USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 397 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 44 SER OG : rot -63:sc= -0.0957 USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 1.13 USER MOD Single : A 1 LEU N :NH3+ -116:sc= 0.0205 (180deg=-0.789) USER MOD Single : A 5 SER OG : rot 180:sc= -0.143 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= -0.943 USER MOD Single : A 13 LYS NZ :NH3+ -113:sc= 1.02 (180deg=-1.05) USER MOD Single : A 17 THR OG1 : rot -92:sc= 0.0432 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.6 X(o=-1.6,f=-1.7) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.108 USER MOD Single : A 33 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.59) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN :FLIP amide:sc= -4.78! C(o=-5.5!,f=-4.8!) USER MOD Single : A 45 ASN : amide:sc= -1.21 K(o=-1.2,f=-4.5!) USER MOD Single : A 49 THR OG1 : rot -47:sc= 0.0463 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= -2.53 K(o=-2.5,f=-3.8!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 9.409 16.787 5.746 1.00 0.00 N ATOM 2 CA LEU A 1 9.718 15.931 6.906 1.00 0.00 C ATOM 3 C LEU A 1 8.670 14.836 7.033 1.00 0.00 C ATOM 4 O LEU A 1 7.826 14.658 6.153 1.00 0.00 O ATOM 5 CB LEU A 1 9.831 16.846 8.131 1.00 0.00 C ATOM 6 CG LEU A 1 11.225 17.299 8.530 1.00 0.00 C ATOM 7 CD1 LEU A 1 12.180 16.117 8.616 1.00 0.00 C ATOM 8 CD2 LEU A 1 11.725 18.304 7.498 1.00 0.00 C ATOM 0 H1 LEU A 1 10.169 16.703 5.041 1.00 0.00 H new ATOM 0 H2 LEU A 1 8.508 16.486 5.322 1.00 0.00 H new ATOM 0 H3 LEU A 1 9.332 17.777 6.056 1.00 0.00 H new ATOM 0 HA LEU A 1 10.666 15.405 6.796 1.00 0.00 H new ATOM 0 HB2 LEU A 1 9.226 17.734 7.947 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.387 16.329 8.982 1.00 0.00 H new ATOM 0 HG LEU A 1 11.183 17.763 9.515 1.00 0.00 H new ATOM 0 HD11 LEU A 1 13.171 16.470 8.903 1.00 0.00 H new ATOM 0 HD12 LEU A 1 11.817 15.409 9.361 1.00 0.00 H new ATOM 0 HD13 LEU A 1 12.238 15.625 7.645 1.00 0.00 H new ATOM 0 HD21 LEU A 1 12.726 18.639 7.771 1.00 0.00 H new ATOM 0 HD22 LEU A 1 11.756 17.832 6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 1 11.051 19.161 7.468 1.00 0.00 H new ATOM 22 N ALA A 2 8.845 13.990 8.045 1.00 0.00 N ATOM 23 CA ALA A 2 8.058 12.769 8.163 1.00 0.00 C ATOM 24 C ALA A 2 8.306 11.860 6.963 1.00 0.00 C ATOM 25 O ALA A 2 9.375 11.896 6.354 1.00 0.00 O ATOM 26 CB ALA A 2 6.577 13.104 8.303 1.00 0.00 C ATOM 0 H ALA A 2 9.524 14.129 8.793 1.00 0.00 H new ATOM 0 HA ALA A 2 8.369 12.235 9.061 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.002 12.182 8.390 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.424 13.712 9.194 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.245 13.657 7.425 1.00 0.00 H new ATOM 32 N ALA A 3 7.398 10.905 6.776 1.00 0.00 N ATOM 33 CA ALA A 3 7.613 9.828 5.817 1.00 0.00 C ATOM 34 C ALA A 3 6.339 9.003 5.656 1.00 0.00 C ATOM 35 O ALA A 3 5.888 8.351 6.599 1.00 0.00 O ATOM 36 CB ALA A 3 8.782 8.954 6.258 1.00 0.00 C ATOM 0 H ALA A 3 6.510 10.856 7.275 1.00 0.00 H new ATOM 0 HA ALA A 3 7.861 10.260 4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.932 8.154 5.533 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.686 9.560 6.321 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.565 8.523 7.235 1.00 0.00 H new ATOM 42 N VAL A 4 5.908 8.859 4.406 1.00 0.00 N ATOM 43 CA VAL A 4 4.881 7.882 4.064 1.00 0.00 C ATOM 44 C VAL A 4 5.449 6.820 3.130 1.00 0.00 C ATOM 45 O VAL A 4 5.757 7.089 1.971 1.00 0.00 O ATOM 46 CB VAL A 4 3.631 8.591 3.503 1.00 0.00 C ATOM 47 CG1 VAL A 4 3.849 9.137 2.097 1.00 0.00 C ATOM 48 CG2 VAL A 4 2.406 7.692 3.552 1.00 0.00 C ATOM 0 H VAL A 4 6.253 9.405 3.616 1.00 0.00 H new ATOM 0 HA VAL A 4 4.558 7.357 4.963 1.00 0.00 H new ATOM 0 HB VAL A 4 3.449 9.446 4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.938 9.626 1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.666 9.859 2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.099 8.318 1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.546 8.227 3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.588 6.796 2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.204 7.408 4.585 1.00 0.00 H new ATOM 58 N SER A 5 5.492 5.585 3.626 1.00 0.00 N ATOM 59 CA SER A 5 5.851 4.446 2.795 1.00 0.00 C ATOM 60 C SER A 5 5.747 3.149 3.604 1.00 0.00 C ATOM 61 O SER A 5 6.747 2.665 4.139 1.00 0.00 O ATOM 62 CB SER A 5 7.231 4.603 2.179 1.00 0.00 C ATOM 63 OG SER A 5 8.052 5.467 2.946 1.00 0.00 O ATOM 0 H SER A 5 5.283 5.352 4.597 1.00 0.00 H new ATOM 0 HA SER A 5 5.143 4.399 1.968 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.707 3.626 2.098 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.135 4.996 1.167 1.00 0.00 H new ATOM 0 HG SER A 5 8.932 5.544 2.522 1.00 0.00 H new ATOM 69 N VAL A 6 4.641 2.443 3.385 1.00 0.00 N ATOM 70 CA VAL A 6 4.542 1.032 3.749 1.00 0.00 C ATOM 71 C VAL A 6 5.586 0.217 2.996 1.00 0.00 C ATOM 72 O VAL A 6 6.046 0.613 1.924 1.00 0.00 O ATOM 73 CB VAL A 6 3.095 0.543 3.525 1.00 0.00 C ATOM 74 CG1 VAL A 6 2.936 -0.953 3.759 1.00 0.00 C ATOM 75 CG2 VAL A 6 2.102 1.332 4.365 1.00 0.00 C ATOM 0 H VAL A 6 3.798 2.826 2.956 1.00 0.00 H new ATOM 0 HA VAL A 6 4.762 0.896 4.808 1.00 0.00 H new ATOM 0 HB VAL A 6 2.872 0.725 2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.899 -1.240 3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.582 -1.499 3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.213 -1.192 4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.094 0.960 4.181 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.345 1.215 5.421 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.154 2.387 4.095 1.00 0.00 H new ATOM 85 N ASP A 7 6.107 -0.804 3.671 1.00 0.00 N ATOM 86 CA ASP A 7 7.265 -1.536 3.174 1.00 0.00 C ATOM 87 C ASP A 7 6.823 -2.623 2.197 1.00 0.00 C ATOM 88 O ASP A 7 5.771 -3.239 2.379 1.00 0.00 O ATOM 89 CB ASP A 7 8.143 -2.041 4.316 1.00 0.00 C ATOM 90 CG ASP A 7 7.559 -3.240 5.038 1.00 0.00 C ATOM 91 OD1 ASP A 7 6.319 -3.240 5.199 1.00 0.00 O ATOM 92 OD2 ASP A 7 8.288 -4.172 5.412 1.00 0.00 O ATOM 0 H ASP A 7 5.745 -1.142 4.563 1.00 0.00 H new ATOM 0 HA ASP A 7 7.904 -0.857 2.610 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.124 -2.306 3.921 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.295 -1.233 5.032 1.00 0.00 H new ATOM 97 N CYS A 8 7.501 -2.676 1.052 1.00 0.00 N ATOM 98 CA CYS A 8 6.969 -3.381 -0.112 1.00 0.00 C ATOM 99 C CYS A 8 7.982 -4.404 -0.617 1.00 0.00 C ATOM 100 O CYS A 8 8.034 -4.711 -1.808 1.00 0.00 O ATOM 101 CB CYS A 8 6.562 -2.405 -1.213 1.00 0.00 C ATOM 102 SG CYS A 8 5.389 -1.129 -0.690 1.00 0.00 S ATOM 0 H CYS A 8 8.413 -2.243 0.906 1.00 0.00 H new ATOM 0 HA CYS A 8 6.068 -3.915 0.190 1.00 0.00 H new ATOM 0 HB2 CYS A 8 7.458 -1.920 -1.600 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.123 -2.968 -2.036 1.00 0.00 H new ATOM 107 N SER A 9 8.983 -4.657 0.233 1.00 0.00 N ATOM 108 CA SER A 9 10.097 -5.512 -0.144 1.00 0.00 C ATOM 109 C SER A 9 9.622 -6.924 -0.470 1.00 0.00 C ATOM 110 O SER A 9 10.394 -7.742 -0.980 1.00 0.00 O ATOM 111 CB SER A 9 11.179 -5.530 0.930 1.00 0.00 C ATOM 112 OG SER A 9 12.415 -5.054 0.427 1.00 0.00 O ATOM 0 H SER A 9 9.038 -4.281 1.180 1.00 0.00 H new ATOM 0 HA SER A 9 10.540 -5.091 -1.047 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.867 -4.915 1.774 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.304 -6.546 1.305 1.00 0.00 H new ATOM 0 HG SER A 9 13.088 -5.076 1.139 1.00 0.00 H new ATOM 118 N GLU A 10 8.458 -7.277 0.067 1.00 0.00 N ATOM 119 CA GLU A 10 8.052 -8.678 0.166 1.00 0.00 C ATOM 120 C GLU A 10 6.887 -8.955 -0.774 1.00 0.00 C ATOM 121 O GLU A 10 5.962 -9.697 -0.450 1.00 0.00 O ATOM 122 CB GLU A 10 7.673 -8.934 1.631 1.00 0.00 C ATOM 123 CG GLU A 10 8.370 -8.394 2.743 1.00 0.00 C ATOM 124 CD GLU A 10 8.282 -6.912 2.960 1.00 0.00 C ATOM 125 OE1 GLU A 10 7.101 -6.496 2.872 1.00 0.00 O ATOM 126 OE2 GLU A 10 9.244 -6.159 2.851 1.00 0.00 O ATOM 0 H GLU A 10 7.779 -6.614 0.440 1.00 0.00 H new ATOM 0 HA GLU A 10 8.859 -9.348 -0.130 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.637 -8.611 1.737 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.685 -10.016 1.762 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.003 -8.888 3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.423 -8.657 2.641 1.00 0.00 H new ATOM 133 N TYR A 11 6.930 -8.316 -1.942 1.00 0.00 N ATOM 134 CA TYR A 11 5.775 -8.301 -2.835 1.00 0.00 C ATOM 135 C TYR A 11 6.244 -8.385 -4.291 1.00 0.00 C ATOM 136 O TYR A 11 7.306 -7.838 -4.619 1.00 0.00 O ATOM 137 CB TYR A 11 4.924 -7.037 -2.607 1.00 0.00 C ATOM 138 CG TYR A 11 4.301 -6.948 -1.232 1.00 0.00 C ATOM 139 CD1 TYR A 11 5.073 -6.549 -0.138 1.00 0.00 C ATOM 140 CD2 TYR A 11 3.021 -7.448 -0.981 1.00 0.00 C ATOM 141 CE1 TYR A 11 4.534 -6.491 1.143 1.00 0.00 C ATOM 142 CE2 TYR A 11 2.468 -7.408 0.298 1.00 0.00 C ATOM 143 CZ TYR A 11 3.234 -6.929 1.360 1.00 0.00 C ATOM 144 OH TYR A 11 2.760 -6.915 2.642 1.00 0.00 O ATOM 0 H TYR A 11 7.743 -7.807 -2.289 1.00 0.00 H new ATOM 0 HA TYR A 11 5.150 -9.167 -2.616 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.549 -6.158 -2.768 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.132 -7.006 -3.355 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.108 -6.280 -0.290 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.449 -7.873 -1.793 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.123 -6.108 1.963 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.456 -7.745 0.465 1.00 0.00 H new ATOM 0 HH TYR A 11 1.837 -7.245 2.653 1.00 0.00 H new ATOM 154 N PRO A 12 5.406 -8.871 -5.214 1.00 0.00 N ATOM 155 CA PRO A 12 4.013 -9.228 -4.916 1.00 0.00 C ATOM 156 C PRO A 12 3.969 -10.622 -4.314 1.00 0.00 C ATOM 157 O PRO A 12 4.999 -11.285 -4.166 1.00 0.00 O ATOM 158 CB PRO A 12 3.430 -8.937 -6.292 1.00 0.00 C ATOM 159 CG PRO A 12 4.588 -8.977 -7.276 1.00 0.00 C ATOM 160 CD PRO A 12 5.859 -9.266 -6.498 1.00 0.00 C ATOM 0 HA PRO A 12 3.436 -8.708 -4.152 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.673 -9.676 -6.555 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.943 -7.962 -6.307 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.420 -9.746 -8.030 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.672 -8.027 -7.803 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.153 -10.315 -6.540 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.711 -8.682 -6.845 1.00 0.00 H new ATOM 168 N LYS A 13 2.819 -10.953 -3.724 1.00 0.00 N ATOM 169 CA LYS A 13 2.690 -12.142 -2.899 1.00 0.00 C ATOM 170 C LYS A 13 1.558 -13.032 -3.431 1.00 0.00 C ATOM 171 O LYS A 13 0.498 -12.477 -3.786 1.00 0.00 O ATOM 172 CB LYS A 13 2.397 -11.804 -1.438 1.00 0.00 C ATOM 173 CG LYS A 13 3.606 -11.272 -0.668 1.00 0.00 C ATOM 174 CD LYS A 13 3.524 -11.533 0.824 1.00 0.00 C ATOM 175 CE LYS A 13 4.588 -12.402 1.359 1.00 0.00 C ATOM 176 NZ LYS A 13 5.923 -11.816 1.177 1.00 0.00 N ATOM 0 H LYS A 13 1.962 -10.406 -3.807 1.00 0.00 H new ATOM 0 HA LYS A 13 3.645 -12.665 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.600 -11.062 -1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.024 -12.697 -0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.512 -11.733 -1.062 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.694 -10.199 -0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.557 -10.578 1.348 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.558 -11.986 1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.412 -12.579 2.420 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.547 -13.372 0.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.465 -12.391 0.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.830 -10.847 0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.420 -11.794 2.090 1.00 0.00 H new ATOM 190 N PRO A 14 1.506 -14.318 -3.049 1.00 0.00 N ATOM 191 CA PRO A 14 0.478 -15.244 -3.534 1.00 0.00 C ATOM 192 C PRO A 14 -0.633 -15.363 -2.510 1.00 0.00 C ATOM 193 O PRO A 14 -1.361 -16.361 -2.468 1.00 0.00 O ATOM 194 CB PRO A 14 1.413 -16.423 -3.815 1.00 0.00 C ATOM 195 CG PRO A 14 2.588 -16.257 -2.865 1.00 0.00 C ATOM 196 CD PRO A 14 2.477 -14.892 -2.203 1.00 0.00 C ATOM 0 HA PRO A 14 -0.135 -15.014 -4.405 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.906 -17.373 -3.647 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.746 -16.419 -4.853 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.582 -17.046 -2.113 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.530 -16.341 -3.407 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.149 -14.952 -1.165 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.419 -14.343 -2.209 1.00 0.00 H new ATOM 204 N ALA A 15 -0.858 -14.284 -1.765 1.00 0.00 N ATOM 205 CA ALA A 15 -2.049 -14.164 -0.932 1.00 0.00 C ATOM 206 C ALA A 15 -2.105 -12.784 -0.285 1.00 0.00 C ATOM 207 O ALA A 15 -1.080 -12.224 0.104 1.00 0.00 O ATOM 208 CB ALA A 15 -2.070 -15.266 0.122 1.00 0.00 C ATOM 0 H ALA A 15 -0.231 -13.481 -1.722 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.933 -14.279 -1.560 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.964 -15.164 0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.076 -16.239 -0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.185 -15.183 0.753 1.00 0.00 H new ATOM 214 N CYS A 16 -3.324 -12.382 0.076 1.00 0.00 N ATOM 215 CA CYS A 16 -3.532 -11.097 0.729 1.00 0.00 C ATOM 216 C CYS A 16 -4.532 -11.244 1.876 1.00 0.00 C ATOM 217 O CYS A 16 -5.682 -11.629 1.655 1.00 0.00 O ATOM 218 CB CYS A 16 -3.978 -10.027 -0.262 1.00 0.00 C ATOM 219 SG CYS A 16 -2.885 -9.814 -1.689 1.00 0.00 S ATOM 0 H CYS A 16 -4.174 -12.926 -0.073 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.578 -10.768 1.142 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.977 -10.277 -0.621 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.057 -9.075 0.263 1.00 0.00 H new ATOM 224 N THR A 17 -4.174 -10.664 3.020 1.00 0.00 N ATOM 225 CA THR A 17 -5.144 -10.399 4.076 1.00 0.00 C ATOM 226 C THR A 17 -6.213 -9.428 3.576 1.00 0.00 C ATOM 227 O THR A 17 -5.981 -8.678 2.624 1.00 0.00 O ATOM 228 CB THR A 17 -4.457 -9.843 5.388 1.00 0.00 C ATOM 229 OG1 THR A 17 -3.376 -8.964 4.946 1.00 0.00 O ATOM 230 CG2 THR A 17 -3.960 -10.933 6.339 1.00 0.00 C ATOM 0 H THR A 17 -3.222 -10.370 3.237 1.00 0.00 H new ATOM 0 HA THR A 17 -5.615 -11.347 4.337 1.00 0.00 H new ATOM 0 HB THR A 17 -5.193 -9.303 5.984 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.544 -9.477 4.878 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.502 -10.471 7.214 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.800 -11.552 6.654 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.223 -11.553 5.828 1.00 0.00 H new ATOM 238 N LEU A 18 -7.440 -9.640 4.042 1.00 0.00 N ATOM 239 CA LEU A 18 -8.610 -9.040 3.412 1.00 0.00 C ATOM 240 C LEU A 18 -9.394 -8.187 4.398 1.00 0.00 C ATOM 241 O LEU A 18 -10.516 -7.760 4.111 1.00 0.00 O ATOM 242 CB LEU A 18 -9.442 -10.181 2.792 1.00 0.00 C ATOM 243 CG LEU A 18 -9.482 -11.489 3.560 1.00 0.00 C ATOM 244 CD1 LEU A 18 -10.866 -12.107 3.428 1.00 0.00 C ATOM 245 CD2 LEU A 18 -8.422 -12.455 3.048 1.00 0.00 C ATOM 0 H LEU A 18 -7.649 -10.222 4.853 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.316 -8.351 2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.466 -9.827 2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.052 -10.384 1.795 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.270 -11.287 4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.899 -13.047 3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.610 -11.422 3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.082 -12.295 2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.472 -13.384 3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.599 -12.664 1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.435 -12.009 3.169 1.00 0.00 H new ATOM 257 N GLU A 19 -8.751 -7.827 5.506 1.00 0.00 N ATOM 258 CA GLU A 19 -9.220 -6.692 6.311 1.00 0.00 C ATOM 259 C GLU A 19 -8.817 -5.386 5.631 1.00 0.00 C ATOM 260 O GLU A 19 -7.909 -5.369 4.796 1.00 0.00 O ATOM 261 CB GLU A 19 -8.607 -6.832 7.702 1.00 0.00 C ATOM 262 CG GLU A 19 -7.429 -6.184 8.160 1.00 0.00 C ATOM 263 CD GLU A 19 -6.142 -6.542 7.479 1.00 0.00 C ATOM 264 OE1 GLU A 19 -6.072 -7.237 6.478 1.00 0.00 O ATOM 265 OE2 GLU A 19 -5.182 -5.858 7.903 1.00 0.00 O ATOM 0 H GLU A 19 -7.918 -8.292 5.866 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.306 -6.682 6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.393 -6.545 8.401 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.430 -7.899 7.841 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.575 -5.108 8.062 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.319 -6.395 9.224 1.00 0.00 H new ATOM 272 N TYR A 20 -9.661 -4.370 5.796 1.00 0.00 N ATOM 273 CA TYR A 20 -9.615 -3.194 4.936 1.00 0.00 C ATOM 274 C TYR A 20 -8.902 -2.043 5.646 1.00 0.00 C ATOM 275 O TYR A 20 -8.860 -1.998 6.879 1.00 0.00 O ATOM 276 CB TYR A 20 -11.023 -2.777 4.477 1.00 0.00 C ATOM 277 CG TYR A 20 -11.044 -1.724 3.391 1.00 0.00 C ATOM 278 CD1 TYR A 20 -10.657 -2.047 2.089 1.00 0.00 C ATOM 279 CD2 TYR A 20 -11.572 -0.450 3.621 1.00 0.00 C ATOM 280 CE1 TYR A 20 -10.636 -1.085 1.083 1.00 0.00 C ATOM 281 CE2 TYR A 20 -11.656 0.494 2.598 1.00 0.00 C ATOM 282 CZ TYR A 20 -11.117 0.191 1.347 1.00 0.00 C ATOM 283 OH TYR A 20 -11.082 1.110 0.335 1.00 0.00 O ATOM 0 H TYR A 20 -10.383 -4.339 6.516 1.00 0.00 H new ATOM 0 HA TYR A 20 -9.047 -3.451 4.042 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -11.551 -3.661 4.119 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -11.576 -2.403 5.339 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -10.369 -3.062 1.858 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -11.921 -0.192 4.610 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -10.249 -1.329 0.105 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -12.132 1.448 2.772 1.00 0.00 H new ATOM 0 HH TYR A 20 -11.449 1.961 0.653 1.00 0.00 H new ATOM 293 N ARG A 21 -8.083 -1.326 4.882 1.00 0.00 N ATOM 294 CA ARG A 21 -7.016 -0.503 5.445 1.00 0.00 C ATOM 295 C ARG A 21 -6.227 0.141 4.285 1.00 0.00 C ATOM 296 O ARG A 21 -5.226 -0.422 3.837 1.00 0.00 O ATOM 297 CB ARG A 21 -6.074 -1.316 6.335 1.00 0.00 C ATOM 298 CG ARG A 21 -6.349 -1.203 7.828 1.00 0.00 C ATOM 299 CD ARG A 21 -5.090 -1.251 8.625 1.00 0.00 C ATOM 300 NE ARG A 21 -5.084 -0.272 9.702 1.00 0.00 N ATOM 301 CZ ARG A 21 -4.821 1.023 9.511 1.00 0.00 C ATOM 302 NH1 ARG A 21 -4.353 1.474 8.351 1.00 0.00 N ATOM 303 NH2 ARG A 21 -4.984 1.876 10.523 1.00 0.00 N ATOM 0 H ARG A 21 -8.139 -1.298 3.864 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.465 0.265 6.074 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.140 -2.365 6.046 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.050 -0.996 6.143 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.874 -0.270 8.032 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.008 -2.014 8.139 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.965 -2.250 9.043 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.239 -1.071 7.968 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.291 -0.591 10.649 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.187 0.826 7.581 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.160 2.468 8.231 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.306 1.536 11.429 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.787 2.868 10.391 1.00 0.00 H new ATOM 317 N PRO A 22 -6.895 1.030 3.505 1.00 0.00 N ATOM 318 CA PRO A 22 -6.493 1.368 2.140 1.00 0.00 C ATOM 319 C PRO A 22 -5.161 2.103 2.161 1.00 0.00 C ATOM 320 O PRO A 22 -4.814 2.779 3.127 1.00 0.00 O ATOM 321 CB PRO A 22 -7.766 2.054 1.677 1.00 0.00 C ATOM 322 CG PRO A 22 -8.624 2.292 2.904 1.00 0.00 C ATOM 323 CD PRO A 22 -7.808 1.916 4.128 1.00 0.00 C ATOM 0 HA PRO A 22 -6.229 0.587 1.427 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -7.535 2.997 1.181 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.295 1.434 0.953 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -8.931 3.336 2.957 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -9.534 1.694 2.854 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.318 2.773 4.590 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -8.404 1.434 4.903 1.00 0.00 H new ATOM 331 N LEU A 23 -4.538 2.163 0.982 1.00 0.00 N ATOM 332 CA LEU A 23 -3.403 3.041 0.755 1.00 0.00 C ATOM 333 C LEU A 23 -3.469 3.658 -0.638 1.00 0.00 C ATOM 334 O LEU A 23 -3.753 2.971 -1.621 1.00 0.00 O ATOM 335 CB LEU A 23 -2.118 2.223 1.008 1.00 0.00 C ATOM 336 CG LEU A 23 -1.953 1.663 2.408 1.00 0.00 C ATOM 337 CD1 LEU A 23 -2.305 0.181 2.456 1.00 0.00 C ATOM 338 CD2 LEU A 23 -0.524 1.881 2.881 1.00 0.00 C ATOM 0 H LEU A 23 -4.807 1.608 0.170 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.412 3.887 1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.093 1.394 0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.258 2.856 0.787 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.639 2.189 3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.177 -0.191 3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.341 0.043 2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.649 -0.371 1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.408 1.478 3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.164 1.373 2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.303 2.948 2.890 1.00 0.00 H new ATOM 350 N CYS A 24 -3.526 4.990 -0.656 1.00 0.00 N ATOM 351 CA CYS A 24 -3.710 5.727 -1.897 1.00 0.00 C ATOM 352 C CYS A 24 -2.359 6.027 -2.540 1.00 0.00 C ATOM 353 O CYS A 24 -1.355 6.200 -1.849 1.00 0.00 O ATOM 354 CB CYS A 24 -4.515 7.004 -1.662 1.00 0.00 C ATOM 355 SG CYS A 24 -5.134 7.790 -3.168 1.00 0.00 S ATOM 0 H CYS A 24 -3.447 5.576 0.175 1.00 0.00 H new ATOM 0 HA CYS A 24 -4.282 5.107 -2.587 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.361 6.771 -1.015 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.891 7.718 -1.125 1.00 0.00 H new ATOM 360 N GLY A 25 -2.296 5.791 -3.850 1.00 0.00 N ATOM 361 CA GLY A 25 -1.053 5.941 -4.590 1.00 0.00 C ATOM 362 C GLY A 25 -0.999 7.300 -5.278 1.00 0.00 C ATOM 363 O GLY A 25 -1.853 8.157 -5.048 1.00 0.00 O ATOM 0 H GLY A 25 -3.092 5.496 -4.416 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.205 5.836 -3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.968 5.148 -5.333 1.00 0.00 H new ATOM 367 N SER A 26 0.107 7.541 -5.979 1.00 0.00 N ATOM 368 CA SER A 26 0.381 8.869 -6.518 1.00 0.00 C ATOM 369 C SER A 26 -0.637 9.233 -7.588 1.00 0.00 C ATOM 370 O SER A 26 -1.041 10.389 -7.721 1.00 0.00 O ATOM 371 CB SER A 26 1.806 8.981 -7.041 1.00 0.00 C ATOM 372 OG SER A 26 2.033 10.231 -7.667 1.00 0.00 O ATOM 0 H SER A 26 0.820 6.842 -6.185 1.00 0.00 H new ATOM 0 HA SER A 26 0.286 9.587 -5.703 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.508 8.853 -6.217 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.998 8.177 -7.751 1.00 0.00 H new ATOM 0 HG SER A 26 2.957 10.272 -7.990 1.00 0.00 H new ATOM 378 N ASP A 27 -0.927 8.268 -8.456 1.00 0.00 N ATOM 379 CA ASP A 27 -1.949 8.445 -9.475 1.00 0.00 C ATOM 380 C ASP A 27 -3.312 8.703 -8.843 1.00 0.00 C ATOM 381 O ASP A 27 -4.147 9.413 -9.415 1.00 0.00 O ATOM 382 CB ASP A 27 -1.940 7.294 -10.483 1.00 0.00 C ATOM 383 CG ASP A 27 -2.279 5.954 -9.843 1.00 0.00 C ATOM 384 OD1 ASP A 27 -1.420 5.374 -9.150 1.00 0.00 O ATOM 385 OD2 ASP A 27 -3.506 5.740 -9.675 1.00 0.00 O ATOM 0 H ASP A 27 -0.468 7.357 -8.472 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.714 9.338 -10.054 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.656 7.505 -11.277 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.957 7.232 -10.949 1.00 0.00 H new ATOM 390 N ASN A 28 -3.399 8.424 -7.543 1.00 0.00 N ATOM 391 CA ASN A 28 -4.524 8.835 -6.728 1.00 0.00 C ATOM 392 C ASN A 28 -5.740 7.936 -6.976 1.00 0.00 C ATOM 393 O ASN A 28 -6.834 8.231 -6.482 1.00 0.00 O ATOM 394 CB ASN A 28 -4.825 10.327 -6.837 1.00 0.00 C ATOM 395 CG ASN A 28 -3.580 11.193 -6.860 1.00 0.00 C ATOM 396 OD1 ASN A 28 -2.804 11.213 -5.892 1.00 0.00 O ATOM 397 ND2 ASN A 28 -3.340 11.852 -7.992 1.00 0.00 N ATOM 0 H ASN A 28 -2.686 7.905 -7.031 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.243 8.694 -5.684 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.401 10.508 -7.744 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.451 10.626 -5.996 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.488 12.404 -8.090 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.009 11.805 -8.761 1.00 0.00 H new ATOM 404 N LYS A 29 -5.453 6.700 -7.374 1.00 0.00 N ATOM 405 CA LYS A 29 -6.386 5.590 -7.189 1.00 0.00 C ATOM 406 C LYS A 29 -6.166 4.942 -5.829 1.00 0.00 C ATOM 407 O LYS A 29 -5.108 5.077 -5.218 1.00 0.00 O ATOM 408 CB LYS A 29 -6.230 4.540 -8.288 1.00 0.00 C ATOM 409 CG LYS A 29 -7.264 4.647 -9.409 1.00 0.00 C ATOM 410 CD LYS A 29 -7.409 6.047 -9.971 1.00 0.00 C ATOM 411 CE LYS A 29 -8.666 6.290 -10.703 1.00 0.00 C ATOM 412 NZ LYS A 29 -8.454 7.099 -11.910 1.00 0.00 N ATOM 0 H LYS A 29 -4.578 6.440 -7.829 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.397 5.994 -7.243 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.233 4.627 -8.719 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.298 3.549 -7.840 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.985 3.968 -10.215 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.231 4.314 -9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.338 6.762 -9.151 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.571 6.244 -10.640 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.114 5.336 -10.981 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.375 6.796 -10.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.363 7.246 -12.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.051 8.020 -11.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.798 6.605 -12.548 1.00 0.00 H new ATOM 426 N THR A 30 -7.159 4.167 -5.398 1.00 0.00 N ATOM 427 CA THR A 30 -7.099 3.504 -4.105 1.00 0.00 C ATOM 428 C THR A 30 -6.447 2.128 -4.245 1.00 0.00 C ATOM 429 O THR A 30 -6.737 1.394 -5.193 1.00 0.00 O ATOM 430 CB THR A 30 -8.537 3.369 -3.449 1.00 0.00 C ATOM 431 OG1 THR A 30 -9.393 4.356 -4.069 1.00 0.00 O ATOM 432 CG2 THR A 30 -8.530 3.420 -1.922 1.00 0.00 C ATOM 0 H THR A 30 -8.012 3.985 -5.927 1.00 0.00 H new ATOM 0 HA THR A 30 -6.491 4.121 -3.444 1.00 0.00 H new ATOM 0 HB THR A 30 -8.934 2.373 -3.644 1.00 0.00 H new ATOM 0 HG1 THR A 30 -10.293 4.297 -3.685 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.550 3.321 -1.550 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.921 2.604 -1.533 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.114 4.372 -1.592 1.00 0.00 H new ATOM 440 N TYR A 31 -5.851 1.672 -3.145 1.00 0.00 N ATOM 441 CA TYR A 31 -5.492 0.267 -2.990 1.00 0.00 C ATOM 442 C TYR A 31 -6.062 -0.276 -1.679 1.00 0.00 C ATOM 443 O TYR A 31 -6.364 0.503 -0.768 1.00 0.00 O ATOM 444 CB TYR A 31 -3.964 0.078 -3.045 1.00 0.00 C ATOM 445 CG TYR A 31 -3.361 0.305 -4.416 1.00 0.00 C ATOM 446 CD1 TYR A 31 -3.513 -0.655 -5.417 1.00 0.00 C ATOM 447 CD2 TYR A 31 -2.814 1.541 -4.770 1.00 0.00 C ATOM 448 CE1 TYR A 31 -3.112 -0.408 -6.726 1.00 0.00 C ATOM 449 CE2 TYR A 31 -2.378 1.794 -6.069 1.00 0.00 C ATOM 450 CZ TYR A 31 -2.509 0.803 -7.040 1.00 0.00 C ATOM 451 OH TYR A 31 -2.108 1.002 -8.331 1.00 0.00 O ATOM 0 H TYR A 31 -5.607 2.258 -2.347 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.924 -0.295 -3.818 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.498 0.764 -2.337 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.722 -0.933 -2.716 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.952 -1.611 -5.170 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.727 2.315 -4.022 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.268 -1.153 -7.492 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.942 2.750 -6.321 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.703 1.890 -8.414 1.00 0.00 H new ATOM 461 N GLY A 32 -6.515 -1.526 -1.732 1.00 0.00 N ATOM 462 CA GLY A 32 -7.382 -2.071 -0.692 1.00 0.00 C ATOM 463 C GLY A 32 -6.626 -2.191 0.623 1.00 0.00 C ATOM 464 O GLY A 32 -7.120 -1.797 1.679 1.00 0.00 O ATOM 0 H GLY A 32 -6.296 -2.180 -2.484 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.252 -1.427 -0.561 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.753 -3.050 -0.996 1.00 0.00 H new ATOM 468 N ASN A 33 -5.376 -2.646 0.532 1.00 0.00 N ATOM 469 CA ASN A 33 -4.451 -2.530 1.657 1.00 0.00 C ATOM 470 C ASN A 33 -3.018 -2.771 1.195 1.00 0.00 C ATOM 471 O ASN A 33 -2.657 -2.431 0.064 1.00 0.00 O ATOM 472 CB ASN A 33 -4.896 -3.369 2.845 1.00 0.00 C ATOM 473 CG ASN A 33 -4.538 -4.839 2.738 1.00 0.00 C ATOM 474 OD1 ASN A 33 -3.819 -5.378 3.593 1.00 0.00 O ATOM 475 ND2 ASN A 33 -5.004 -5.486 1.672 1.00 0.00 N ATOM 0 H ASN A 33 -4.985 -3.092 -0.298 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.469 -1.508 2.035 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.447 -2.962 3.751 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -5.976 -3.277 2.956 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.773 -6.469 1.531 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.592 -4.998 0.996 1.00 0.00 H new ATOM 482 N LYS A 34 -2.156 -3.096 2.155 1.00 0.00 N ATOM 483 CA LYS A 34 -0.716 -3.071 1.933 1.00 0.00 C ATOM 484 C LYS A 34 -0.325 -4.037 0.823 1.00 0.00 C ATOM 485 O LYS A 34 0.548 -3.741 0.006 1.00 0.00 O ATOM 486 CB LYS A 34 0.054 -3.437 3.206 1.00 0.00 C ATOM 487 CG LYS A 34 -0.656 -4.474 4.077 1.00 0.00 C ATOM 488 CD LYS A 34 0.120 -4.843 5.325 1.00 0.00 C ATOM 489 CE LYS A 34 1.521 -5.242 5.096 1.00 0.00 C ATOM 490 NZ LYS A 34 1.963 -6.278 6.038 1.00 0.00 N ATOM 0 H LYS A 34 -2.432 -3.380 3.095 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.455 -2.053 1.643 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.036 -3.820 2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.218 -2.533 3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.633 -4.087 4.367 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.832 -5.374 3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.108 -3.992 6.006 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.397 -5.661 5.827 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.630 -5.610 4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.166 -4.368 5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.953 -6.528 5.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.884 -5.919 7.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.365 -7.122 5.931 1.00 0.00 H new ATOM 504 N CYS A 35 -1.138 -5.079 0.662 1.00 0.00 N ATOM 505 CA CYS A 35 -0.890 -6.077 -0.367 1.00 0.00 C ATOM 506 C CYS A 35 -1.089 -5.469 -1.754 1.00 0.00 C ATOM 507 O CYS A 35 -0.323 -5.751 -2.678 1.00 0.00 O ATOM 508 CB CYS A 35 -1.765 -7.311 -0.168 1.00 0.00 C ATOM 509 SG CYS A 35 -1.244 -8.755 -1.128 1.00 0.00 S ATOM 0 H CYS A 35 -1.968 -5.251 1.229 1.00 0.00 H new ATOM 0 HA CYS A 35 0.147 -6.403 -0.284 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.767 -7.574 0.890 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.792 -7.062 -0.437 1.00 0.00 H new ATOM 514 N ASN A 36 -2.255 -4.856 -1.943 1.00 0.00 N ATOM 515 CA ASN A 36 -2.691 -4.447 -3.273 1.00 0.00 C ATOM 516 C ASN A 36 -2.081 -3.096 -3.641 1.00 0.00 C ATOM 517 O ASN A 36 -1.719 -2.868 -4.798 1.00 0.00 O ATOM 518 CB ASN A 36 -4.209 -4.507 -3.409 1.00 0.00 C ATOM 519 CG ASN A 36 -4.738 -5.912 -3.632 1.00 0.00 C ATOM 520 OD1 ASN A 36 -4.946 -6.337 -4.777 1.00 0.00 O ATOM 521 ND2 ASN A 36 -4.932 -6.649 -2.538 1.00 0.00 N ATOM 0 H ASN A 36 -2.911 -4.633 -1.195 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.316 -5.160 -4.008 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.664 -4.094 -2.509 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.517 -3.874 -4.241 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.266 -7.609 -2.622 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.746 -6.253 -1.617 1.00 0.00 H new ATOM 528 N PHE A 37 -1.708 -2.344 -2.612 1.00 0.00 N ATOM 529 CA PHE A 37 -0.795 -1.207 -2.783 1.00 0.00 C ATOM 530 C PHE A 37 0.551 -1.704 -3.288 1.00 0.00 C ATOM 531 O PHE A 37 1.061 -1.225 -4.305 1.00 0.00 O ATOM 532 CB PHE A 37 -0.650 -0.360 -1.508 1.00 0.00 C ATOM 533 CG PHE A 37 0.396 0.714 -1.560 1.00 0.00 C ATOM 534 CD1 PHE A 37 0.232 1.726 -2.509 1.00 0.00 C ATOM 535 CD2 PHE A 37 1.531 0.717 -0.747 1.00 0.00 C ATOM 536 CE1 PHE A 37 1.208 2.693 -2.699 1.00 0.00 C ATOM 537 CE2 PHE A 37 2.523 1.690 -0.913 1.00 0.00 C ATOM 538 CZ PHE A 37 2.374 2.648 -1.931 1.00 0.00 C ATOM 0 H PHE A 37 -2.019 -2.495 -1.652 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.229 -0.539 -3.528 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.612 0.104 -1.290 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.421 -1.025 -0.675 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.669 1.756 -3.104 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.644 -0.038 0.017 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.068 3.473 -3.433 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.390 1.705 -0.269 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.168 3.355 -2.121 1.00 0.00 H new ATOM 548 N CYS A 38 1.201 -2.551 -2.491 1.00 0.00 N ATOM 549 CA CYS A 38 2.626 -2.815 -2.666 1.00 0.00 C ATOM 550 C CYS A 38 2.860 -3.774 -3.826 1.00 0.00 C ATOM 551 O CYS A 38 3.882 -3.691 -4.513 1.00 0.00 O ATOM 552 CB CYS A 38 3.258 -3.322 -1.374 1.00 0.00 C ATOM 553 SG CYS A 38 3.632 -2.018 -0.170 1.00 0.00 S ATOM 0 H CYS A 38 0.766 -3.062 -1.723 1.00 0.00 H new ATOM 0 HA CYS A 38 3.118 -1.874 -2.914 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.585 -4.045 -0.913 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.179 -3.852 -1.617 1.00 0.00 H new ATOM 558 N ASN A 39 1.816 -4.518 -4.180 1.00 0.00 N ATOM 559 CA ASN A 39 1.786 -5.240 -5.447 1.00 0.00 C ATOM 560 C ASN A 39 1.868 -4.260 -6.614 1.00 0.00 C ATOM 561 O ASN A 39 2.553 -4.509 -7.605 1.00 0.00 O ATOM 562 CB ASN A 39 0.602 -6.199 -5.520 1.00 0.00 C ATOM 563 CG ASN A 39 0.918 -7.588 -5.000 1.00 0.00 C ATOM 564 OD1 ASN A 39 1.450 -7.657 -3.780 1.00 0.00 O flip ATOM 565 ND2 ASN A 39 0.665 -8.593 -5.682 1.00 0.00 N flip ATOM 0 H ASN A 39 0.980 -4.636 -3.607 1.00 0.00 H new ATOM 0 HA ASN A 39 2.667 -5.878 -5.517 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.227 -5.785 -4.947 1.00 0.00 H new ATOM 0 HB3 ASN A 39 0.268 -6.274 -6.555 1.00 0.00 H new ATOM 0 HD21 ASN A 39 0.258 -8.489 -6.611 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.864 -9.523 -5.313 1.00 0.00 H new ATOM 572 N ALA A 40 1.030 -3.230 -6.552 1.00 0.00 N ATOM 573 CA ALA A 40 0.838 -2.335 -7.685 1.00 0.00 C ATOM 574 C ALA A 40 1.969 -1.317 -7.764 1.00 0.00 C ATOM 575 O ALA A 40 2.242 -0.746 -8.818 1.00 0.00 O ATOM 576 CB ALA A 40 -0.519 -1.646 -7.589 1.00 0.00 C ATOM 0 H ALA A 40 0.474 -2.996 -5.730 1.00 0.00 H new ATOM 0 HA ALA A 40 0.856 -2.923 -8.603 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.650 -0.980 -8.442 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.309 -2.397 -7.590 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.569 -1.068 -6.666 1.00 0.00 H new ATOM 582 N VAL A 41 2.743 -1.253 -6.682 1.00 0.00 N ATOM 583 CA VAL A 41 3.986 -0.495 -6.676 1.00 0.00 C ATOM 584 C VAL A 41 5.108 -1.310 -7.310 1.00 0.00 C ATOM 585 O VAL A 41 5.862 -0.812 -8.147 1.00 0.00 O ATOM 586 CB VAL A 41 4.309 -0.009 -5.247 1.00 0.00 C ATOM 587 CG1 VAL A 41 5.654 0.701 -5.157 1.00 0.00 C ATOM 588 CG2 VAL A 41 3.197 0.865 -4.689 1.00 0.00 C ATOM 0 H VAL A 41 2.529 -1.718 -5.800 1.00 0.00 H new ATOM 0 HA VAL A 41 3.876 0.400 -7.288 1.00 0.00 H new ATOM 0 HB VAL A 41 4.380 -0.905 -4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.829 1.021 -4.130 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.447 0.019 -5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.650 1.572 -5.812 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.459 1.188 -3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.065 1.738 -5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.268 0.296 -4.657 1.00 0.00 H new ATOM 598 N VAL A 42 5.328 -2.497 -6.753 1.00 0.00 N ATOM 599 CA VAL A 42 6.388 -3.373 -7.227 1.00 0.00 C ATOM 600 C VAL A 42 6.161 -3.776 -8.678 1.00 0.00 C ATOM 601 O VAL A 42 7.111 -4.054 -9.412 1.00 0.00 O ATOM 602 CB VAL A 42 6.557 -4.575 -6.272 1.00 0.00 C ATOM 603 CG1 VAL A 42 5.300 -5.432 -6.184 1.00 0.00 C ATOM 604 CG2 VAL A 42 7.765 -5.418 -6.640 1.00 0.00 C ATOM 0 H VAL A 42 4.786 -2.872 -5.974 1.00 0.00 H new ATOM 0 HA VAL A 42 7.334 -2.831 -7.216 1.00 0.00 H new ATOM 0 HB VAL A 42 6.728 -4.156 -5.280 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.473 -6.263 -5.500 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.472 -4.826 -5.817 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.055 -5.821 -7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.851 -6.254 -5.946 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.647 -5.800 -7.654 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.666 -4.807 -6.585 1.00 0.00 H new ATOM 614 N GLU A 43 4.918 -3.633 -9.132 1.00 0.00 N ATOM 615 CA GLU A 43 4.615 -3.709 -10.556 1.00 0.00 C ATOM 616 C GLU A 43 4.909 -2.378 -11.234 1.00 0.00 C ATOM 617 O GLU A 43 5.381 -2.326 -12.368 1.00 0.00 O ATOM 618 CB GLU A 43 3.148 -4.117 -10.706 1.00 0.00 C ATOM 619 CG GLU A 43 2.058 -3.229 -10.894 1.00 0.00 C ATOM 620 CD GLU A 43 1.642 -2.951 -12.310 1.00 0.00 C ATOM 621 OE1 GLU A 43 1.989 -3.620 -13.267 1.00 0.00 O ATOM 622 OE2 GLU A 43 0.806 -2.025 -12.381 1.00 0.00 O ATOM 0 H GLU A 43 4.108 -3.464 -8.536 1.00 0.00 H new ATOM 0 HA GLU A 43 5.244 -4.453 -11.045 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.117 -4.806 -11.550 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.909 -4.695 -9.813 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.197 -3.632 -10.361 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.309 -2.279 -10.422 1.00 0.00 H new ATOM 629 N SER A 44 4.751 -1.300 -10.466 1.00 0.00 N ATOM 630 CA SER A 44 4.914 0.042 -11.006 1.00 0.00 C ATOM 631 C SER A 44 6.344 0.241 -11.516 1.00 0.00 C ATOM 632 O SER A 44 6.606 1.174 -12.279 1.00 0.00 O ATOM 633 CB SER A 44 4.555 1.106 -9.975 1.00 0.00 C ATOM 634 OG SER A 44 3.773 2.139 -10.543 1.00 0.00 O ATOM 0 H SER A 44 4.512 -1.333 -9.475 1.00 0.00 H new ATOM 0 HA SER A 44 4.226 0.152 -11.844 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.008 0.646 -9.152 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.468 1.529 -9.555 1.00 0.00 H new ATOM 0 HG SER A 44 4.294 2.603 -11.231 1.00 0.00 H new ATOM 640 N ASN A 45 7.282 -0.391 -10.812 1.00 0.00 N ATOM 641 CA ASN A 45 8.690 -0.033 -10.911 1.00 0.00 C ATOM 642 C ASN A 45 8.921 1.369 -10.355 1.00 0.00 C ATOM 643 O ASN A 45 9.607 2.188 -10.964 1.00 0.00 O ATOM 644 CB ASN A 45 9.233 -0.245 -12.321 1.00 0.00 C ATOM 645 CG ASN A 45 8.626 -1.442 -13.029 1.00 0.00 C ATOM 646 OD1 ASN A 45 7.497 -1.370 -13.538 1.00 0.00 O ATOM 647 ND2 ASN A 45 9.422 -2.500 -13.186 1.00 0.00 N ATOM 0 H ASN A 45 7.088 -1.156 -10.166 1.00 0.00 H new ATOM 0 HA ASN A 45 9.273 -0.710 -10.287 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.045 0.651 -12.913 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.314 -0.373 -12.270 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.110 -3.295 -13.744 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.343 -2.515 -12.748 1.00 0.00 H new ATOM 654 N GLY A 46 8.476 1.572 -9.117 1.00 0.00 N ATOM 655 CA GLY A 46 8.834 2.772 -8.370 1.00 0.00 C ATOM 656 C GLY A 46 8.320 4.017 -9.081 1.00 0.00 C ATOM 657 O GLY A 46 8.934 5.083 -9.020 1.00 0.00 O ATOM 0 H GLY A 46 7.870 0.924 -8.613 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.414 2.721 -7.365 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.917 2.830 -8.261 1.00 0.00 H new ATOM 661 N THR A 47 7.060 3.938 -9.515 1.00 0.00 N ATOM 662 CA THR A 47 6.436 5.052 -10.215 1.00 0.00 C ATOM 663 C THR A 47 5.090 5.394 -9.591 1.00 0.00 C ATOM 664 O THR A 47 4.668 6.549 -9.574 1.00 0.00 O ATOM 665 CB THR A 47 6.279 4.752 -11.765 1.00 0.00 C ATOM 666 OG1 THR A 47 5.161 3.849 -11.925 1.00 0.00 O ATOM 667 CG2 THR A 47 7.566 4.271 -12.437 1.00 0.00 C ATOM 0 H THR A 47 6.461 3.121 -9.394 1.00 0.00 H new ATOM 0 HA THR A 47 7.093 5.916 -10.113 1.00 0.00 H new ATOM 0 HB THR A 47 6.072 5.682 -12.294 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.038 3.645 -12.876 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.377 4.087 -13.495 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.338 5.034 -12.333 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.901 3.349 -11.963 1.00 0.00 H new ATOM 675 N LEU A 48 4.536 4.413 -8.879 1.00 0.00 N ATOM 676 CA LEU A 48 3.227 4.586 -8.253 1.00 0.00 C ATOM 677 C LEU A 48 3.374 5.305 -6.919 1.00 0.00 C ATOM 678 O LEU A 48 2.918 6.430 -6.735 1.00 0.00 O ATOM 679 CB LEU A 48 2.583 3.194 -8.152 1.00 0.00 C ATOM 680 CG LEU A 48 1.444 3.026 -7.161 1.00 0.00 C ATOM 681 CD1 LEU A 48 0.335 4.033 -7.429 1.00 0.00 C ATOM 682 CD2 LEU A 48 0.906 1.604 -7.277 1.00 0.00 C ATOM 0 H LEU A 48 4.967 3.502 -8.723 1.00 0.00 H new ATOM 0 HA LEU A 48 2.567 5.221 -8.844 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.214 2.920 -9.140 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.364 2.479 -7.894 1.00 0.00 H new ATOM 0 HG LEU A 48 1.814 3.205 -6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.468 3.891 -6.706 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.732 5.044 -7.337 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.054 3.886 -8.437 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.087 1.466 -6.571 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.544 1.433 -8.291 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.702 0.894 -7.052 1.00 0.00 H new ATOM 694 N THR A 49 3.949 4.601 -5.950 1.00 0.00 N ATOM 695 CA THR A 49 4.407 5.219 -4.716 1.00 0.00 C ATOM 696 C THR A 49 3.257 5.844 -3.943 1.00 0.00 C ATOM 697 O THR A 49 2.097 5.769 -4.360 1.00 0.00 O ATOM 698 CB THR A 49 5.634 6.176 -4.929 1.00 0.00 C ATOM 699 OG1 THR A 49 5.204 7.555 -4.936 1.00 0.00 O ATOM 700 CG2 THR A 49 6.492 5.818 -6.156 1.00 0.00 C ATOM 0 H THR A 49 4.109 3.595 -5.999 1.00 0.00 H new ATOM 0 HA THR A 49 4.795 4.423 -4.080 1.00 0.00 H new ATOM 0 HB THR A 49 6.300 6.032 -4.078 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.419 7.650 -5.515 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.320 6.522 -6.239 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.885 4.807 -6.043 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.880 5.871 -7.056 1.00 0.00 H new ATOM 708 N LEU A 50 3.546 6.261 -2.710 1.00 0.00 N ATOM 709 CA LEU A 50 2.490 6.441 -1.702 1.00 0.00 C ATOM 710 C LEU A 50 2.274 7.922 -1.435 1.00 0.00 C ATOM 711 O LEU A 50 3.208 8.662 -1.133 1.00 0.00 O ATOM 712 CB LEU A 50 2.914 5.631 -0.468 1.00 0.00 C ATOM 713 CG LEU A 50 1.885 5.385 0.612 1.00 0.00 C ATOM 714 CD1 LEU A 50 0.607 4.783 0.042 1.00 0.00 C ATOM 715 CD2 LEU A 50 2.481 4.431 1.648 1.00 0.00 C ATOM 0 H LEU A 50 4.488 6.479 -2.384 1.00 0.00 H new ATOM 0 HA LEU A 50 1.520 6.072 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.273 4.661 -0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.762 6.140 -0.010 1.00 0.00 H new ATOM 0 HG LEU A 50 1.627 6.340 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.109 4.620 0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.179 5.466 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.836 3.832 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.749 4.244 2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.745 3.489 1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.375 4.879 2.083 1.00 0.00 H new ATOM 727 N SER A 51 1.048 8.376 -1.699 1.00 0.00 N ATOM 728 CA SER A 51 0.678 9.756 -1.409 1.00 0.00 C ATOM 729 C SER A 51 0.220 9.886 0.040 1.00 0.00 C ATOM 730 O SER A 51 0.650 10.789 0.760 1.00 0.00 O ATOM 731 CB SER A 51 -0.386 10.262 -2.372 1.00 0.00 C ATOM 732 OG SER A 51 -0.467 11.676 -2.361 1.00 0.00 O ATOM 0 H SER A 51 0.303 7.812 -2.109 1.00 0.00 H new ATOM 0 HA SER A 51 1.560 10.381 -1.549 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.158 9.918 -3.381 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.354 9.839 -2.102 1.00 0.00 H new ATOM 0 HG SER A 51 -1.158 11.969 -2.991 1.00 0.00 H new ATOM 738 N HIS A 52 -0.399 8.813 0.530 1.00 0.00 N ATOM 739 CA HIS A 52 -0.792 8.734 1.929 1.00 0.00 C ATOM 740 C HIS A 52 -1.438 7.381 2.224 1.00 0.00 C ATOM 741 O HIS A 52 -2.172 6.842 1.395 1.00 0.00 O ATOM 742 CB HIS A 52 -1.769 9.857 2.365 1.00 0.00 C ATOM 743 CG HIS A 52 -3.031 9.865 1.554 1.00 0.00 C ATOM 744 ND1 HIS A 52 -4.268 9.548 2.054 1.00 0.00 N ATOM 745 CD2 HIS A 52 -3.191 9.994 0.213 1.00 0.00 C ATOM 746 CE1 HIS A 52 -5.141 9.504 1.060 1.00 0.00 C ATOM 747 NE2 HIS A 52 -4.515 9.775 -0.063 1.00 0.00 N ATOM 0 H HIS A 52 -0.637 7.990 -0.023 1.00 0.00 H new ATOM 0 HA HIS A 52 0.127 8.860 2.501 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.018 9.729 3.418 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.273 10.823 2.270 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -4.481 9.374 3.036 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -2.418 10.226 -0.504 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -6.194 9.282 1.156 1.00 0.00 H new ATOM 756 N PHE A 53 -1.382 6.994 3.495 1.00 0.00 N ATOM 757 CA PHE A 53 -2.157 5.861 3.984 1.00 0.00 C ATOM 758 C PHE A 53 -3.647 6.120 3.811 1.00 0.00 C ATOM 759 O PHE A 53 -4.063 7.149 3.283 1.00 0.00 O ATOM 760 CB PHE A 53 -1.875 5.515 5.469 1.00 0.00 C ATOM 761 CG PHE A 53 -0.481 4.992 5.681 1.00 0.00 C ATOM 762 CD1 PHE A 53 0.664 5.720 5.357 1.00 0.00 C ATOM 763 CD2 PHE A 53 -0.354 3.776 6.358 1.00 0.00 C ATOM 764 CE1 PHE A 53 1.933 5.241 5.703 1.00 0.00 C ATOM 765 CE2 PHE A 53 0.897 3.253 6.651 1.00 0.00 C ATOM 766 CZ PHE A 53 2.040 3.993 6.340 1.00 0.00 C ATOM 0 H PHE A 53 -0.807 7.449 4.204 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.844 5.006 3.384 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.023 6.405 6.081 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.595 4.771 5.809 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.571 6.661 4.835 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.241 3.237 6.657 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.817 5.822 5.484 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.986 2.282 7.116 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.015 3.602 6.591 1.00 0.00 H new ATOM 776 N GLY A 54 -4.447 5.124 4.185 1.00 0.00 N ATOM 777 CA GLY A 54 -5.893 5.225 4.078 1.00 0.00 C ATOM 778 C GLY A 54 -6.338 5.073 2.628 1.00 0.00 C ATOM 779 O GLY A 54 -5.518 4.898 1.727 1.00 0.00 O ATOM 0 H GLY A 54 -4.114 4.238 4.565 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.363 4.455 4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.225 6.188 4.466 1.00 0.00 H new ATOM 783 N LYS A 55 -7.627 5.316 2.400 1.00 0.00 N ATOM 784 CA LYS A 55 -8.146 5.443 1.042 1.00 0.00 C ATOM 785 C LYS A 55 -8.194 6.912 0.632 1.00 0.00 C ATOM 786 O LYS A 55 -7.874 7.799 1.423 1.00 0.00 O ATOM 787 CB LYS A 55 -9.546 4.842 0.912 1.00 0.00 C ATOM 788 CG LYS A 55 -10.554 5.391 1.923 1.00 0.00 C ATOM 789 CD LYS A 55 -11.936 4.782 1.777 1.00 0.00 C ATOM 790 CE LYS A 55 -13.040 5.760 1.751 1.00 0.00 C ATOM 791 NZ LYS A 55 -13.325 6.307 3.083 1.00 0.00 N ATOM 0 H LYS A 55 -8.327 5.428 3.134 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.472 4.893 0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.918 5.029 -0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.479 3.761 1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.186 5.204 2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.626 6.472 1.805 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.965 4.197 0.858 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.102 4.089 2.602 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.787 6.574 1.072 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.937 5.283 1.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.107 6.990 3.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.592 5.534 3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.478 6.785 3.450 1.00 0.00 H new ATOM 805 N CYS A 56 -8.383 7.137 -0.665 1.00 0.00 N ATOM 806 CA CYS A 56 -8.146 8.449 -1.255 1.00 0.00 C ATOM 807 C CYS A 56 -9.146 9.463 -0.707 1.00 0.00 C ATOM 808 O CYS A 56 -10.351 9.171 -0.662 1.00 0.00 O ATOM 809 CB CYS A 56 -8.193 8.385 -2.780 1.00 0.00 C ATOM 810 SG CYS A 56 -7.043 7.198 -3.514 1.00 0.00 S ATOM 811 OXT CYS A 56 -8.733 10.482 -0.135 1.00 0.00 O ATOM 0 H CYS A 56 -8.699 6.428 -1.326 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.144 8.776 -0.978 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.206 8.130 -3.090 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.978 9.376 -3.180 1.00 0.00 H new TER 816 CYS A 56