USER MOD reduce.3.24.130724 H: found=0, std=0, add=280, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 278 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 NoAdj-H: A 29 HIS HE2 : A 29 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -59:sc= 0.45 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 158:sc= -0.0908 (180deg=-0.879) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= -0.71 K(o=-0.71,f=0) USER MOD Single : A 32 THR OG1 : rot -68:sc= 0.553 USER MOD Single : A 34 THR OG1 : rot -8:sc= 0.0351 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 43:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.961 -3.831 5.859 1.00 0.00 N ATOM 2 CA GLY A 1 -18.014 -4.055 4.885 1.00 0.00 C ATOM 3 C GLY A 1 -18.442 -5.507 4.817 1.00 0.00 C ATOM 4 O GLY A 1 -19.231 -5.968 5.642 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.704 -2.823 5.867 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.296 -4.110 6.803 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.127 -4.399 5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.876 -3.437 5.138 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.669 -3.735 3.902 1.00 0.00 H new ATOM 8 N SER A 2 -17.922 -6.230 3.831 1.00 0.00 N ATOM 9 CA SER A 2 -18.259 -7.638 3.655 1.00 0.00 C ATOM 10 C SER A 2 -19.726 -7.801 3.268 1.00 0.00 C ATOM 11 O SER A 2 -20.417 -8.688 3.770 1.00 0.00 O ATOM 12 CB SER A 2 -17.968 -8.418 4.939 1.00 0.00 C ATOM 13 OG SER A 2 -18.114 -9.813 4.732 1.00 0.00 O ATOM 0 H SER A 2 -17.265 -5.864 3.141 1.00 0.00 H new ATOM 0 HA SER A 2 -17.643 -8.036 2.849 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.955 -8.201 5.278 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.645 -8.091 5.728 1.00 0.00 H new ATOM 0 HG SER A 2 -19.027 -10.005 4.431 1.00 0.00 H new ATOM 19 N SER A 3 -20.195 -6.938 2.373 1.00 0.00 N ATOM 20 CA SER A 3 -21.580 -6.982 1.921 1.00 0.00 C ATOM 21 C SER A 3 -21.720 -7.864 0.683 1.00 0.00 C ATOM 22 O SER A 3 -22.450 -8.854 0.692 1.00 0.00 O ATOM 23 CB SER A 3 -22.085 -5.571 1.615 1.00 0.00 C ATOM 24 OG SER A 3 -22.618 -4.957 2.775 1.00 0.00 O ATOM 0 H SER A 3 -19.636 -6.199 1.946 1.00 0.00 H new ATOM 0 HA SER A 3 -22.183 -7.410 2.721 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.268 -4.966 1.223 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.850 -5.615 0.839 1.00 0.00 H new ATOM 0 HG SER A 3 -22.932 -4.056 2.553 1.00 0.00 H new ATOM 30 N GLY A 4 -21.013 -7.495 -0.381 1.00 0.00 N ATOM 31 CA GLY A 4 -21.072 -8.262 -1.612 1.00 0.00 C ATOM 32 C GLY A 4 -19.886 -9.193 -1.772 1.00 0.00 C ATOM 33 O GLY A 4 -18.924 -9.121 -1.007 1.00 0.00 O ATOM 0 H GLY A 4 -20.401 -6.680 -0.413 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.993 -8.845 -1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.111 -7.579 -2.461 1.00 0.00 H new ATOM 37 N SER A 5 -19.955 -10.070 -2.768 1.00 0.00 N ATOM 38 CA SER A 5 -18.881 -11.023 -3.023 1.00 0.00 C ATOM 39 C SER A 5 -18.336 -10.862 -4.439 1.00 0.00 C ATOM 40 O SER A 5 -18.062 -11.847 -5.125 1.00 0.00 O ATOM 41 CB SER A 5 -19.381 -12.454 -2.816 1.00 0.00 C ATOM 42 OG SER A 5 -20.565 -12.693 -3.557 1.00 0.00 O ATOM 0 H SER A 5 -20.743 -10.141 -3.412 1.00 0.00 H new ATOM 0 HA SER A 5 -18.075 -10.822 -2.318 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.609 -13.160 -3.121 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.570 -12.627 -1.757 1.00 0.00 H new ATOM 0 HG SER A 5 -20.863 -13.615 -3.409 1.00 0.00 H new ATOM 48 N SER A 6 -18.182 -9.614 -4.869 1.00 0.00 N ATOM 49 CA SER A 6 -17.674 -9.323 -6.204 1.00 0.00 C ATOM 50 C SER A 6 -16.158 -9.155 -6.183 1.00 0.00 C ATOM 51 O SER A 6 -15.442 -9.781 -6.964 1.00 0.00 O ATOM 52 CB SER A 6 -18.331 -8.057 -6.758 1.00 0.00 C ATOM 53 OG SER A 6 -19.741 -8.188 -6.793 1.00 0.00 O ATOM 0 H SER A 6 -18.402 -8.788 -4.312 1.00 0.00 H new ATOM 0 HA SER A 6 -17.920 -10.165 -6.851 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.057 -7.201 -6.141 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.956 -7.858 -7.762 1.00 0.00 H new ATOM 0 HG SER A 6 -20.137 -7.365 -7.149 1.00 0.00 H new ATOM 59 N GLY A 7 -15.675 -8.305 -5.283 1.00 0.00 N ATOM 60 CA GLY A 7 -14.247 -8.069 -5.176 1.00 0.00 C ATOM 61 C GLY A 7 -13.900 -6.593 -5.199 1.00 0.00 C ATOM 62 O GLY A 7 -13.697 -6.013 -6.265 1.00 0.00 O ATOM 0 H GLY A 7 -16.247 -7.775 -4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.877 -8.512 -4.251 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.736 -8.572 -5.997 1.00 0.00 H new ATOM 66 N GLU A 8 -13.832 -5.985 -4.019 1.00 0.00 N ATOM 67 CA GLU A 8 -13.510 -4.567 -3.908 1.00 0.00 C ATOM 68 C GLU A 8 -12.154 -4.368 -3.236 1.00 0.00 C ATOM 69 O GLU A 8 -11.988 -4.654 -2.050 1.00 0.00 O ATOM 70 CB GLU A 8 -14.596 -3.834 -3.117 1.00 0.00 C ATOM 71 CG GLU A 8 -15.819 -3.480 -3.947 1.00 0.00 C ATOM 72 CD GLU A 8 -15.502 -2.509 -5.067 1.00 0.00 C ATOM 73 OE1 GLU A 8 -14.660 -1.611 -4.853 1.00 0.00 O ATOM 74 OE2 GLU A 8 -16.095 -2.646 -6.157 1.00 0.00 O ATOM 0 H GLU A 8 -13.995 -6.452 -3.127 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.462 -4.152 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -14.905 -4.457 -2.277 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.175 -2.920 -2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.243 -4.391 -4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -16.580 -3.045 -3.299 1.00 0.00 H new ATOM 81 N LYS A 9 -11.187 -3.876 -4.003 1.00 0.00 N ATOM 82 CA LYS A 9 -9.845 -3.638 -3.484 1.00 0.00 C ATOM 83 C LYS A 9 -9.901 -3.114 -2.053 1.00 0.00 C ATOM 84 O LYS A 9 -10.136 -1.930 -1.808 1.00 0.00 O ATOM 85 CB LYS A 9 -9.102 -2.640 -4.376 1.00 0.00 C ATOM 86 CG LYS A 9 -8.993 -3.083 -5.824 1.00 0.00 C ATOM 87 CD LYS A 9 -8.876 -1.894 -6.763 1.00 0.00 C ATOM 88 CE LYS A 9 -8.782 -2.337 -8.215 1.00 0.00 C ATOM 89 NZ LYS A 9 -8.978 -1.200 -9.156 1.00 0.00 N ATOM 0 H LYS A 9 -11.308 -3.634 -4.987 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.308 -4.586 -3.484 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.614 -1.679 -4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.100 -2.484 -3.976 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.123 -3.729 -5.943 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.869 -3.674 -6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.740 -1.242 -6.636 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.994 -1.309 -6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.808 -2.792 -8.393 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.532 -3.103 -8.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.907 -1.543 -10.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.918 -0.781 -9.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.247 -0.480 -8.988 1.00 0.00 H new ATOM 103 N PRO A 10 -9.678 -4.013 -1.084 1.00 0.00 N ATOM 104 CA PRO A 10 -9.695 -3.664 0.340 1.00 0.00 C ATOM 105 C PRO A 10 -8.507 -2.795 0.738 1.00 0.00 C ATOM 106 O PRO A 10 -8.446 -2.285 1.857 1.00 0.00 O ATOM 107 CB PRO A 10 -9.621 -5.023 1.040 1.00 0.00 C ATOM 108 CG PRO A 10 -8.956 -5.921 0.055 1.00 0.00 C ATOM 109 CD PRO A 10 -9.391 -5.441 -1.302 1.00 0.00 C ATOM 0 HA PRO A 10 -10.576 -3.080 0.605 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.051 -4.960 1.967 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.614 -5.388 1.301 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.872 -5.876 0.156 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.248 -6.959 0.214 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.610 -5.584 -2.048 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.271 -5.978 -1.655 1.00 0.00 H new ATOM 117 N TYR A 11 -7.565 -2.630 -0.184 1.00 0.00 N ATOM 118 CA TYR A 11 -6.378 -1.824 0.072 1.00 0.00 C ATOM 119 C TYR A 11 -6.411 -0.532 -0.740 1.00 0.00 C ATOM 120 O TYR A 11 -6.561 -0.558 -1.961 1.00 0.00 O ATOM 121 CB TYR A 11 -5.114 -2.618 -0.265 1.00 0.00 C ATOM 122 CG TYR A 11 -5.060 -3.977 0.395 1.00 0.00 C ATOM 123 CD1 TYR A 11 -5.642 -5.086 -0.207 1.00 0.00 C ATOM 124 CD2 TYR A 11 -4.429 -4.153 1.620 1.00 0.00 C ATOM 125 CE1 TYR A 11 -5.596 -6.330 0.392 1.00 0.00 C ATOM 126 CE2 TYR A 11 -4.376 -5.393 2.225 1.00 0.00 C ATOM 127 CZ TYR A 11 -4.962 -6.479 1.608 1.00 0.00 C ATOM 128 OH TYR A 11 -4.913 -7.716 2.208 1.00 0.00 O ATOM 0 H TYR A 11 -7.601 -3.044 -1.116 1.00 0.00 H new ATOM 0 HA TYR A 11 -6.367 -1.567 1.131 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.052 -2.745 -1.346 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.241 -2.041 0.038 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -6.139 -4.973 -1.159 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -3.972 -3.305 2.108 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -6.054 -7.181 -0.089 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -3.878 -5.512 3.176 1.00 0.00 H new ATOM 0 HH TYR A 11 -4.430 -7.648 3.058 1.00 0.00 H new ATOM 138 N GLU A 12 -6.269 0.596 -0.051 1.00 0.00 N ATOM 139 CA GLU A 12 -6.283 1.898 -0.707 1.00 0.00 C ATOM 140 C GLU A 12 -5.115 2.759 -0.233 1.00 0.00 C ATOM 141 O GLU A 12 -4.780 2.772 0.952 1.00 0.00 O ATOM 142 CB GLU A 12 -7.605 2.618 -0.433 1.00 0.00 C ATOM 143 CG GLU A 12 -8.053 3.522 -1.569 1.00 0.00 C ATOM 144 CD GLU A 12 -9.310 4.300 -1.234 1.00 0.00 C ATOM 145 OE1 GLU A 12 -9.191 5.401 -0.657 1.00 0.00 O ATOM 146 OE2 GLU A 12 -10.414 3.808 -1.550 1.00 0.00 O ATOM 0 H GLU A 12 -6.143 0.634 0.960 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.181 1.736 -1.780 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.380 1.876 -0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.504 3.213 0.475 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.252 4.220 -1.810 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.230 2.919 -2.460 1.00 0.00 H new ATOM 153 N CYS A 13 -4.499 3.475 -1.167 1.00 0.00 N ATOM 154 CA CYS A 13 -3.368 4.338 -0.848 1.00 0.00 C ATOM 155 C CYS A 13 -3.800 5.491 0.054 1.00 0.00 C ATOM 156 O CYS A 13 -4.659 6.294 -0.315 1.00 0.00 O ATOM 157 CB CYS A 13 -2.740 4.887 -2.130 1.00 0.00 C ATOM 158 SG CYS A 13 -1.034 5.493 -1.923 1.00 0.00 S ATOM 0 H CYS A 13 -4.764 3.475 -2.152 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.627 3.741 -0.316 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -2.747 4.105 -2.889 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.360 5.701 -2.506 1.00 0.00 H new ATOM 163 N THR A 14 -3.200 5.567 1.237 1.00 0.00 N ATOM 164 CA THR A 14 -3.523 6.620 2.192 1.00 0.00 C ATOM 165 C THR A 14 -2.775 7.907 1.865 1.00 0.00 C ATOM 166 O THR A 14 -2.578 8.759 2.731 1.00 0.00 O ATOM 167 CB THR A 14 -3.184 6.195 3.633 1.00 0.00 C ATOM 168 OG1 THR A 14 -1.800 5.841 3.727 1.00 0.00 O ATOM 169 CG2 THR A 14 -4.044 5.017 4.066 1.00 0.00 C ATOM 0 H THR A 14 -2.487 4.912 1.557 1.00 0.00 H new ATOM 0 HA THR A 14 -4.596 6.797 2.116 1.00 0.00 H new ATOM 0 HB THR A 14 -3.389 7.037 4.294 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.592 5.574 4.647 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.787 4.735 5.087 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.096 5.299 4.022 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.866 4.173 3.400 1.00 0.00 H new ATOM 177 N ASP A 15 -2.361 8.042 0.610 1.00 0.00 N ATOM 178 CA ASP A 15 -1.635 9.228 0.167 1.00 0.00 C ATOM 179 C ASP A 15 -2.359 9.907 -0.991 1.00 0.00 C ATOM 180 O ASP A 15 -2.348 11.132 -1.111 1.00 0.00 O ATOM 181 CB ASP A 15 -0.213 8.854 -0.253 1.00 0.00 C ATOM 182 CG ASP A 15 0.776 8.963 0.891 1.00 0.00 C ATOM 183 OD1 ASP A 15 0.907 10.067 1.460 1.00 0.00 O ATOM 184 OD2 ASP A 15 1.418 7.943 1.219 1.00 0.00 O ATOM 0 H ASP A 15 -2.515 7.345 -0.119 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.587 9.927 1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.207 7.834 -0.638 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.105 9.505 -1.068 1.00 0.00 H new ATOM 189 N CYS A 16 -2.987 9.103 -1.843 1.00 0.00 N ATOM 190 CA CYS A 16 -3.715 9.625 -2.993 1.00 0.00 C ATOM 191 C CYS A 16 -5.146 9.097 -3.016 1.00 0.00 C ATOM 192 O CYS A 16 -6.077 9.812 -3.384 1.00 0.00 O ATOM 193 CB CYS A 16 -2.998 9.247 -4.291 1.00 0.00 C ATOM 194 SG CYS A 16 -2.655 7.466 -4.458 1.00 0.00 S ATOM 0 H CYS A 16 -3.006 8.087 -1.758 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.749 10.711 -2.908 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.605 9.570 -5.137 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.057 9.794 -4.347 1.00 0.00 H new ATOM 199 N GLY A 17 -5.313 7.838 -2.621 1.00 0.00 N ATOM 200 CA GLY A 17 -6.633 7.235 -2.604 1.00 0.00 C ATOM 201 C GLY A 17 -6.743 6.054 -3.547 1.00 0.00 C ATOM 202 O GLY A 17 -7.770 5.376 -3.589 1.00 0.00 O ATOM 0 H GLY A 17 -4.558 7.225 -2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.867 6.910 -1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.375 7.985 -2.878 1.00 0.00 H new ATOM 206 N LYS A 18 -5.683 5.806 -4.309 1.00 0.00 N ATOM 207 CA LYS A 18 -5.663 4.699 -5.257 1.00 0.00 C ATOM 208 C LYS A 18 -6.123 3.405 -4.593 1.00 0.00 C ATOM 209 O LYS A 18 -6.072 3.273 -3.370 1.00 0.00 O ATOM 210 CB LYS A 18 -4.257 4.518 -5.832 1.00 0.00 C ATOM 211 CG LYS A 18 -4.008 5.324 -7.095 1.00 0.00 C ATOM 212 CD LYS A 18 -2.544 5.284 -7.503 1.00 0.00 C ATOM 213 CE LYS A 18 -2.379 5.465 -9.004 1.00 0.00 C ATOM 214 NZ LYS A 18 -1.160 4.777 -9.515 1.00 0.00 N ATOM 0 H LYS A 18 -4.825 6.358 -4.288 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.352 4.936 -6.067 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.525 4.806 -5.077 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.095 3.462 -6.047 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.623 4.932 -7.905 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.314 6.358 -6.934 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.997 6.068 -6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.106 4.333 -7.200 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.258 5.074 -9.516 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.321 6.528 -9.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.264 4.597 -10.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.328 5.380 -9.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.036 3.874 -9.015 1.00 0.00 H new ATOM 228 N ALA A 19 -6.569 2.453 -5.406 1.00 0.00 N ATOM 229 CA ALA A 19 -7.034 1.169 -4.896 1.00 0.00 C ATOM 230 C ALA A 19 -6.205 0.021 -5.463 1.00 0.00 C ATOM 231 O ALA A 19 -5.791 0.055 -6.622 1.00 0.00 O ATOM 232 CB ALA A 19 -8.506 0.973 -5.225 1.00 0.00 C ATOM 0 H ALA A 19 -6.618 2.547 -6.420 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.912 1.170 -3.813 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.840 0.010 -4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.091 1.771 -4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.644 0.997 -6.306 1.00 0.00 H new ATOM 238 N PHE A 20 -5.967 -0.994 -4.639 1.00 0.00 N ATOM 239 CA PHE A 20 -5.186 -2.152 -5.059 1.00 0.00 C ATOM 240 C PHE A 20 -5.750 -3.435 -4.456 1.00 0.00 C ATOM 241 O PHE A 20 -5.894 -3.552 -3.240 1.00 0.00 O ATOM 242 CB PHE A 20 -3.722 -1.982 -4.648 1.00 0.00 C ATOM 243 CG PHE A 20 -3.085 -0.738 -5.198 1.00 0.00 C ATOM 244 CD1 PHE A 20 -3.241 0.479 -4.555 1.00 0.00 C ATOM 245 CD2 PHE A 20 -2.331 -0.786 -6.360 1.00 0.00 C ATOM 246 CE1 PHE A 20 -2.656 1.625 -5.058 1.00 0.00 C ATOM 247 CE2 PHE A 20 -1.743 0.357 -6.868 1.00 0.00 C ATOM 248 CZ PHE A 20 -1.907 1.564 -6.217 1.00 0.00 C ATOM 0 H PHE A 20 -6.303 -1.038 -3.677 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.245 -2.225 -6.145 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.658 -1.962 -3.560 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.155 -2.850 -4.985 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.827 0.533 -3.649 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.202 -1.727 -6.874 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.784 2.567 -4.546 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.156 0.306 -7.773 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.450 2.459 -6.614 1.00 0.00 H new ATOM 258 N GLY A 21 -6.068 -4.397 -5.318 1.00 0.00 N ATOM 259 CA GLY A 21 -6.613 -5.659 -4.853 1.00 0.00 C ATOM 260 C GLY A 21 -5.627 -6.440 -4.007 1.00 0.00 C ATOM 261 O GLY A 21 -6.016 -7.324 -3.243 1.00 0.00 O ATOM 0 H GLY A 21 -5.958 -4.324 -6.329 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.515 -5.469 -4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.908 -6.262 -5.712 1.00 0.00 H new ATOM 265 N LEU A 22 -4.346 -6.116 -4.145 1.00 0.00 N ATOM 266 CA LEU A 22 -3.300 -6.796 -3.389 1.00 0.00 C ATOM 267 C LEU A 22 -2.637 -5.842 -2.399 1.00 0.00 C ATOM 268 O LEU A 22 -2.667 -4.625 -2.578 1.00 0.00 O ATOM 269 CB LEU A 22 -2.249 -7.373 -4.339 1.00 0.00 C ATOM 270 CG LEU A 22 -2.491 -8.806 -4.815 1.00 0.00 C ATOM 271 CD1 LEU A 22 -1.243 -9.365 -5.481 1.00 0.00 C ATOM 272 CD2 LEU A 22 -2.919 -9.690 -3.652 1.00 0.00 C ATOM 0 H LEU A 22 -4.007 -5.387 -4.773 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.761 -7.610 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.185 -6.726 -5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.279 -7.335 -3.843 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.296 -8.793 -5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.434 -10.385 -5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.981 -8.747 -6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.419 -9.364 -4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.087 -10.706 -4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.137 -9.697 -2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.841 -9.301 -3.219 1.00 0.00 H new ATOM 284 N LYS A 23 -2.038 -6.405 -1.355 1.00 0.00 N ATOM 285 CA LYS A 23 -1.364 -5.606 -0.338 1.00 0.00 C ATOM 286 C LYS A 23 0.021 -5.178 -0.811 1.00 0.00 C ATOM 287 O LYS A 23 0.556 -4.165 -0.361 1.00 0.00 O ATOM 288 CB LYS A 23 -1.246 -6.398 0.966 1.00 0.00 C ATOM 289 CG LYS A 23 -0.318 -5.760 1.985 1.00 0.00 C ATOM 290 CD LYS A 23 -0.999 -4.620 2.723 1.00 0.00 C ATOM 291 CE LYS A 23 -0.161 -4.136 3.896 1.00 0.00 C ATOM 292 NZ LYS A 23 -1.002 -3.524 4.963 1.00 0.00 N ATOM 0 H LYS A 23 -2.005 -7.411 -1.191 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.961 -4.711 -0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.237 -6.505 1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.888 -7.402 0.740 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.010 -6.513 2.701 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.575 -5.387 1.482 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.175 -3.793 2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.974 -4.949 3.082 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.400 -4.973 4.311 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.568 -3.406 3.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.394 -3.207 5.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.519 -2.710 4.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.681 -4.228 5.316 1.00 0.00 H new ATOM 306 N SER A 24 0.597 -5.956 -1.723 1.00 0.00 N ATOM 307 CA SER A 24 1.921 -5.658 -2.256 1.00 0.00 C ATOM 308 C SER A 24 1.834 -4.639 -3.388 1.00 0.00 C ATOM 309 O SER A 24 2.738 -3.825 -3.574 1.00 0.00 O ATOM 310 CB SER A 24 2.592 -6.938 -2.757 1.00 0.00 C ATOM 311 OG SER A 24 2.300 -7.165 -4.125 1.00 0.00 O ATOM 0 H SER A 24 0.167 -6.797 -2.108 1.00 0.00 H new ATOM 0 HA SER A 24 2.522 -5.232 -1.452 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.671 -6.865 -2.620 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.252 -7.787 -2.164 1.00 0.00 H new ATOM 0 HG SER A 24 2.742 -7.988 -4.422 1.00 0.00 H new ATOM 317 N GLN A 25 0.740 -4.691 -4.140 1.00 0.00 N ATOM 318 CA GLN A 25 0.535 -3.773 -5.254 1.00 0.00 C ATOM 319 C GLN A 25 0.362 -2.342 -4.756 1.00 0.00 C ATOM 320 O GLN A 25 0.594 -1.384 -5.495 1.00 0.00 O ATOM 321 CB GLN A 25 -0.690 -4.193 -6.069 1.00 0.00 C ATOM 322 CG GLN A 25 -0.413 -5.330 -7.040 1.00 0.00 C ATOM 323 CD GLN A 25 -1.290 -5.268 -8.276 1.00 0.00 C ATOM 324 OE1 GLN A 25 -0.856 -4.816 -9.336 1.00 0.00 O ATOM 325 NE2 GLN A 25 -2.530 -5.724 -8.146 1.00 0.00 N ATOM 0 H GLN A 25 -0.018 -5.359 -3.998 1.00 0.00 H new ATOM 0 HA GLN A 25 1.418 -3.812 -5.891 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.485 -4.494 -5.386 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.058 -3.332 -6.626 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.634 -5.299 -7.340 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.572 -6.282 -6.534 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.847 -6.090 -7.248 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.165 -5.709 -8.944 1.00 0.00 H new ATOM 334 N LEU A 26 -0.047 -2.203 -3.500 1.00 0.00 N ATOM 335 CA LEU A 26 -0.251 -0.888 -2.902 1.00 0.00 C ATOM 336 C LEU A 26 1.048 -0.352 -2.309 1.00 0.00 C ATOM 337 O LEU A 26 1.411 0.804 -2.529 1.00 0.00 O ATOM 338 CB LEU A 26 -1.329 -0.960 -1.819 1.00 0.00 C ATOM 339 CG LEU A 26 -1.394 0.227 -0.857 1.00 0.00 C ATOM 340 CD1 LEU A 26 -1.747 1.502 -1.607 1.00 0.00 C ATOM 341 CD2 LEU A 26 -2.403 -0.039 0.251 1.00 0.00 C ATOM 0 H LEU A 26 -0.244 -2.985 -2.875 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.579 -0.206 -3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.299 -1.061 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.170 -1.867 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.412 0.357 -0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.789 2.336 -0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.988 1.701 -2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.717 1.384 -2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.436 0.816 0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.390 -0.195 -0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.107 -0.929 0.807 1.00 0.00 H new ATOM 353 N ILE A 27 1.744 -1.199 -1.559 1.00 0.00 N ATOM 354 CA ILE A 27 3.004 -0.811 -0.938 1.00 0.00 C ATOM 355 C ILE A 27 3.999 -0.311 -1.979 1.00 0.00 C ATOM 356 O ILE A 27 4.603 0.750 -1.816 1.00 0.00 O ATOM 357 CB ILE A 27 3.635 -1.984 -0.164 1.00 0.00 C ATOM 358 CG1 ILE A 27 2.670 -2.493 0.909 1.00 0.00 C ATOM 359 CG2 ILE A 27 4.954 -1.557 0.462 1.00 0.00 C ATOM 360 CD1 ILE A 27 2.969 -3.902 1.371 1.00 0.00 C ATOM 0 H ILE A 27 1.457 -2.159 -1.367 1.00 0.00 H new ATOM 0 HA ILE A 27 2.776 -0.006 -0.240 1.00 0.00 H new ATOM 0 HB ILE A 27 3.833 -2.797 -0.863 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.707 -1.822 1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.653 -2.455 0.519 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.388 -2.397 1.005 1.00 0.00 H new ATOM 0 HG22 ILE A 27 5.642 -1.237 -0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.779 -0.730 1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.246 -4.197 2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.903 -4.584 0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.974 -3.941 1.791 1.00 0.00 H new ATOM 372 N ILE A 28 4.164 -1.080 -3.050 1.00 0.00 N ATOM 373 CA ILE A 28 5.084 -0.712 -4.120 1.00 0.00 C ATOM 374 C ILE A 28 4.705 0.631 -4.733 1.00 0.00 C ATOM 375 O ILE A 28 5.571 1.413 -5.127 1.00 0.00 O ATOM 376 CB ILE A 28 5.113 -1.781 -5.229 1.00 0.00 C ATOM 377 CG1 ILE A 28 5.575 -3.124 -4.661 1.00 0.00 C ATOM 378 CG2 ILE A 28 6.021 -1.339 -6.366 1.00 0.00 C ATOM 379 CD1 ILE A 28 5.152 -4.311 -5.497 1.00 0.00 C ATOM 0 H ILE A 28 3.673 -1.961 -3.200 1.00 0.00 H new ATOM 0 HA ILE A 28 6.075 -0.637 -3.673 1.00 0.00 H new ATOM 0 HB ILE A 28 4.104 -1.903 -5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.662 -3.119 -4.576 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.177 -3.239 -3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.031 -2.104 -7.142 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.651 -0.403 -6.784 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.033 -1.192 -5.988 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.514 -5.229 -5.035 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.064 -4.341 -5.562 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.572 -4.219 -6.498 1.00 0.00 H new ATOM 391 N HIS A 29 3.404 0.895 -4.810 1.00 0.00 N ATOM 392 CA HIS A 29 2.909 2.146 -5.374 1.00 0.00 C ATOM 393 C HIS A 29 3.294 3.329 -4.491 1.00 0.00 C ATOM 394 O HIS A 29 3.889 4.298 -4.961 1.00 0.00 O ATOM 395 CB HIS A 29 1.390 2.090 -5.538 1.00 0.00 C ATOM 396 CG HIS A 29 0.755 3.437 -5.699 1.00 0.00 C ATOM 397 ND1 HIS A 29 0.844 4.178 -6.859 1.00 0.00 N ATOM 398 CD2 HIS A 29 0.017 4.177 -4.838 1.00 0.00 C ATOM 399 CE1 HIS A 29 0.190 5.315 -6.704 1.00 0.00 C ATOM 400 NE2 HIS A 29 -0.322 5.339 -5.487 1.00 0.00 N ATOM 0 H HIS A 29 2.674 0.259 -4.489 1.00 0.00 H new ATOM 0 HA HIS A 29 3.368 2.282 -6.353 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.149 1.478 -6.407 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.957 1.595 -4.669 1.00 0.00 H new ATOM 0 HD1 HIS A 29 1.338 3.892 -7.705 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.254 3.904 -3.829 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.091 6.093 -7.447 1.00 0.00 H new ATOM 408 N GLN A 30 2.949 3.243 -3.210 1.00 0.00 N ATOM 409 CA GLN A 30 3.258 4.307 -2.263 1.00 0.00 C ATOM 410 C GLN A 30 4.689 4.801 -2.446 1.00 0.00 C ATOM 411 O GLN A 30 5.017 5.931 -2.084 1.00 0.00 O ATOM 412 CB GLN A 30 3.055 3.817 -0.828 1.00 0.00 C ATOM 413 CG GLN A 30 1.593 3.671 -0.436 1.00 0.00 C ATOM 414 CD GLN A 30 1.417 3.101 0.958 1.00 0.00 C ATOM 415 OE1 GLN A 30 1.481 3.827 1.950 1.00 0.00 O ATOM 416 NE2 GLN A 30 1.193 1.795 1.039 1.00 0.00 N ATOM 0 H GLN A 30 2.456 2.448 -2.805 1.00 0.00 H new ATOM 0 HA GLN A 30 2.579 5.138 -2.455 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.553 2.855 -0.708 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.538 4.514 -0.143 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.107 4.645 -0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.091 3.024 -1.155 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.148 1.232 0.190 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.066 1.355 1.950 1.00 0.00 H new ATOM 425 N ARG A 31 5.537 3.947 -3.010 1.00 0.00 N ATOM 426 CA ARG A 31 6.933 4.297 -3.240 1.00 0.00 C ATOM 427 C ARG A 31 7.045 5.576 -4.064 1.00 0.00 C ATOM 428 O ARG A 31 7.890 6.430 -3.794 1.00 0.00 O ATOM 429 CB ARG A 31 7.657 3.153 -3.953 1.00 0.00 C ATOM 430 CG ARG A 31 7.699 1.863 -3.149 1.00 0.00 C ATOM 431 CD ARG A 31 8.836 0.961 -3.603 1.00 0.00 C ATOM 432 NE ARG A 31 10.139 1.471 -3.184 1.00 0.00 N ATOM 433 CZ ARG A 31 11.287 1.094 -3.736 1.00 0.00 C ATOM 434 NH1 ARG A 31 11.293 0.209 -4.723 1.00 0.00 N ATOM 435 NH2 ARG A 31 12.433 1.603 -3.301 1.00 0.00 N ATOM 0 H ARG A 31 5.281 3.008 -3.316 1.00 0.00 H new ATOM 0 HA ARG A 31 7.403 4.468 -2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.165 2.961 -4.906 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.677 3.464 -4.178 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.818 2.096 -2.091 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.751 1.336 -3.254 1.00 0.00 H new ATOM 0 HD2 ARG A 31 8.690 -0.039 -3.196 1.00 0.00 H new ATOM 0 HD3 ARG A 31 8.815 0.869 -4.689 1.00 0.00 H new ATOM 0 HE ARG A 31 10.169 2.154 -2.427 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.415 -0.184 -5.061 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.176 -0.078 -5.145 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.433 2.284 -2.542 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.314 1.313 -3.726 1.00 0.00 H new ATOM 449 N THR A 32 6.187 5.702 -5.072 1.00 0.00 N ATOM 450 CA THR A 32 6.190 6.875 -5.936 1.00 0.00 C ATOM 451 C THR A 32 6.020 8.155 -5.127 1.00 0.00 C ATOM 452 O THR A 32 6.630 9.180 -5.432 1.00 0.00 O ATOM 453 CB THR A 32 5.073 6.797 -6.993 1.00 0.00 C ATOM 454 OG1 THR A 32 3.792 6.880 -6.358 1.00 0.00 O ATOM 455 CG2 THR A 32 5.168 5.503 -7.787 1.00 0.00 C ATOM 0 H THR A 32 5.481 5.005 -5.310 1.00 0.00 H new ATOM 0 HA THR A 32 7.156 6.893 -6.440 1.00 0.00 H new ATOM 0 HB THR A 32 5.193 7.635 -7.679 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.638 6.072 -5.825 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.369 5.471 -8.527 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.133 5.456 -8.292 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.071 4.653 -7.111 1.00 0.00 H new ATOM 463 N HIS A 33 5.188 8.089 -4.092 1.00 0.00 N ATOM 464 CA HIS A 33 4.938 9.244 -3.237 1.00 0.00 C ATOM 465 C HIS A 33 6.185 9.606 -2.435 1.00 0.00 C ATOM 466 O HIS A 33 6.594 10.766 -2.392 1.00 0.00 O ATOM 467 CB HIS A 33 3.772 8.962 -2.289 1.00 0.00 C ATOM 468 CG HIS A 33 2.447 8.866 -2.982 1.00 0.00 C ATOM 469 ND1 HIS A 33 1.926 9.883 -3.753 1.00 0.00 N ATOM 470 CD2 HIS A 33 1.537 7.864 -3.017 1.00 0.00 C ATOM 471 CE1 HIS A 33 0.752 9.512 -4.232 1.00 0.00 C ATOM 472 NE2 HIS A 33 0.493 8.291 -3.800 1.00 0.00 N ATOM 0 H HIS A 33 4.676 7.248 -3.825 1.00 0.00 H new ATOM 0 HA HIS A 33 4.680 10.088 -3.876 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.963 8.030 -1.758 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.724 9.752 -1.539 1.00 0.00 H new ATOM 0 HD1 HIS A 33 2.376 10.782 -3.927 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.617 6.908 -2.522 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.113 10.106 -4.868 1.00 0.00 H new ATOM 480 N THR A 34 6.785 8.604 -1.799 1.00 0.00 N ATOM 481 CA THR A 34 7.983 8.816 -0.997 1.00 0.00 C ATOM 482 C THR A 34 9.229 8.870 -1.874 1.00 0.00 C ATOM 483 O THR A 34 10.250 8.261 -1.557 1.00 0.00 O ATOM 484 CB THR A 34 8.158 7.706 0.056 1.00 0.00 C ATOM 485 OG1 THR A 34 8.280 6.433 -0.589 1.00 0.00 O ATOM 486 CG2 THR A 34 6.979 7.682 1.018 1.00 0.00 C ATOM 0 H THR A 34 6.460 7.637 -1.824 1.00 0.00 H new ATOM 0 HA THR A 34 7.858 9.772 -0.489 1.00 0.00 H new ATOM 0 HB THR A 34 9.065 7.914 0.623 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.097 6.533 -1.547 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.125 6.890 1.753 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.907 8.642 1.529 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.060 7.497 0.462 1.00 0.00 H new ATOM 494 N GLY A 35 9.139 9.605 -2.978 1.00 0.00 N ATOM 495 CA GLY A 35 10.267 9.725 -3.883 1.00 0.00 C ATOM 496 C GLY A 35 9.896 10.410 -5.184 1.00 0.00 C ATOM 497 O GLY A 35 9.975 9.807 -6.254 1.00 0.00 O ATOM 0 H GLY A 35 8.305 10.119 -3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.063 10.287 -3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.663 8.733 -4.098 1.00 0.00 H new ATOM 501 N GLU A 36 9.490 11.672 -5.092 1.00 0.00 N ATOM 502 CA GLU A 36 9.103 12.438 -6.271 1.00 0.00 C ATOM 503 C GLU A 36 10.193 13.435 -6.654 1.00 0.00 C ATOM 504 O GLU A 36 10.670 13.443 -7.788 1.00 0.00 O ATOM 505 CB GLU A 36 7.787 13.176 -6.018 1.00 0.00 C ATOM 506 CG GLU A 36 6.554 12.320 -6.254 1.00 0.00 C ATOM 507 CD GLU A 36 5.276 13.137 -6.295 1.00 0.00 C ATOM 508 OE1 GLU A 36 5.288 14.228 -6.902 1.00 0.00 O ATOM 509 OE2 GLU A 36 4.265 12.683 -5.719 1.00 0.00 O ATOM 0 H GLU A 36 9.420 12.186 -4.214 1.00 0.00 H new ATOM 0 HA GLU A 36 8.966 11.740 -7.097 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.776 13.539 -4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.741 14.051 -6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.666 11.780 -7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.478 11.573 -5.464 1.00 0.00 H new ATOM 516 N SER A 37 10.581 14.274 -5.699 1.00 0.00 N ATOM 517 CA SER A 37 11.611 15.278 -5.936 1.00 0.00 C ATOM 518 C SER A 37 12.079 15.898 -4.623 1.00 0.00 C ATOM 519 O SER A 37 11.534 15.609 -3.558 1.00 0.00 O ATOM 520 CB SER A 37 11.084 16.370 -6.869 1.00 0.00 C ATOM 521 OG SER A 37 10.166 17.216 -6.197 1.00 0.00 O ATOM 0 H SER A 37 10.197 14.278 -4.754 1.00 0.00 H new ATOM 0 HA SER A 37 12.461 14.785 -6.408 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.917 16.961 -7.249 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.598 15.913 -7.731 1.00 0.00 H new ATOM 0 HG SER A 37 9.845 17.906 -6.814 1.00 0.00 H new ATOM 527 N GLY A 38 13.094 16.753 -4.707 1.00 0.00 N ATOM 528 CA GLY A 38 13.619 17.400 -3.519 1.00 0.00 C ATOM 529 C GLY A 38 12.552 18.152 -2.749 1.00 0.00 C ATOM 530 O GLY A 38 11.821 17.580 -1.940 1.00 0.00 O ATOM 0 H GLY A 38 13.562 17.009 -5.577 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.070 16.650 -2.870 1.00 0.00 H new ATOM 0 HA3 GLY A 38 14.411 18.092 -3.806 1.00 0.00 H new ATOM 534 N PRO A 39 12.452 19.466 -2.997 1.00 0.00 N ATOM 535 CA PRO A 39 11.470 20.326 -2.329 1.00 0.00 C ATOM 536 C PRO A 39 10.043 20.033 -2.780 1.00 0.00 C ATOM 537 O PRO A 39 9.518 20.692 -3.678 1.00 0.00 O ATOM 538 CB PRO A 39 11.887 21.736 -2.754 1.00 0.00 C ATOM 539 CG PRO A 39 12.602 21.547 -4.047 1.00 0.00 C ATOM 540 CD PRO A 39 13.291 20.214 -3.948 1.00 0.00 C ATOM 0 HA PRO A 39 11.463 20.176 -1.249 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.020 22.386 -2.873 1.00 0.00 H new ATOM 0 HB3 PRO A 39 12.533 22.199 -2.008 1.00 0.00 H new ATOM 0 HG2 PRO A 39 11.905 21.565 -4.885 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.323 22.347 -4.215 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.343 19.716 -4.916 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.314 20.316 -3.587 1.00 0.00 H new ATOM 548 N SER A 40 9.420 19.042 -2.151 1.00 0.00 N ATOM 549 CA SER A 40 8.054 18.661 -2.490 1.00 0.00 C ATOM 550 C SER A 40 7.078 19.786 -2.159 1.00 0.00 C ATOM 551 O SER A 40 7.268 20.523 -1.192 1.00 0.00 O ATOM 552 CB SER A 40 7.656 17.388 -1.739 1.00 0.00 C ATOM 553 OG SER A 40 6.301 17.055 -1.984 1.00 0.00 O ATOM 0 H SER A 40 9.839 18.488 -1.404 1.00 0.00 H new ATOM 0 HA SER A 40 8.012 18.470 -3.562 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.298 16.563 -2.048 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.812 17.529 -0.669 1.00 0.00 H new ATOM 0 HG SER A 40 6.071 16.237 -1.495 1.00 0.00 H new ATOM 559 N SER A 41 6.032 19.911 -2.970 1.00 0.00 N ATOM 560 CA SER A 41 5.027 20.948 -2.767 1.00 0.00 C ATOM 561 C SER A 41 3.812 20.708 -3.658 1.00 0.00 C ATOM 562 O SER A 41 3.851 19.885 -4.572 1.00 0.00 O ATOM 563 CB SER A 41 5.622 22.327 -3.057 1.00 0.00 C ATOM 564 OG SER A 41 6.187 22.895 -1.887 1.00 0.00 O ATOM 0 H SER A 41 5.859 19.307 -3.774 1.00 0.00 H new ATOM 0 HA SER A 41 4.706 20.910 -1.726 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.386 22.242 -3.829 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.847 22.986 -3.447 1.00 0.00 H new ATOM 0 HG SER A 41 6.692 22.210 -1.402 1.00 0.00 H new ATOM 570 N GLY A 42 2.733 21.435 -3.384 1.00 0.00 N ATOM 571 CA GLY A 42 1.521 21.288 -4.168 1.00 0.00 C ATOM 572 C GLY A 42 1.074 22.593 -4.796 1.00 0.00 C ATOM 573 O GLY A 42 1.303 23.649 -4.208 1.00 0.00 O ATOM 0 H GLY A 42 2.677 22.123 -2.633 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.687 20.549 -4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.724 20.903 -3.531 1.00 0.00 H new TER 577 GLY A 42 HETATM 578 ZN ZN A 201 -0.674 6.637 -3.970 1.00 0.00 ZN