80 -1.591 8.633 -5.064 1.00 0.00 C ATOM 1170 O PRO A 80 -2.468 8.837 -5.899 1.00 0.00 O ATOM 1171 CB PRO A 80 -2.812 8.747 -2.886 1.00 0.00 C ATOM 1172 CG PRO A 80 -3.522 9.961 -2.299 1.00 0.00 C ATOM 1173 CD PRO A 80 -3.236 11.060 -3.318 1.00 0.00 C ATOM 0 HA PRO A 80 -0.692 9.177 -3.212 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.484 8.161 -3.512 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.448 8.084 -2.101 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.592 9.786 -2.186 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.135 10.216 -1.313 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.997 11.081 -4.098 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.236 12.043 -2.847 1.00 0.00 H new ATOM 1181 N THR A 81 -0.554 7.827 -5.281 1.00 0.00 N ATOM 1182 CA THR A 81 -0.374 7.040 -6.485 1.00 0.00 C ATOM 1183 C THR A 81 -0.602 5.584 -6.068 1.00 0.00 C ATOM 1184 O THR A 81 0.174 5.031 -5.288 1.00 0.00 O ATOM 1185 CB THR A 81 1.012 7.341 -7.067 1.00 0.00 C ATOM 1186 OG1 THR A 81 1.048 8.662 -7.578 1.00 0.00 O ATOM 1187 CG2 THR A 81 1.393 6.380 -8.192 1.00 0.00 C ATOM 0 H THR A 81 0.199 7.705 -4.604 1.00 0.00 H new ATOM 0 HA THR A 81 -1.074 7.274 -7.287 1.00 0.00 H new ATOM 0 HB THR A 81 1.726 7.220 -6.253 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.244 9.145 -7.293 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.383 6.636 -8.570 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.403 5.359 -7.811 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.665 6.458 -9.000 1.00 0.00 H new ATOM 1195 N PHE A 82 -1.695 4.987 -6.553 1.00 0.00 N ATOM 1196 CA PHE A 82 -2.104 3.633 -6.217 1.00 0.00 C ATOM 1197 C PHE A 82 -1.679 2.688 -7.337 1.00 0.00 C ATOM 1198 O PHE A 82 -2.261 2.743 -8.416 1.00 0.00 O ATOM 1199 CB PHE A 82 -3.624 3.587 -6.014 1.00 0.00 C ATOM 1200 CG PHE A 82 -4.110 4.356 -4.801 1.00 0.00 C ATOM 1201 CD1 PHE A 82 -3.745 3.915 -3.517 1.00 0.00 C ATOM 1202 CD2 PHE A 82 -4.906 5.511 -4.944 1.00 0.00 C ATOM 1203 CE1 PHE A 82 -4.133 4.648 -2.386 1.00 0.00 C ATOM 1204 CE2 PHE A 82 -5.315 6.227 -3.804 1.00 0.00 C ATOM 1205 CZ PHE A 82 -4.887 5.819 -2.530 1.00 0.00 C ATOM 0 H PHE A 82 -2.330 5.448 -7.205 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.624 3.319 -5.290 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.111 3.987 -6.903 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.936 2.547 -5.920 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.165 3.011 -3.401 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.201 5.846 -5.927 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.849 4.308 -1.401 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.957 7.089 -3.908 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.140 6.409 -1.661 1.00 0.00 H new ATOM 1215 N HIS A 83 -0.671 1.837 -7.119 1.00 0.00 N ATOM 1216 CA HIS A 83 -0.252 0.871 -8.135 1.00 0.00 C ATOM 1217 C HIS A 83 -0.670 -0.530 -7.720 1.00 0.00 C ATOM 1218 O HIS A 83 -0.925 -0.769 -6.542 1.00 0.00 O ATOM 1219 CB HIS A 83 1.264 0.903 -8.324 1.00 0.00 C ATOM 1220 CG HIS A 83 1.801 2.071 -9.101 1.00 0.00 C ATOM 1221 ND1 HIS A 83 3.111 2.048 -9.577 1.00 0.00 N ATOM 1222 CD2 HIS A 83 1.204 3.245 -9.481 1.00 0.00 C ATOM 1223 CE1 HIS A 83 3.244 3.202 -10.236 1.00 0.00 C ATOM 1224 NE2 HIS A 83 2.135 3.955 -10.208 1.00 0.00 N ATOM 0 H HIS A 83 -0.134 1.799 -6.253 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.732 1.139 -9.076 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.734 0.898 -7.341 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.568 -0.015 -8.827 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.195 3.555 -9.254 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.152 3.498 -10.740 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.006 4.871 -10.639 1.00 0.00 H new ATOM 1232 N VAL A 84 -0.723 -1.454 -8.682 1.00 0.00 N ATOM 1233 CA VAL A 84 -1.034 -2.850 -8.434 1.00 0.00 C ATOM 1234 C VAL A 84 0.023 -3.695 -9.142 1.00 0.00 C ATOM 1235 O VAL A 84 0.052 -3.718 -10.372 1.00 0.00 O ATOM 1236 CB VAL A 84 -2.445 -3.203 -8.940 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -2.825 -4.597 -8.427 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.513 -2.206 -8.472 1.00 0.00 C ATOM 0 H VAL A 84 -0.548 -1.244 -9.665 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.023 -3.049 -7.362 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.414 -3.169 -10.029 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.823 -4.855 -8.781 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.108 -5.329 -8.798 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.815 -4.599 -7.337 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.486 -2.507 -8.860 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.545 -2.192 -7.383 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.268 -1.210 -8.841 1.00 0.00 H new ATOM 1248 N TYR A 85 0.895 -4.371 -8.387 1.00 0.00 N ATOM 1249 CA TYR A 85 1.897 -5.284 -8.929 1.00 0.00 C ATOM 1250 C TYR A 85 1.428 -6.697 -8.581 1.00 0.00 C ATOM 1251 O TYR A 85 1.420 -7.070 -7.411 1.00 0.00 O ATOM 1252 CB TYR A 85 3.295 -4.965 -8.368 1.00 0.00 C ATOM 1253 CG TYR A 85 3.834 -3.601 -8.759 1.00 0.00 C ATOM 1254 CD1 TYR A 85 3.421 -2.465 -8.043 1.00 0.00 C ATOM 1255 CD2 TYR A 85 4.786 -3.462 -9.788 1.00 0.00 C ATOM 1256 CE1 TYR A 85 3.932 -1.198 -8.369 1.00 0.00 C ATOM 1257 CE2 TYR A 85 5.286 -2.191 -10.120 1.00 0.00 C ATOM 1258 CZ TYR A 85 4.820 -1.051 -9.444 1.00 0.00 C ATOM 1259 OH TYR A 85 5.185 0.191 -9.866 1.00 0.00 O ATOM 0 H TYR A 85 0.922 -4.296 -7.370 1.00 0.00 H new ATOM 0 HA TYR A 85 1.993 -5.181 -10.010 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.260 -5.030 -7.280 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.993 -5.729 -8.710 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.708 -2.566 -7.239 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.132 -4.334 -10.323 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.640 -0.334 -7.790 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.030 -2.091 -10.896 1.00 0.00 H new ATOM 0 HH TYR A 85 4.602 0.861 -9.453 1.00 0.00 H new ATOM 1269 N LYS A 86 0.967 -7.477 -9.563 1.00 0.00 N ATOM 1270 CA LYS A 86 0.518 -8.839 -9.291 1.00 0.00 C ATOM 1271 C LYS A 86 1.757 -9.722 -9.301 1.00 0.00 C ATOM 1272 O LYS A 86 2.358 -9.912 -10.357 1.00 0.00 O ATOM 1273 CB LYS A 86 -0.524 -9.300 -10.316 1.00 0.00 C ATOM 1274 CG LYS A 86 -1.876 -8.645 -10.000 1.00 0.00 C ATOM 1275 CD LYS A 86 -2.966 -9.014 -11.013 1.00 0.00 C ATOM 1276 CE LYS A 86 -3.377 -10.487 -10.954 1.00 0.00 C ATOM 1277 NZ LYS A 86 -4.527 -10.734 -11.841 1.00 0.00 N ATOM 0 H LYS A 86 0.897 -7.191 -10.540 1.00 0.00 H new ATOM 0 HA LYS A 86 0.021 -8.897 -8.323 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.204 -9.031 -11.323 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.619 -10.386 -10.291 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.196 -8.946 -9.003 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.755 -7.562 -9.982 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.843 -8.392 -10.834 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.611 -8.783 -12.018 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.539 -11.117 -11.250 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.634 -10.759 -9.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.827 -11.726 -11.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.313 -10.109 -11.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.253 -10.542 -12.826 1.00 0.00 H new ATOM 1291 N ASP A 87 2.153 -10.214 -8.122 1.00 0.00 N ATOM 1292 CA ASP A 87 3.343 -11.027 -7.866 1.00 0.00 C ATOM 1293 C ASP A 87 4.608 -10.187 -7.985 1.00 0.00 C ATOM 1294 O ASP A 87 5.375 -10.054 -7.036 1.00 0.00 O ATOM 1295 CB ASP A 87 3.418 -12.249 -8.790 1.00 0.00 C ATOM 1296 CG ASP A 87 4.611 -13.128 -8.425 1.00 0.00 C ATOM 1297 OD1 ASP A 87 4.587 -13.704 -7.316 1.00 0.00 O ATOM 1298 OD2 ASP A 87 5.545 -13.180 -9.253 1.00 0.00 O ATOM 0 H ASP A 87 1.618 -10.044 -7.271 1.00 0.00 H new ATOM 0 HA ASP A 87 3.264 -11.398 -6.844 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.497 -12.827 -8.713 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.504 -11.923 -9.827 1.00 0.00 H new ATOM 1303 N GLY A 88 4.807 -9.624 -9.170 1.00 0.00 N ATOM 1304 CA GLY A 88 5.936 -8.781 -9.517 1.00 0.00 C ATOM 1305 C GLY A 88 5.593 -7.839 -10.670 1.00 0.00 C ATOM 1306 O GLY A 88 5.985 -6.675 -10.650 1.00 0.00 O ATOM 0 H GLY A 88 4.157 -9.750 -9.946 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.239 -8.199 -8.647 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.786 -9.404 -9.795 1.00 0.00 H new ATOM 1310 N VAL A 89 4.872 -8.323 -11.686 1.00 0.00 N ATOM 1311 CA VAL A 89 4.542 -7.508 -12.847 1.00 0.00 C ATOM 1312 C VAL A 89 3.520 -6.427 -12.480 1.00 0.00 C ATOM 1313 O VAL A 89 2.531 -6.697 -11.796 1.00 0.00 O ATOM 1314 CB VAL A 89 4.067 -8.405 -14.009 1.00 0.00 C ATOM 1315 CG1 VAL A 89 2.795 -9.211 -13.706 1.00 0.00 C ATOM 1316 CG2 VAL A 89 3.848 -7.577 -15.283 1.00 0.00 C ATOM 0 H VAL A 89 4.508 -9.275 -11.723 1.00 0.00 H new ATOM 0 HA VAL A 89 5.437 -6.987 -13.186 1.00 0.00 H new ATOM 0 HB VAL A 89 4.870 -9.127 -14.155 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.531 -9.814 -14.575 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.973 -9.864 -12.852 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.977 -8.528 -13.476 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.513 -8.231 -16.089 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.091 -6.815 -15.096 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.783 -7.097 -15.570 1.00 0.00 H new ATOM 1326 N LYS A 90 3.773 -5.195 -12.938 1.00 0.00 N ATOM 1327 CA LYS A 90 2.889 -4.060 -12.736 1.00 0.00 C ATOM 1328 C LYS A 90 1.602 -4.328 -13.517 1.00 0.00 C ATOM 1329 O LYS A 90 1.567 -4.191 -14.737 1.00 0.00 O ATOM 1330 CB LYS A 90 3.582 -2.769 -13.192 1.00 0.00 C ATOM 1331 CG LYS A 90 2.813 -1.540 -12.687 1.00 0.00 C ATOM 1332 CD LYS A 90 3.557 -0.234 -12.995 1.00 0.00 C ATOM 1333 CE LYS A 90 3.788 0.007 -14.494 1.00 0.00 C ATOM 1334 NZ LYS A 90 2.553 -0.159 -15.280 1.00 0.00 N ATOM 0 H LYS A 90 4.614 -4.964 -13.467 1.00 0.00 H new ATOM 0 HA LYS A 90 2.646 -3.932 -11.681 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.605 -2.746 -12.816 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.642 -2.746 -14.280 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.826 -1.514 -13.150 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.659 -1.625 -11.611 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.990 0.602 -12.585 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.520 -0.246 -12.485 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.179 1.014 -14.643 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.545 -0.686 -14.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.686 0.252 -16.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.332 -1.171 -15.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.768 0.325 -14.799 1.00 0.00 H new ATOM 1348 N ALA A 91 0.556 -4.740 -12.806 1.00 0.00 N ATOM 1349 CA ALA A 91 -0.729 -5.084 -13.377 1.00 0.00 C ATOM 1350 C ALA A 91 -1.589 -3.846 -13.592 1.00 0.00 C ATOM 1351 O ALA A 91 -2.392 -3.822 -14.521 1.00 0.00 O ATOM 1352 CB ALA A 91 -1.427 -6.081 -12.452 1.00 0.00 C ATOM 0 H ALA A 91 0.586 -4.844 -11.792 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.576 -5.538 -14.356 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.397 -6.349 -12.871 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.814 -6.977 -12.354 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.568 -5.629 -11.470 1.00 0.00 H new ATOM 1358 N ASP A 92 -1.454 -2.831 -12.731 1.00 0.00 N ATOM 1359 CA ASP A 92 -2.255 -1.617 -12.868 1.00 0.00 C ATOM 1360 C ASP A 92 -1.616 -0.415 -12.180 1.00 0.00 C ATOM 1361 O ASP A 92 -0.679 -0.565 -11.391 1.00 0.00 O ATOM 1362 CB ASP A 92 -3.660 -1.864 -12.299 1.00 0.00 C ATOM 1363 CG ASP A 92 -4.743 -1.280 -13.196 1.00 0.00 C ATOM 1364 OD1 ASP A 92 -4.588 -0.096 -13.567 1.00 0.00 O ATOM 1365 OD2 ASP A 92 -5.703 -2.027 -13.489 1.00 0.00 O ATOM 0 H ASP A 92 -0.806 -2.828 -11.943 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.316 -1.381 -13.930 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.822 -2.936 -12.183 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.733 -1.422 -11.306 1.00 0.00 H new ATOM 1370 N ASP A 93 -2.176 0.767 -12.458 1.00 0.00 N ATOM 1371 CA ASP A 93 -1.771 2.064 -11.941 1.00 0.00 C ATOM 1372 C ASP A 93 -3.037 2.886 -11.739 1.00 0.00 C ATOM 1373 O ASP A 93 -4.067 2.602 -12.345 1.00 0.00 O ATOM 1374 CB ASP A 93 -0.870 2.826 -12.921 1.00 0.00 C ATOM 1375 CG ASP A 93 0.426 2.109 -13.276 1.00 0.00 C ATOM 1376 OD1 ASP A 93 0.351 1.118 -14.033 1.00 0.00 O ATOM 1377 OD2 ASP A 93 1.480 2.593 -12.813 1.00 0.00 O ATOM 0 H ASP A 93 -2.973 0.840 -13.090 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.212 1.909 -11.018 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.429 3.014 -13.838 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.627 3.798 -12.491 1.00 0.00 H new ATOM 1382 N LEU A 94 -2.935 3.933 -10.928 1.00 0.00 N ATOM 1383 CA LEU A 94 -4.019 4.831 -10.573 1.00 0.00 C ATOM 1384 C LEU A 94 -3.398 5.958 -9.746 1.00 0.00 C ATOM 1385 O LEU A 94 -2.357 5.753 -9.119 1.00 0.00 O ATOM 1386 CB LEU A 94 -5.089 4.041 -9.801 1.00 0.00 C ATOM 1387 CG LEU A 94 -6.220 4.891 -9.208 1.00 0.00 C ATOM 1388 CD1 LEU A 94 -7.036 5.512 -10.345 1.00 0.00 C ATOM 1389 CD2 LEU A 94 -7.107 3.997 -8.336 1.00 0.00 C ATOM 0 H LEU A 94 -2.054 4.187 -10.482 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.516 5.262 -11.442 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.525 3.299 -10.470 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.603 3.495 -8.993 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.809 5.693 -8.595 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.841 6.117 -9.927 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.389 6.141 -10.956 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.460 4.721 -10.963 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.915 4.591 -7.909 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.528 3.197 -8.945 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.510 3.565 -7.532 1.00 0.00 H new ATOM 1401 N VAL A 95 -3.999 7.151 -9.754 1.00 0.00 N ATOM 1402 CA VAL A 95 -3.501 8.315 -9.040 1.00 0.00 C ATOM 1403 C VAL A 95 -4.666 9.109 -8.451 1.00 0.00 C ATOM 1404 O VAL A 95 -5.819 8.913 -8.844 1.00 0.00 O ATOM 1405 CB VAL A 95 -2.675 9.202 -9.992 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -1.372 8.520 -10.427 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -3.461 9.634 -11.237 1.00 0.00 C ATOM 0 H VAL A 95 -4.861 7.331 -10.269 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.859 7.983 -8.224 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.435 10.095 -9.415 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.822 9.181 -11.097 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.763 8.305 -9.549 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.604 7.589 -10.945 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.828 10.256 -11.869 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.774 8.751 -11.794 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.340 10.202 -10.933 1.00 0.00 H new ATOM 1417 N GLY A 96 -4.351 10.016 -7.525 1.00 0.00 N ATOM 1418 CA GLY A 96 -5.311 10.906 -6.894 1.00 0.00 C ATOM 1419 C GLY A 96 -6.199 10.168 -5.898 1.00 0.00 C ATOM 1420 O GLY A 96 -6.078 8.958 -5.706 1.00 0.00 O ATOM 0 H GLY A 96 -3.397 10.151 -7.189 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.780 11.709 -6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.932 11.372 -7.659 1.00 0.00 H new ATOM 1424 N ALA A 97 -7.133 10.892 -5.273 1.00 0.00 N ATOM 1425 CA ALA A 97 -8.066 10.344 -4.291 1.00 0.00 C ATOM 1426 C ALA A 97 -9.189 9.552 -4.979 1.00 0.00 C ATOM 1427 O ALA A 97 -10.363 9.679 -4.630 1.00 0.00 O ATOM 1428 CB ALA A 97 -8.647 11.504 -3.473 1.00 0.00 C ATOM 0 H ALA A 97 -7.262 11.890 -5.440 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.538 9.653 -3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -9.347 11.114 -2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.839 12.031 -2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -9.168 12.193 -4.138 1.00 0.00 H new ATOM 1434 N SER A 98 -8.844 8.721 -5.961 1.00 0.00 N ATOM 1435 CA SER A 98 -9.790 7.957 -6.756 1.00 0.00 C ATOM 1436 C SER A 98 -10.212 6.703 -5.990 1.00 0.00 C ATOM 1437 O SER A 98 -9.982 5.586 -6.443 1.00 0.00 O ATOM 1438 CB SER A 98 -9.112 7.620 -8.086 1.00 0.00 C ATOM 1439 OG SER A 98 -8.605 8.800 -8.688 1.00 0.00 O ATOM 0 H SER A 98 -7.873 8.560 -6.229 1.00 0.00 H new ATOM 0 HA SER A 98 -10.697 8.528 -6.955 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.302 6.910 -7.920 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.825 7.139 -8.755 1.00 0.00 H new ATOM 0 HG SER A 98 -7.625 8.772 -8.689 1.00 0.00 H new ATOM 1445 N GLN A 99 -10.831 6.892 -4.822 1.00 0.00 N ATOM 1446 CA GLN A 99 -11.218 5.811 -3.921 1.00 0.00 C ATOM 1447 C GLN A 99 -12.113 4.779 -4.613 1.00 0.00 C ATOM 1448 O GLN A 99 -11.945 3.576 -4.426 1.00 0.00 O ATOM 1449 CB GLN A 99 -11.913 6.392 -2.682 1.00 0.00 C ATOM 1450 CG GLN A 99 -11.095 7.497 -1.996 1.00 0.00 C ATOM 1451 CD GLN A 99 -9.631 7.110 -1.808 1.00 0.00 C ATOM 1452 OE1 GLN A 99 -8.744 7.677 -2.437 1.00 0.00 O ATOM 1453 NE2 GLN A 99 -9.363 6.126 -0.955 1.00 0.00 N ATOM 0 H GLN A 99 -11.080 7.817 -4.473 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.312 5.289 -3.614 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -12.884 6.794 -2.972 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.100 5.590 -1.968 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -11.153 8.409 -2.590 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.536 7.721 -1.025 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.121 5.672 -0.445 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.399 5.825 -0.810 1.00 0.00 H new ATOM 1462 N ASP A 100 -13.075 5.248 -5.405 1.00 0.00 N ATOM 1463 CA ASP A 100 -13.975 4.390 -6.165 1.00 0.00 C ATOM 1464 C ASP A 100 -13.169 3.474 -7.094 1.00 0.00 C ATOM 1465 O ASP A 100 -13.352 2.255 -7.104 1.00 0.00 O ATOM 1466 CB ASP A 100 -14.971 5.257 -6.956 1.00 0.00 C ATOM 1467 CG ASP A 100 -14.320 6.127 -8.034 1.00 0.00 C ATOM 1468 OD1 ASP A 100 -13.237 6.688 -7.743 1.00 0.00 O ATOM 1469 OD2 ASP A 100 -14.900 6.193 -9.137 1.00 0.00 O ATOM 0 H ASP A 100 -13.251 6.244 -5.537 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.541 3.757 -5.482 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -15.710 4.607 -7.425 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.509 5.901 -6.260 1.00 0.00 H new ATOM 1474 N LYS A 101 -12.254 4.063 -7.863 1.00 0.00 N ATOM 1475 CA LYS A 101 -11.437 3.322 -8.803 1.00 0.00 C ATOM 1476 C LYS A 101 -10.508 2.382 -8.034 1.00 0.00 C ATOM 1477 O LYS A 101 -10.322 1.244 -8.450 1.00 0.00 O ATOM 1478 CB LYS A 101 -10.684 4.301 -9.713 1.00 0.00 C ATOM 1479 CG LYS A 101 -10.028 3.635 -10.933 1.00 0.00 C ATOM 1480 CD LYS A 101 -10.975 2.821 -11.827 1.00 0.00 C ATOM 1481 CE LYS A 101 -12.193 3.636 -12.284 1.00 0.00 C ATOM 1482 NZ LYS A 101 -13.020 2.873 -13.235 1.00 0.00 N ATOM 0 H LYS A 101 -12.064 5.065 -7.847 1.00 0.00 H new ATOM 0 HA LYS A 101 -12.057 2.702 -9.451 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.377 5.068 -10.058 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.915 4.807 -9.129 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.559 4.409 -11.540 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.232 2.978 -10.583 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.430 2.467 -12.702 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.314 1.939 -11.284 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.793 3.914 -11.418 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.859 4.563 -12.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.835 3.449 -13.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.452 2.629 -14.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.357 2.001 -12.780 1.00 0.00 H new ATOM 1496 N LEU A 102 -9.940 2.836 -6.911 1.00 0.00 N ATOM 1497 CA LEU A 102 -9.102 2.005 -6.055 1.00 0.00 C ATOM 1498 C LEU A 102 -9.888 0.747 -5.683 1.00 0.00 C ATOM 1499 O LEU A 102 -9.412 -0.358 -5.927 1.00 0.00 O ATOM 1500 CB LEU A 102 -8.664 2.800 -4.811 1.00 0.00 C ATOM 1501 CG LEU A 102 -8.091 1.944 -3.670 1.00 0.00 C ATOM 1502 CD1 LEU A 102 -6.744 1.327 -4.059 1.00 0.00 C ATOM 1503 CD2 LEU A 102 -7.960 2.816 -2.417 1.00 0.00 C ATOM 0 H LEU A 102 -10.052 3.792 -6.574 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.194 1.707 -6.579 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.914 3.532 -5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.521 3.358 -4.433 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.769 1.116 -3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.366 0.728 -3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.874 0.693 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.033 2.121 -4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.554 2.220 -1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.291 3.652 -2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.941 3.198 -2.135 1.00 0.00 H new ATOM 1515 N LYS A 103 -11.086 0.908 -5.109 1.00 0.00 N ATOM 1516 CA LYS A 103 -11.930 -0.217 -4.735 1.00 0.00 C ATOM 1517 C LYS A 103 -12.127 -1.151 -5.932 1.00 0.00 C ATOM 1518 O LYS A 103 -11.899 -2.355 -5.821 1.00 0.00 O ATOM 1519 CB LYS A 103 -13.277 0.306 -4.226 1.00 0.00 C ATOM 1520 CG LYS A 103 -13.158 0.971 -2.850 1.00 0.00 C ATOM 1521 CD LYS A 103 -14.491 1.647 -2.498 1.00 0.00 C ATOM 1522 CE LYS A 103 -14.493 2.221 -1.077 1.00 0.00 C ATOM 1523 NZ LYS A 103 -13.443 3.238 -0.896 1.00 0.00 N ATOM 0 H LYS A 103 -11.490 1.820 -4.894 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.448 -0.785 -3.939 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.680 1.024 -4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.987 -0.519 -4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.903 0.228 -2.095 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.354 1.707 -2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.690 2.447 -3.211 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -15.300 0.923 -2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.467 2.662 -0.865 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -14.345 1.414 -0.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -13.551 3.686 0.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -12.508 2.786 -0.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -13.527 3.960 -1.639 1.00 0.00 H new ATOM 1537 N ALA A 104 -12.534 -0.591 -7.077 1.00 0.00 N ATOM 1538 CA ALA A 104 -12.758 -1.369 -8.289 1.00 0.00 C ATOM 1539 C ALA A 104 -11.509 -2.173 -8.674 1.00 0.00 C ATOM 1540 O ALA A 104 -11.607 -3.367 -8.955 1.00 0.00 O ATOM 1541 CB ALA A 104 -13.181 -0.438 -9.427 1.00 0.00 C ATOM 0 H ALA A 104 -12.715 0.407 -7.184 1.00 0.00 H new ATOM 0 HA ALA A 104 -13.558 -2.085 -8.100 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -13.348 -1.022 -10.332 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -14.102 0.077 -9.153 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.395 0.295 -9.608 1.00 0.00 H new ATOM 1547 N LEU A 105 -10.336 -1.534 -8.693 1.00 0.00 N ATOM 1548 CA LEU A 105 -9.095 -2.203 -9.054 1.00 0.00 C ATOM 1549 C LEU A 105 -8.771 -3.297 -8.042 1.00 0.00 C ATOM 1550 O LEU A 105 -8.474 -4.418 -8.446 1.00 0.00 O ATOM 1551 CB LEU A 105 -7.934 -1.205 -9.164 1.00 0.00 C ATOM 1552 CG LEU A 105 -8.021 -0.254 -10.371 1.00 0.00 C ATOM 1553 CD1 LEU A 105 -6.724 0.559 -10.446 1.00 0.00 C ATOM 1554 CD2 LEU A 105 -8.231 -0.998 -11.695 1.00 0.00 C ATOM 0 H LEU A 105 -10.226 -0.547 -8.460 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.230 -2.661 -10.034 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.895 -0.610 -8.251 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.998 -1.761 -9.222 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.886 0.393 -10.226 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.769 1.239 -11.297 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.602 1.134 -9.528 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.877 -0.117 -10.566 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.285 -0.279 -12.512 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.397 -1.679 -11.866 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -9.160 -1.566 -11.650 1.00 0.00 H new ATOM 1566 N VAL A 106 -8.817 -3.001 -6.740 1.00 0.00 N ATOM 1567 CA VAL A 106 -8.549 -4.013 -5.727 1.00 0.00 C ATOM 1568 C VAL A 106 -9.452 -5.213 -5.987 1.00 0.00 C ATOM 1569 O VAL A 106 -8.967 -6.331 -6.126 1.00 0.00 O ATOM 1570 CB VAL A 106 -8.772 -3.454 -4.311 1.00 0.00 C ATOM 1571 CG1 VAL A 106 -8.694 -4.572 -3.262 1.00 0.00 C ATOM 1572 CG2 VAL A 106 -7.705 -2.411 -3.971 1.00 0.00 C ATOM 0 H VAL A 106 -9.036 -2.076 -6.370 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.505 -4.320 -5.789 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.762 -2.999 -4.295 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.855 -4.151 -2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.461 -5.319 -3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.711 -5.041 -3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.879 -2.027 -2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.718 -2.871 -4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.757 -1.591 -4.687 1.00 0.00 H new ATOM 1582 N ALA A 107 -10.759 -4.968 -6.070 1.00 0.00 N ATOM 1583 CA ALA A 107 -11.738 -6.015 -6.318 1.00 0.00 C ATOM 1584 C ALA A 107 -11.344 -6.838 -7.547 1.00 0.00 C ATOM 1585 O ALA A 107 -11.203 -8.055 -7.450 1.00 0.00 O ATOM 1586 CB ALA A 107 -13.130 -5.396 -6.473 1.00 0.00 C ATOM 0 H ALA A 107 -11.164 -4.038 -5.967 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.763 -6.695 -5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.860 -6.184 -6.659 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -13.395 -4.864 -5.560 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.127 -4.699 -7.311 1.00 0.00 H new ATOM 1592 N LYS A 108 -11.136 -6.176 -8.688 1.00 0.00 N ATOM 1593 CA LYS A 108 -10.747 -6.824 -9.933 1.00 0.00 C ATOM 1594 C LYS A 108 -9.508 -7.705 -9.730 1.00 0.00 C ATOM 1595 O LYS A 108 -9.583 -8.924 -9.864 1.00 0.00 O ATOM 1596 CB LYS A 108 -10.497 -5.731 -10.989 1.00 0.00 C ATOM 1597 CG LYS A 108 -9.978 -6.265 -12.334 1.00 0.00 C ATOM 1598 CD LYS A 108 -9.588 -5.129 -13.291 1.00 0.00 C ATOM 1599 CE LYS A 108 -10.766 -4.220 -13.660 1.00 0.00 C ATOM 1600 NZ LYS A 108 -10.372 -3.223 -14.669 1.00 0.00 N ATOM 0 H LYS A 108 -11.235 -5.164 -8.769 1.00 0.00 H new ATOM 0 HA LYS A 108 -11.545 -7.483 -10.275 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.426 -5.187 -11.160 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -9.777 -5.015 -10.592 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -9.114 -6.906 -12.161 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -10.745 -6.884 -12.799 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -8.804 -4.528 -12.831 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -9.169 -5.557 -14.201 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -11.589 -4.824 -14.043 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.131 -3.713 -12.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -11.188 -2.622 -14.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.603 -2.633 -14.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -10.046 -3.709 -15.529 1.00 0.00 H new ATOM 1614 N HIS A 109 -8.381 -7.073 -9.398 1.00 0.00 N ATOM 1615 CA HIS A 109 -7.079 -7.723 -9.295 1.00 0.00 C ATOM 1616 C HIS A 109 -7.014 -8.734 -8.142 1.00 0.00 C ATOM 1617 O HIS A 109 -6.128 -9.584 -8.121 1.00 0.00 O ATOM 1618 CB HIS A 109 -5.998 -6.640 -9.192 1.00 0.00 C ATOM 1619 CG HIS A 109 -5.826 -5.855 -10.476 1.00 0.00 C ATOM 1620 ND1 HIS A 109 -4.881 -6.234 -11.428 1.00 0.00 N ATOM 1621 CD2 HIS A 109 -6.473 -4.736 -10.936 1.00 0.00 C ATOM 1622 CE1 HIS A 109 -5.016 -5.355 -12.424 1.00 0.00 C ATOM 1623 NE2 HIS A 109 -5.943 -4.424 -12.169 1.00 0.00 N ATOM 0 H HIS A 109 -8.350 -6.075 -9.190 1.00 0.00 H new ATOM 0 HA HIS A 109 -6.905 -8.315 -10.193 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -6.254 -5.954 -8.384 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.049 -7.105 -8.927 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -7.256 -4.197 -10.424 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -4.440 -5.391 -13.337 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -6.205 -3.641 -12.767 1.00 0.00 H new ATOM 1631 N ALA A 110 -7.911 -8.632 -7.155 1.00 0.00 N ATOM 1632 CA ALA A 110 -8.012 -9.608 -6.078 1.00 0.00 C ATOM 1633 C ALA A 110 -8.833 -10.807 -6.559 1.00 0.00 C ATOM 1634 O ALA A 110 -8.520 -11.946 -6.222 1.00 0.00 O ATOM 1635 CB ALA A 110 -8.670 -8.980 -4.847 1.00 0.00 C ATOM 0 H ALA A 110 -8.584 -7.869 -7.085 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.011 -9.939 -5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -8.738 -9.723 -4.052 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.071 -8.136 -4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.671 -8.634 -5.106 1.00 0.00 H new ATOM 1641 N ALA A 111 -9.905 -10.548 -7.316 1.00 0.00 N ATOM 1642 CA ALA A 111 -10.800 -11.580 -7.816 1.00 0.00 C ATOM 1643 C ALA A 111 -10.151 -12.424 -8.910 1.00 0.00 C ATOM 1644 O ALA A 111 -10.361 -13.636 -8.944 1.00 0.00 O ATOM 1645 CB ALA A 111 -12.087 -10.932 -8.335 1.00 0.00 C ATOM 0 H ALA A 111 -10.172 -9.605 -7.598 1.00 0.00 H new ATOM 0 HA ALA A 111 -11.032 -12.253 -6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -12.758 -11.705 -8.710 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.574 -10.390 -7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -11.846 -10.239 -9.141 1.00 0.00 H new ATOM 1651 N ALA A 112 -9.414 -11.788 -9.820 1.00 0.00 N ATOM 1652 CA ALA A 112 -8.757 -12.451 -10.936 1.00 0.00 C ATOM 1653 C ALA A 112 -7.362 -11.869 -11.124 1.00 0.00 C ATOM 1654 O ALA A 112 -7.246 -10.625 -11.082 1.00 0.00 O ATOM 1655 CB ALA A 112 -9.595 -12.261 -12.203 1.00 0.00 C ATOM 1656 OXT ALA A 112 -6.427 -12.677 -11.325 1.00 0.00 O ATOM 0 H ALA A 112 -9.257 -10.780 -9.798 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.665 -13.518 -10.732 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -9.105 -12.757 -13.041 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -10.584 -12.694 -12.053 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -9.693 -11.197 -12.418 1.00 0.00 H new TER 1662 ALA A 112