USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 668 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 Single : A 1 MET CE :methyl 143:sc= -0.276 (180deg=-1.72!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 140:sc= 0.899 (180deg=-0.349) USER MOD Single : A 10 CYS SG : rot -106:sc= 0.0143 USER MOD Single : A 12 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00088) USER MOD Single : A 17 HIS :FLIP no HD1:sc= -0.124 F(o=-0.68,f=-0.12) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.145 USER MOD Single : A 29 CYS SG : rot 133:sc= -0.643 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.919 USER MOD Single : A 41 GLN :FLIP amide:sc= -0.143 F(o=-0.95,f=-0.14) USER MOD Single : A 44 MET CE :methyl -116:sc= -0.214 (180deg=-2.33!) USER MOD Single : A 47 SER OG : rot -153:sc= -2.06! USER MOD Single : A 50 CYS SG : rot 80:sc= -6.88! USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -171:sc= -2.5! USER MOD Single : A 59 THR OG1 : rot -120:sc= -2.35 USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.1 K(o=-1.1,f=-7.1!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 82 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.33) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 89.774 -13.284 -5.896 1.00 0.00 N ATOM 2 CA MET A 1 90.351 -12.207 -6.750 1.00 0.00 C ATOM 3 C MET A 1 90.716 -10.991 -5.895 1.00 0.00 C ATOM 4 O MET A 1 89.875 -10.400 -5.248 1.00 0.00 O ATOM 5 CB MET A 1 89.242 -11.849 -7.739 1.00 0.00 C ATOM 6 CG MET A 1 89.511 -12.535 -9.079 1.00 0.00 C ATOM 7 SD MET A 1 89.029 -11.429 -10.430 1.00 0.00 S ATOM 8 CE MET A 1 90.251 -10.132 -10.111 1.00 0.00 C ATOM 0 H1 MET A 1 89.530 -14.104 -6.488 1.00 0.00 H new ATOM 0 H2 MET A 1 90.471 -13.570 -5.179 1.00 0.00 H new ATOM 0 H3 MET A 1 88.917 -12.931 -5.424 1.00 0.00 H new ATOM 0 HA MET A 1 91.263 -12.526 -7.255 1.00 0.00 H new ATOM 0 HB2 MET A 1 88.275 -12.162 -7.346 1.00 0.00 H new ATOM 0 HB3 MET A 1 89.196 -10.768 -7.875 1.00 0.00 H new ATOM 0 HG2 MET A 1 90.567 -12.791 -9.163 1.00 0.00 H new ATOM 0 HG3 MET A 1 88.951 -13.468 -9.141 1.00 0.00 H new ATOM 0 HE1 MET A 1 90.606 -9.726 -11.058 1.00 0.00 H new ATOM 0 HE2 MET A 1 89.792 -9.336 -9.524 1.00 0.00 H new ATOM 0 HE3 MET A 1 91.092 -10.552 -9.559 1.00 0.00 H new ATOM 18 N CYS A 2 91.964 -10.611 -5.888 1.00 0.00 N ATOM 19 CA CYS A 2 92.378 -9.432 -5.076 1.00 0.00 C ATOM 20 C CYS A 2 91.586 -8.192 -5.501 1.00 0.00 C ATOM 21 O CYS A 2 92.020 -7.425 -6.337 1.00 0.00 O ATOM 22 CB CYS A 2 93.866 -9.249 -5.373 1.00 0.00 C ATOM 23 SG CYS A 2 94.589 -8.122 -4.156 1.00 0.00 S ATOM 0 H CYS A 2 92.714 -11.065 -6.409 1.00 0.00 H new ATOM 0 HA CYS A 2 92.191 -9.577 -4.012 1.00 0.00 H new ATOM 0 HB2 CYS A 2 94.375 -10.212 -5.341 1.00 0.00 H new ATOM 0 HB3 CYS A 2 94.001 -8.851 -6.379 1.00 0.00 H new ATOM 0 HG CYS A 2 95.855 -7.967 -4.406 1.00 0.00 H new ATOM 29 N ALA A 3 90.429 -7.989 -4.931 1.00 0.00 N ATOM 30 CA ALA A 3 89.612 -6.798 -5.303 1.00 0.00 C ATOM 31 C ALA A 3 88.520 -6.560 -4.255 1.00 0.00 C ATOM 32 O ALA A 3 87.383 -6.951 -4.428 1.00 0.00 O ATOM 33 CB ALA A 3 88.992 -7.148 -6.656 1.00 0.00 C ATOM 0 H ALA A 3 90.014 -8.596 -4.224 1.00 0.00 H new ATOM 0 HA ALA A 3 90.208 -5.887 -5.354 1.00 0.00 H new ATOM 0 HB1 ALA A 3 88.374 -6.318 -6.998 1.00 0.00 H new ATOM 0 HB2 ALA A 3 89.784 -7.334 -7.382 1.00 0.00 H new ATOM 0 HB3 ALA A 3 88.376 -8.041 -6.554 1.00 0.00 H new ATOM 39 N VAL A 4 88.858 -5.921 -3.167 1.00 0.00 N ATOM 40 CA VAL A 4 87.842 -5.662 -2.108 1.00 0.00 C ATOM 41 C VAL A 4 86.841 -4.600 -2.575 1.00 0.00 C ATOM 42 O VAL A 4 86.688 -3.564 -1.961 1.00 0.00 O ATOM 43 CB VAL A 4 88.643 -5.153 -0.910 1.00 0.00 C ATOM 44 CG1 VAL A 4 89.678 -6.203 -0.503 1.00 0.00 C ATOM 45 CG2 VAL A 4 89.358 -3.855 -1.291 1.00 0.00 C ATOM 0 H VAL A 4 89.794 -5.568 -2.967 1.00 0.00 H new ATOM 0 HA VAL A 4 87.264 -6.554 -1.866 1.00 0.00 H new ATOM 0 HB VAL A 4 87.968 -4.967 -0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 4 90.249 -5.839 0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 4 89.170 -7.129 -0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 4 90.354 -6.390 -1.337 1.00 0.00 H new ATOM 0 HG21 VAL A 4 89.930 -3.491 -0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 4 90.033 -4.043 -2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 4 88.622 -3.106 -1.581 1.00 0.00 H new ATOM 55 N LEU A 5 86.157 -4.854 -3.657 1.00 0.00 N ATOM 56 CA LEU A 5 85.163 -3.864 -4.162 1.00 0.00 C ATOM 57 C LEU A 5 85.843 -2.521 -4.447 1.00 0.00 C ATOM 58 O LEU A 5 86.184 -1.784 -3.544 1.00 0.00 O ATOM 59 CB LEU A 5 84.138 -3.717 -3.035 1.00 0.00 C ATOM 60 CG LEU A 5 82.733 -3.958 -3.586 1.00 0.00 C ATOM 61 CD1 LEU A 5 81.853 -4.567 -2.493 1.00 0.00 C ATOM 62 CD2 LEU A 5 82.130 -2.627 -4.041 1.00 0.00 C ATOM 0 H LEU A 5 86.243 -5.704 -4.213 1.00 0.00 H new ATOM 0 HA LEU A 5 84.701 -4.188 -5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 5 84.354 -4.428 -2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 5 84.203 -2.720 -2.599 1.00 0.00 H new ATOM 0 HG LEU A 5 82.787 -4.643 -4.432 1.00 0.00 H new ATOM 0 HD11 LEU A 5 80.851 -4.739 -2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 5 82.282 -5.514 -2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 5 81.798 -3.882 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 5 81.128 -2.797 -4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 5 82.076 -1.943 -3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 5 82.756 -2.191 -4.820 1.00 0.00 H new ATOM 74 N ARG A 6 86.036 -2.198 -5.696 1.00 0.00 N ATOM 75 CA ARG A 6 86.685 -0.901 -6.040 1.00 0.00 C ATOM 76 C ARG A 6 85.617 0.137 -6.398 1.00 0.00 C ATOM 77 O ARG A 6 85.737 0.859 -7.367 1.00 0.00 O ATOM 78 CB ARG A 6 87.569 -1.202 -7.250 1.00 0.00 C ATOM 79 CG ARG A 6 88.417 -2.445 -6.969 1.00 0.00 C ATOM 80 CD ARG A 6 89.894 -2.052 -6.917 1.00 0.00 C ATOM 81 NE ARG A 6 90.546 -2.869 -7.978 1.00 0.00 N ATOM 82 CZ ARG A 6 90.693 -2.382 -9.180 1.00 0.00 C ATOM 83 NH1 ARG A 6 89.701 -1.764 -9.759 1.00 0.00 N ATOM 84 NH2 ARG A 6 91.834 -2.514 -9.801 1.00 0.00 N ATOM 0 H ARG A 6 85.772 -2.776 -6.494 1.00 0.00 H new ATOM 0 HA ARG A 6 87.264 -0.494 -5.211 1.00 0.00 H new ATOM 0 HB2 ARG A 6 86.951 -1.363 -8.134 1.00 0.00 H new ATOM 0 HB3 ARG A 6 88.214 -0.350 -7.463 1.00 0.00 H new ATOM 0 HG2 ARG A 6 88.116 -2.898 -6.024 1.00 0.00 H new ATOM 0 HG3 ARG A 6 88.255 -3.192 -7.746 1.00 0.00 H new ATOM 0 HD2 ARG A 6 90.026 -0.986 -7.102 1.00 0.00 H new ATOM 0 HD3 ARG A 6 90.324 -2.261 -5.937 1.00 0.00 H new ATOM 0 HE ARG A 6 90.878 -3.810 -7.765 1.00 0.00 H new ATOM 0 HH11 ARG A 6 88.810 -1.661 -9.272 1.00 0.00 H new ATOM 0 HH12 ARG A 6 89.816 -1.383 -10.698 1.00 0.00 H new ATOM 0 HH21 ARG A 6 92.609 -2.997 -9.347 1.00 0.00 H new ATOM 0 HH22 ARG A 6 91.950 -2.134 -10.740 1.00 0.00 H new ATOM 98 N GLN A 7 84.571 0.208 -5.622 1.00 0.00 N ATOM 99 CA GLN A 7 83.488 1.191 -5.912 1.00 0.00 C ATOM 100 C GLN A 7 82.388 1.083 -4.850 1.00 0.00 C ATOM 101 O GLN A 7 81.698 0.087 -4.770 1.00 0.00 O ATOM 102 CB GLN A 7 82.957 0.790 -7.296 1.00 0.00 C ATOM 103 CG GLN A 7 81.509 1.268 -7.466 1.00 0.00 C ATOM 104 CD GLN A 7 81.208 1.477 -8.951 1.00 0.00 C ATOM 105 OE1 GLN A 7 81.392 0.582 -9.752 1.00 0.00 O ATOM 106 NE2 GLN A 7 80.749 2.630 -9.353 1.00 0.00 N ATOM 0 H GLN A 7 84.419 -0.373 -4.798 1.00 0.00 H new ATOM 0 HA GLN A 7 83.839 2.223 -5.898 1.00 0.00 H new ATOM 0 HB2 GLN A 7 83.585 1.224 -8.074 1.00 0.00 H new ATOM 0 HB3 GLN A 7 83.007 -0.293 -7.413 1.00 0.00 H new ATOM 0 HG2 GLN A 7 80.822 0.534 -7.045 1.00 0.00 H new ATOM 0 HG3 GLN A 7 81.356 2.198 -6.919 1.00 0.00 H new ATOM 0 HE21 GLN A 7 80.595 3.380 -8.680 1.00 0.00 H new ATOM 0 HE22 GLN A 7 80.544 2.781 -10.341 1.00 0.00 H new ATOM 115 N PRO A 8 82.259 2.121 -4.069 1.00 0.00 N ATOM 116 CA PRO A 8 81.228 2.145 -3.004 1.00 0.00 C ATOM 117 C PRO A 8 79.836 2.308 -3.620 1.00 0.00 C ATOM 118 O PRO A 8 79.571 3.248 -4.340 1.00 0.00 O ATOM 119 CB PRO A 8 81.603 3.365 -2.169 1.00 0.00 C ATOM 120 CG PRO A 8 82.365 4.252 -3.101 1.00 0.00 C ATOM 121 CD PRO A 8 83.049 3.356 -4.102 1.00 0.00 C ATOM 0 HA PRO A 8 81.195 1.229 -2.414 1.00 0.00 H new ATOM 0 HB2 PRO A 8 80.716 3.867 -1.783 1.00 0.00 H new ATOM 0 HB3 PRO A 8 82.209 3.083 -1.308 1.00 0.00 H new ATOM 0 HG2 PRO A 8 81.695 4.950 -3.603 1.00 0.00 H new ATOM 0 HG3 PRO A 8 83.096 4.848 -2.555 1.00 0.00 H new ATOM 0 HD2 PRO A 8 83.054 3.800 -5.097 1.00 0.00 H new ATOM 0 HD3 PRO A 8 84.088 3.173 -3.829 1.00 0.00 H new ATOM 129 N LYS A 9 78.947 1.393 -3.346 1.00 0.00 N ATOM 130 CA LYS A 9 77.575 1.492 -3.921 1.00 0.00 C ATOM 131 C LYS A 9 76.734 2.488 -3.120 1.00 0.00 C ATOM 132 O LYS A 9 76.801 2.539 -1.908 1.00 0.00 O ATOM 133 CB LYS A 9 76.996 0.084 -3.801 1.00 0.00 C ATOM 134 CG LYS A 9 75.532 0.094 -4.247 1.00 0.00 C ATOM 135 CD LYS A 9 75.357 -0.831 -5.452 1.00 0.00 C ATOM 136 CE LYS A 9 75.157 -2.269 -4.969 1.00 0.00 C ATOM 137 NZ LYS A 9 75.386 -3.114 -6.172 1.00 0.00 N ATOM 0 H LYS A 9 79.111 0.582 -2.750 1.00 0.00 H new ATOM 0 HA LYS A 9 77.584 1.844 -4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 9 77.570 -0.610 -4.415 1.00 0.00 H new ATOM 0 HB3 LYS A 9 77.071 -0.265 -2.771 1.00 0.00 H new ATOM 0 HG2 LYS A 9 74.890 -0.232 -3.429 1.00 0.00 H new ATOM 0 HG3 LYS A 9 75.227 1.108 -4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 9 74.500 -0.513 -6.046 1.00 0.00 H new ATOM 0 HD3 LYS A 9 76.232 -0.772 -6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 9 75.857 -2.519 -4.172 1.00 0.00 H new ATOM 0 HE3 LYS A 9 74.154 -2.415 -4.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 75.920 -3.965 -5.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 74.471 -3.394 -6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 75.928 -2.575 -6.877 1.00 0.00 H new ATOM 151 N CYS A 10 75.942 3.280 -3.789 1.00 0.00 N ATOM 152 CA CYS A 10 75.098 4.272 -3.067 1.00 0.00 C ATOM 153 C CYS A 10 73.628 3.841 -3.106 1.00 0.00 C ATOM 154 O CYS A 10 73.180 3.211 -4.044 1.00 0.00 O ATOM 155 CB CYS A 10 75.292 5.584 -3.827 1.00 0.00 C ATOM 156 SG CYS A 10 74.616 6.953 -2.855 1.00 0.00 S ATOM 0 H CYS A 10 75.843 3.283 -4.804 1.00 0.00 H new ATOM 0 HA CYS A 10 75.375 4.365 -2.017 1.00 0.00 H new ATOM 0 HB2 CYS A 10 76.352 5.751 -4.021 1.00 0.00 H new ATOM 0 HB3 CYS A 10 74.795 5.532 -4.796 1.00 0.00 H new ATOM 0 HG CYS A 10 73.500 7.354 -3.388 1.00 0.00 H new ATOM 162 N VAL A 11 72.876 4.174 -2.094 1.00 0.00 N ATOM 163 CA VAL A 11 71.438 3.783 -2.073 1.00 0.00 C ATOM 164 C VAL A 11 70.601 4.887 -1.422 1.00 0.00 C ATOM 165 O VAL A 11 70.874 5.315 -0.319 1.00 0.00 O ATOM 166 CB VAL A 11 71.384 2.504 -1.237 1.00 0.00 C ATOM 167 CG1 VAL A 11 72.145 1.391 -1.959 1.00 0.00 C ATOM 168 CG2 VAL A 11 72.030 2.760 0.126 1.00 0.00 C ATOM 0 H VAL A 11 73.195 4.700 -1.280 1.00 0.00 H new ATOM 0 HA VAL A 11 71.038 3.629 -3.075 1.00 0.00 H new ATOM 0 HB VAL A 11 70.345 2.204 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 11 72.107 0.479 -1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 11 71.687 1.209 -2.931 1.00 0.00 H new ATOM 0 HG13 VAL A 11 73.184 1.691 -2.097 1.00 0.00 H new ATOM 0 HG21 VAL A 11 71.992 1.849 0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 11 73.069 3.059 -0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 11 71.490 3.554 0.641 1.00 0.00 H new ATOM 178 N LYS A 12 69.586 5.352 -2.096 1.00 0.00 N ATOM 179 CA LYS A 12 68.739 6.429 -1.511 1.00 0.00 C ATOM 180 C LYS A 12 67.686 5.826 -0.578 1.00 0.00 C ATOM 181 O LYS A 12 66.645 5.373 -1.012 1.00 0.00 O ATOM 182 CB LYS A 12 68.073 7.108 -2.709 1.00 0.00 C ATOM 183 CG LYS A 12 69.091 8.002 -3.417 1.00 0.00 C ATOM 184 CD LYS A 12 69.045 9.408 -2.815 1.00 0.00 C ATOM 185 CE LYS A 12 70.301 10.181 -3.227 1.00 0.00 C ATOM 186 NZ LYS A 12 70.042 10.640 -4.623 1.00 0.00 N ATOM 0 H LYS A 12 69.307 5.034 -3.024 1.00 0.00 H new ATOM 0 HA LYS A 12 69.321 7.134 -0.917 1.00 0.00 H new ATOM 0 HB2 LYS A 12 67.690 6.357 -3.400 1.00 0.00 H new ATOM 0 HB3 LYS A 12 67.221 7.701 -2.377 1.00 0.00 H new ATOM 0 HG2 LYS A 12 70.092 7.583 -3.313 1.00 0.00 H new ATOM 0 HG3 LYS A 12 68.873 8.045 -4.484 1.00 0.00 H new ATOM 0 HD2 LYS A 12 68.153 9.933 -3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 12 68.982 9.348 -1.728 1.00 0.00 H new ATOM 0 HE2 LYS A 12 70.478 11.026 -2.562 1.00 0.00 H new ATOM 0 HE3 LYS A 12 71.186 9.547 -3.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 70.855 11.192 -4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 69.901 9.814 -5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 69.189 11.234 -4.640 1.00 0.00 H new ATOM 200 N LEU A 13 67.950 5.820 0.700 1.00 0.00 N ATOM 201 CA LEU A 13 66.965 5.247 1.661 1.00 0.00 C ATOM 202 C LEU A 13 65.826 6.242 1.907 1.00 0.00 C ATOM 203 O LEU A 13 65.795 6.930 2.905 1.00 0.00 O ATOM 204 CB LEU A 13 67.758 5.007 2.946 1.00 0.00 C ATOM 205 CG LEU A 13 67.581 3.554 3.390 1.00 0.00 C ATOM 206 CD1 LEU A 13 68.534 2.656 2.597 1.00 0.00 C ATOM 207 CD2 LEU A 13 67.895 3.436 4.883 1.00 0.00 C ATOM 0 H LEU A 13 68.804 6.187 1.120 1.00 0.00 H new ATOM 0 HA LEU A 13 66.509 4.330 1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 13 68.814 5.222 2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 13 67.415 5.682 3.730 1.00 0.00 H new ATOM 0 HG LEU A 13 66.553 3.242 3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 13 68.407 1.621 2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 13 68.312 2.739 1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 13 69.563 2.967 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 13 67.769 2.401 5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 13 68.923 3.749 5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 13 67.216 4.074 5.449 1.00 0.00 H new ATOM 219 N ARG A 14 64.891 6.317 1.002 1.00 0.00 N ATOM 220 CA ARG A 14 63.749 7.261 1.175 1.00 0.00 C ATOM 221 C ARG A 14 62.710 6.647 2.116 1.00 0.00 C ATOM 222 O ARG A 14 62.689 5.453 2.329 1.00 0.00 O ATOM 223 CB ARG A 14 63.184 7.438 -0.240 1.00 0.00 C ATOM 224 CG ARG A 14 61.725 7.900 -0.178 1.00 0.00 C ATOM 225 CD ARG A 14 61.662 9.335 0.348 1.00 0.00 C ATOM 226 NE ARG A 14 60.306 9.463 0.947 1.00 0.00 N ATOM 227 CZ ARG A 14 59.776 10.644 1.117 1.00 0.00 C ATOM 228 NH1 ARG A 14 60.534 11.661 1.422 1.00 0.00 N ATOM 229 NH2 ARG A 14 58.489 10.809 0.980 1.00 0.00 N ATOM 0 H ARG A 14 64.867 5.763 0.146 1.00 0.00 H new ATOM 0 HA ARG A 14 64.041 8.215 1.615 1.00 0.00 H new ATOM 0 HB2 ARG A 14 63.780 8.168 -0.788 1.00 0.00 H new ATOM 0 HB3 ARG A 14 63.251 6.497 -0.786 1.00 0.00 H new ATOM 0 HG2 ARG A 14 61.273 7.845 -1.169 1.00 0.00 H new ATOM 0 HG3 ARG A 14 61.151 7.239 0.471 1.00 0.00 H new ATOM 0 HD2 ARG A 14 62.440 9.519 1.089 1.00 0.00 H new ATOM 0 HD3 ARG A 14 61.809 10.057 -0.455 1.00 0.00 H new ATOM 0 HE ARG A 14 59.790 8.628 1.225 1.00 0.00 H new ATOM 0 HH11 ARG A 14 61.540 11.533 1.528 1.00 0.00 H new ATOM 0 HH12 ARG A 14 60.120 12.584 1.555 1.00 0.00 H new ATOM 0 HH21 ARG A 14 57.896 10.015 0.740 1.00 0.00 H new ATOM 0 HH22 ARG A 14 58.076 11.732 1.113 1.00 0.00 H new ATOM 243 N ALA A 15 61.854 7.449 2.691 1.00 0.00 N ATOM 244 CA ALA A 15 60.830 6.887 3.621 1.00 0.00 C ATOM 245 C ALA A 15 59.483 7.595 3.436 1.00 0.00 C ATOM 246 O ALA A 15 59.357 8.780 3.673 1.00 0.00 O ATOM 247 CB ALA A 15 61.384 7.147 5.022 1.00 0.00 C ATOM 0 H ALA A 15 61.818 8.460 2.559 1.00 0.00 H new ATOM 0 HA ALA A 15 60.652 5.827 3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 15 60.687 6.762 5.766 1.00 0.00 H new ATOM 0 HB2 ALA A 15 62.346 6.646 5.132 1.00 0.00 H new ATOM 0 HB3 ALA A 15 61.515 8.219 5.168 1.00 0.00 H new ATOM 253 N LEU A 16 58.474 6.874 3.021 1.00 0.00 N ATOM 254 CA LEU A 16 57.134 7.502 2.829 1.00 0.00 C ATOM 255 C LEU A 16 56.537 7.881 4.186 1.00 0.00 C ATOM 256 O LEU A 16 55.650 8.706 4.278 1.00 0.00 O ATOM 257 CB LEU A 16 56.283 6.429 2.150 1.00 0.00 C ATOM 258 CG LEU A 16 55.879 6.907 0.755 1.00 0.00 C ATOM 259 CD1 LEU A 16 55.545 5.700 -0.123 1.00 0.00 C ATOM 260 CD2 LEU A 16 54.650 7.815 0.860 1.00 0.00 C ATOM 0 H LEU A 16 58.520 5.878 2.807 1.00 0.00 H new ATOM 0 HA LEU A 16 57.185 8.414 2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 16 56.843 5.497 2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 16 55.395 6.222 2.747 1.00 0.00 H new ATOM 0 HG LEU A 16 56.705 7.463 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 16 55.257 6.042 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 16 56.419 5.053 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 16 54.720 5.143 0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 16 54.363 8.155 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 16 53.825 7.260 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 16 54.887 8.677 1.484 1.00 0.00 H new ATOM 272 N HIS A 17 57.022 7.286 5.241 1.00 0.00 N ATOM 273 CA HIS A 17 56.492 7.612 6.594 1.00 0.00 C ATOM 274 C HIS A 17 57.113 8.918 7.096 1.00 0.00 C ATOM 275 O HIS A 17 56.853 9.358 8.198 1.00 0.00 O ATOM 276 CB HIS A 17 56.920 6.443 7.480 1.00 0.00 C ATOM 277 CG HIS A 17 55.719 5.875 8.186 1.00 0.00 C ATOM 278 ND1 HIS A 17 55.017 4.708 8.007 1.00 0.00 N flip ATOM 279 CD2 HIS A 17 55.097 6.533 9.235 1.00 0.00 C flip ATOM 280 CE1 HIS A 17 53.977 4.640 8.929 1.00 0.00 C flip ATOM 281 NE2 HIS A 17 54.071 5.764 9.644 1.00 0.00 N flip ATOM 0 H HIS A 17 57.764 6.587 5.224 1.00 0.00 H new ATOM 0 HA HIS A 17 55.410 7.748 6.595 1.00 0.00 H new ATOM 0 HB2 HIS A 17 57.397 5.672 6.875 1.00 0.00 H new ATOM 0 HB3 HIS A 17 57.658 6.778 8.209 1.00 0.00 H new ATOM 0 HD2 HIS A 17 55.383 7.489 9.649 1.00 0.00 H new ATOM 0 HE1 HIS A 17 53.251 3.849 9.042 1.00 0.00 H new ATOM 0 HE2 HIS A 17 53.441 6.010 10.408 1.00 0.00 H new ATOM 289 N SER A 18 57.934 9.539 6.293 1.00 0.00 N ATOM 290 CA SER A 18 58.574 10.812 6.721 1.00 0.00 C ATOM 291 C SER A 18 58.549 11.824 5.574 1.00 0.00 C ATOM 292 O SER A 18 57.786 11.697 4.636 1.00 0.00 O ATOM 293 CB SER A 18 60.013 10.434 7.067 1.00 0.00 C ATOM 294 OG SER A 18 60.364 11.016 8.315 1.00 0.00 O ATOM 0 H SER A 18 58.188 9.218 5.359 1.00 0.00 H new ATOM 0 HA SER A 18 58.059 11.271 7.564 1.00 0.00 H new ATOM 0 HB2 SER A 18 60.114 9.350 7.117 1.00 0.00 H new ATOM 0 HB3 SER A 18 60.690 10.782 6.287 1.00 0.00 H new ATOM 0 HG SER A 18 61.286 10.774 8.541 1.00 0.00 H new ATOM 300 N ALA A 19 59.377 12.828 5.641 1.00 0.00 N ATOM 301 CA ALA A 19 59.400 13.847 4.556 1.00 0.00 C ATOM 302 C ALA A 19 60.812 13.978 3.978 1.00 0.00 C ATOM 303 O ALA A 19 61.270 15.063 3.680 1.00 0.00 O ATOM 304 CB ALA A 19 58.973 15.150 5.233 1.00 0.00 C ATOM 0 H ALA A 19 60.039 12.987 6.400 1.00 0.00 H new ATOM 0 HA ALA A 19 58.744 13.583 3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 19 58.964 15.956 4.499 1.00 0.00 H new ATOM 0 HB2 ALA A 19 57.975 15.031 5.654 1.00 0.00 H new ATOM 0 HB3 ALA A 19 59.676 15.393 6.030 1.00 0.00 H new ATOM 310 N CYS A 20 61.510 12.884 3.815 1.00 0.00 N ATOM 311 CA CYS A 20 62.890 12.966 3.255 1.00 0.00 C ATOM 312 C CYS A 20 63.459 11.567 2.998 1.00 0.00 C ATOM 313 O CYS A 20 62.736 10.590 2.913 1.00 0.00 O ATOM 314 CB CYS A 20 63.708 13.686 4.327 1.00 0.00 C ATOM 315 SG CYS A 20 63.757 12.677 5.829 1.00 0.00 S ATOM 0 H CYS A 20 61.186 11.944 4.044 1.00 0.00 H new ATOM 0 HA CYS A 20 62.910 13.489 2.299 1.00 0.00 H new ATOM 0 HB2 CYS A 20 64.720 13.869 3.966 1.00 0.00 H new ATOM 0 HB3 CYS A 20 63.267 14.659 4.544 1.00 0.00 H new ATOM 0 HG CYS A 20 64.455 13.288 6.740 1.00 0.00 H new ATOM 321 N LYS A 21 64.755 11.469 2.872 1.00 0.00 N ATOM 322 CA LYS A 21 65.390 10.146 2.616 1.00 0.00 C ATOM 323 C LYS A 21 66.802 10.120 3.208 1.00 0.00 C ATOM 324 O LYS A 21 67.148 10.930 4.045 1.00 0.00 O ATOM 325 CB LYS A 21 65.448 10.026 1.093 1.00 0.00 C ATOM 326 CG LYS A 21 66.101 11.280 0.508 1.00 0.00 C ATOM 327 CD LYS A 21 66.143 11.172 -1.016 1.00 0.00 C ATOM 328 CE LYS A 21 64.738 10.880 -1.547 1.00 0.00 C ATOM 329 NZ LYS A 21 64.761 11.335 -2.964 1.00 0.00 N ATOM 0 H LYS A 21 65.404 12.253 2.936 1.00 0.00 H new ATOM 0 HA LYS A 21 64.836 9.324 3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 21 66.016 9.140 0.809 1.00 0.00 H new ATOM 0 HB3 LYS A 21 64.443 9.904 0.688 1.00 0.00 H new ATOM 0 HG2 LYS A 21 65.540 12.166 0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 21 67.111 11.395 0.903 1.00 0.00 H new ATOM 0 HD2 LYS A 21 66.520 12.100 -1.446 1.00 0.00 H new ATOM 0 HD3 LYS A 21 66.828 10.379 -1.316 1.00 0.00 H new ATOM 0 HE2 LYS A 21 64.502 9.818 -1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 21 63.980 11.413 -0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 63.831 11.168 -3.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 64.981 12.351 -2.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 65.487 10.805 -3.487 1.00 0.00 H new ATOM 343 N PHE A 22 67.621 9.200 2.778 1.00 0.00 N ATOM 344 CA PHE A 22 69.011 9.131 3.316 1.00 0.00 C ATOM 345 C PHE A 22 69.955 8.526 2.273 1.00 0.00 C ATOM 346 O PHE A 22 70.142 7.327 2.215 1.00 0.00 O ATOM 347 CB PHE A 22 68.922 8.222 4.542 1.00 0.00 C ATOM 348 CG PHE A 22 70.305 8.002 5.107 1.00 0.00 C ATOM 349 CD1 PHE A 22 71.221 9.060 5.151 1.00 0.00 C ATOM 350 CD2 PHE A 22 70.672 6.740 5.587 1.00 0.00 C ATOM 351 CE1 PHE A 22 72.503 8.855 5.674 1.00 0.00 C ATOM 352 CE2 PHE A 22 71.954 6.535 6.111 1.00 0.00 C ATOM 353 CZ PHE A 22 72.869 7.593 6.154 1.00 0.00 C ATOM 0 H PHE A 22 67.390 8.494 2.079 1.00 0.00 H new ATOM 0 HA PHE A 22 69.401 10.117 3.567 1.00 0.00 H new ATOM 0 HB2 PHE A 22 68.277 8.673 5.296 1.00 0.00 H new ATOM 0 HB3 PHE A 22 68.473 7.267 4.268 1.00 0.00 H new ATOM 0 HD1 PHE A 22 70.938 10.035 4.781 1.00 0.00 H new ATOM 0 HD2 PHE A 22 69.966 5.924 5.553 1.00 0.00 H new ATOM 0 HE1 PHE A 22 73.210 9.671 5.707 1.00 0.00 H new ATOM 0 HE2 PHE A 22 72.237 5.561 6.482 1.00 0.00 H new ATOM 0 HZ PHE A 22 73.858 7.435 6.558 1.00 0.00 H new ATOM 363 N GLY A 23 70.552 9.344 1.450 1.00 0.00 N ATOM 364 CA GLY A 23 71.485 8.811 0.417 1.00 0.00 C ATOM 365 C GLY A 23 72.742 8.272 1.100 1.00 0.00 C ATOM 366 O GLY A 23 73.704 8.986 1.304 1.00 0.00 O ATOM 0 H GLY A 23 70.434 10.357 1.448 1.00 0.00 H new ATOM 0 HA2 GLY A 23 71.000 8.019 -0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 23 71.750 9.597 -0.290 1.00 0.00 H new ATOM 370 N VAL A 24 72.743 7.018 1.462 1.00 0.00 N ATOM 371 CA VAL A 24 73.940 6.439 2.138 1.00 0.00 C ATOM 372 C VAL A 24 74.816 5.690 1.128 1.00 0.00 C ATOM 373 O VAL A 24 74.325 5.067 0.208 1.00 0.00 O ATOM 374 CB VAL A 24 73.377 5.481 3.194 1.00 0.00 C ATOM 375 CG1 VAL A 24 72.953 4.164 2.537 1.00 0.00 C ATOM 376 CG2 VAL A 24 74.450 5.201 4.249 1.00 0.00 C ATOM 0 H VAL A 24 71.968 6.370 1.319 1.00 0.00 H new ATOM 0 HA VAL A 24 74.572 7.206 2.586 1.00 0.00 H new ATOM 0 HB VAL A 24 72.508 5.940 3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 24 72.555 3.491 3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 24 72.186 4.361 1.788 1.00 0.00 H new ATOM 0 HG13 VAL A 24 73.816 3.701 2.059 1.00 0.00 H new ATOM 0 HG21 VAL A 24 74.052 4.520 5.001 1.00 0.00 H new ATOM 0 HG22 VAL A 24 75.319 4.747 3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 24 74.744 6.136 4.726 1.00 0.00 H new ATOM 386 N ALA A 25 76.109 5.748 1.296 1.00 0.00 N ATOM 387 CA ALA A 25 77.017 5.038 0.349 1.00 0.00 C ATOM 388 C ALA A 25 77.999 4.155 1.123 1.00 0.00 C ATOM 389 O ALA A 25 78.391 4.468 2.228 1.00 0.00 O ATOM 390 CB ALA A 25 77.764 6.148 -0.390 1.00 0.00 C ATOM 0 H ALA A 25 76.576 6.256 2.047 1.00 0.00 H new ATOM 0 HA ALA A 25 76.474 4.387 -0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 25 78.455 5.706 -1.108 1.00 0.00 H new ATOM 0 HB2 ALA A 25 77.049 6.780 -0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 25 78.322 6.751 0.327 1.00 0.00 H new ATOM 396 N ALA A 26 78.399 3.054 0.549 1.00 0.00 N ATOM 397 CA ALA A 26 79.356 2.154 1.256 1.00 0.00 C ATOM 398 C ALA A 26 79.825 1.038 0.318 1.00 0.00 C ATOM 399 O ALA A 26 79.140 0.668 -0.614 1.00 0.00 O ATOM 400 CB ALA A 26 78.563 1.574 2.427 1.00 0.00 C ATOM 0 H ALA A 26 78.106 2.738 -0.376 1.00 0.00 H new ATOM 0 HA ALA A 26 80.249 2.682 1.591 1.00 0.00 H new ATOM 0 HB1 ALA A 26 79.200 0.899 2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 26 78.222 2.384 3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 26 77.701 1.025 2.047 1.00 0.00 H new ATOM 406 N ARG A 27 80.990 0.500 0.559 1.00 0.00 N ATOM 407 CA ARG A 27 81.506 -0.590 -0.318 1.00 0.00 C ATOM 408 C ARG A 27 80.594 -1.816 -0.240 1.00 0.00 C ATOM 409 O ARG A 27 80.051 -2.262 -1.232 1.00 0.00 O ATOM 410 CB ARG A 27 82.894 -0.919 0.233 1.00 0.00 C ATOM 411 CG ARG A 27 83.833 0.264 -0.012 1.00 0.00 C ATOM 412 CD ARG A 27 85.084 -0.220 -0.749 1.00 0.00 C ATOM 413 NE ARG A 27 86.177 -0.144 0.259 1.00 0.00 N ATOM 414 CZ ARG A 27 87.423 -0.181 -0.126 1.00 0.00 C ATOM 415 NH1 ARG A 27 87.760 -0.868 -1.183 1.00 0.00 N ATOM 416 NH2 ARG A 27 88.334 0.468 0.546 1.00 0.00 N ATOM 0 H ARG A 27 81.607 0.768 1.326 1.00 0.00 H new ATOM 0 HA ARG A 27 81.542 -0.291 -1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 27 82.832 -1.133 1.300 1.00 0.00 H new ATOM 0 HB3 ARG A 27 83.286 -1.814 -0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 27 83.325 1.029 -0.599 1.00 0.00 H new ATOM 0 HG3 ARG A 27 84.112 0.723 0.937 1.00 0.00 H new ATOM 0 HD2 ARG A 27 84.956 -1.238 -1.117 1.00 0.00 H new ATOM 0 HD3 ARG A 27 85.300 0.407 -1.614 1.00 0.00 H new ATOM 0 HE ARG A 27 85.952 -0.063 1.251 1.00 0.00 H new ATOM 0 HH11 ARG A 27 87.049 -1.376 -1.709 1.00 0.00 H new ATOM 0 HH12 ARG A 27 88.734 -0.896 -1.483 1.00 0.00 H new ATOM 0 HH21 ARG A 27 88.072 1.005 1.373 1.00 0.00 H new ATOM 0 HH22 ARG A 27 89.308 0.439 0.244 1.00 0.00 H new ATOM 430 N SER A 28 80.424 -2.370 0.931 1.00 0.00 N ATOM 431 CA SER A 28 79.550 -3.570 1.067 1.00 0.00 C ATOM 432 C SER A 28 78.089 -3.150 1.228 1.00 0.00 C ATOM 433 O SER A 28 77.638 -2.845 2.314 1.00 0.00 O ATOM 434 CB SER A 28 80.043 -4.282 2.326 1.00 0.00 C ATOM 435 OG SER A 28 80.516 -3.317 3.256 1.00 0.00 O ATOM 0 H SER A 28 80.852 -2.044 1.797 1.00 0.00 H new ATOM 0 HA SER A 28 79.599 -4.213 0.189 1.00 0.00 H new ATOM 0 HB2 SER A 28 79.235 -4.865 2.768 1.00 0.00 H new ATOM 0 HB3 SER A 28 80.840 -4.982 2.074 1.00 0.00 H new ATOM 0 HG SER A 28 80.831 -3.770 4.066 1.00 0.00 H new ATOM 441 N CYS A 29 77.344 -3.136 0.155 1.00 0.00 N ATOM 442 CA CYS A 29 75.909 -2.742 0.250 1.00 0.00 C ATOM 443 C CYS A 29 75.280 -3.382 1.488 1.00 0.00 C ATOM 444 O CYS A 29 74.426 -2.807 2.132 1.00 0.00 O ATOM 445 CB CYS A 29 75.260 -3.283 -1.023 1.00 0.00 C ATOM 446 SG CYS A 29 75.483 -5.079 -1.099 1.00 0.00 S ATOM 0 H CYS A 29 77.667 -3.380 -0.781 1.00 0.00 H new ATOM 0 HA CYS A 29 75.778 -1.664 0.341 1.00 0.00 H new ATOM 0 HB2 CYS A 29 74.198 -3.037 -1.035 1.00 0.00 H new ATOM 0 HB3 CYS A 29 75.706 -2.813 -1.899 1.00 0.00 H new ATOM 0 HG CYS A 29 74.353 -5.644 -1.406 1.00 0.00 H new ATOM 452 N GLN A 30 75.708 -4.567 1.832 1.00 0.00 N ATOM 453 CA GLN A 30 75.144 -5.240 3.036 1.00 0.00 C ATOM 454 C GLN A 30 75.260 -4.307 4.240 1.00 0.00 C ATOM 455 O GLN A 30 74.444 -4.328 5.142 1.00 0.00 O ATOM 456 CB GLN A 30 76.007 -6.485 3.237 1.00 0.00 C ATOM 457 CG GLN A 30 75.108 -7.711 3.396 1.00 0.00 C ATOM 458 CD GLN A 30 75.905 -8.977 3.069 1.00 0.00 C ATOM 459 OE1 GLN A 30 76.365 -9.664 3.959 1.00 0.00 O ATOM 460 NE2 GLN A 30 76.090 -9.313 1.822 1.00 0.00 N ATOM 0 H GLN A 30 76.422 -5.097 1.332 1.00 0.00 H new ATOM 0 HA GLN A 30 74.091 -5.496 2.921 1.00 0.00 H new ATOM 0 HB2 GLN A 30 76.674 -6.619 2.386 1.00 0.00 H new ATOM 0 HB3 GLN A 30 76.636 -6.366 4.119 1.00 0.00 H new ATOM 0 HG2 GLN A 30 74.724 -7.764 4.415 1.00 0.00 H new ATOM 0 HG3 GLN A 30 74.246 -7.631 2.734 1.00 0.00 H new ATOM 0 HE21 GLN A 30 75.703 -8.735 1.075 1.00 0.00 H new ATOM 0 HE22 GLN A 30 76.621 -10.153 1.594 1.00 0.00 H new ATOM 469 N GLU A 31 76.269 -3.481 4.253 1.00 0.00 N ATOM 470 CA GLU A 31 76.450 -2.533 5.386 1.00 0.00 C ATOM 471 C GLU A 31 75.426 -1.402 5.283 1.00 0.00 C ATOM 472 O GLU A 31 74.961 -0.880 6.276 1.00 0.00 O ATOM 473 CB GLU A 31 77.872 -1.994 5.224 1.00 0.00 C ATOM 474 CG GLU A 31 78.329 -1.350 6.533 1.00 0.00 C ATOM 475 CD GLU A 31 79.512 -2.136 7.103 1.00 0.00 C ATOM 476 OE1 GLU A 31 79.319 -3.289 7.453 1.00 0.00 O ATOM 477 OE2 GLU A 31 80.591 -1.571 7.182 1.00 0.00 O ATOM 0 H GLU A 31 76.979 -3.422 3.523 1.00 0.00 H new ATOM 0 HA GLU A 31 76.306 -3.006 6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 31 78.549 -2.803 4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 31 77.905 -1.263 4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 31 78.617 -0.313 6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 31 77.508 -1.337 7.250 1.00 0.00 H new ATOM 484 N LEU A 32 75.070 -1.024 4.086 1.00 0.00 N ATOM 485 CA LEU A 32 74.071 0.069 3.915 1.00 0.00 C ATOM 486 C LEU A 32 72.664 -0.455 4.215 1.00 0.00 C ATOM 487 O LEU A 32 71.845 0.234 4.790 1.00 0.00 O ATOM 488 CB LEU A 32 74.183 0.492 2.448 1.00 0.00 C ATOM 489 CG LEU A 32 75.377 1.431 2.272 1.00 0.00 C ATOM 490 CD1 LEU A 32 75.378 1.995 0.850 1.00 0.00 C ATOM 491 CD2 LEU A 32 75.277 2.582 3.275 1.00 0.00 C ATOM 0 H LEU A 32 75.428 -1.425 3.219 1.00 0.00 H new ATOM 0 HA LEU A 32 74.254 0.904 4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 32 74.303 -0.387 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 32 73.266 0.990 2.132 1.00 0.00 H new ATOM 0 HG LEU A 32 76.300 0.878 2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 32 76.229 2.664 0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 32 75.452 1.176 0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 32 74.454 2.547 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 32 76.129 3.250 3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 32 74.353 3.135 3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 32 75.277 2.182 4.289 1.00 0.00 H new ATOM 503 N LEU A 33 72.379 -1.670 3.833 1.00 0.00 N ATOM 504 CA LEU A 33 71.026 -2.236 4.101 1.00 0.00 C ATOM 505 C LEU A 33 70.808 -2.375 5.610 1.00 0.00 C ATOM 506 O LEU A 33 69.914 -1.775 6.175 1.00 0.00 O ATOM 507 CB LEU A 33 71.025 -3.608 3.427 1.00 0.00 C ATOM 508 CG LEU A 33 71.310 -3.442 1.933 1.00 0.00 C ATOM 509 CD1 LEU A 33 71.513 -4.818 1.295 1.00 0.00 C ATOM 510 CD2 LEU A 33 70.127 -2.740 1.262 1.00 0.00 C ATOM 0 H LEU A 33 73.023 -2.294 3.348 1.00 0.00 H new ATOM 0 HA LEU A 33 70.227 -1.600 3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 33 71.779 -4.250 3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 33 70.061 -4.096 3.572 1.00 0.00 H new ATOM 0 HG LEU A 33 72.211 -2.843 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 33 71.716 -4.699 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 33 72.356 -5.319 1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.612 -5.417 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.330 -2.622 0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 33 69.226 -3.338 1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 33 69.981 -1.759 1.715 1.00 0.00 H new ATOM 522 N ARG A 34 71.624 -3.152 6.271 1.00 0.00 N ATOM 523 CA ARG A 34 71.462 -3.317 7.744 1.00 0.00 C ATOM 524 C ARG A 34 71.492 -1.948 8.424 1.00 0.00 C ATOM 525 O ARG A 34 70.555 -1.549 9.088 1.00 0.00 O ATOM 526 CB ARG A 34 72.656 -4.163 8.185 1.00 0.00 C ATOM 527 CG ARG A 34 72.164 -5.338 9.032 1.00 0.00 C ATOM 528 CD ARG A 34 71.536 -4.808 10.322 1.00 0.00 C ATOM 529 NE ARG A 34 72.603 -3.986 10.957 1.00 0.00 N ATOM 530 CZ ARG A 34 73.635 -4.568 11.503 1.00 0.00 C ATOM 531 NH1 ARG A 34 74.613 -4.999 10.754 1.00 0.00 N ATOM 532 NH2 ARG A 34 73.689 -4.718 12.798 1.00 0.00 N ATOM 0 H ARG A 34 72.393 -3.678 5.856 1.00 0.00 H new ATOM 0 HA ARG A 34 70.515 -3.788 8.009 1.00 0.00 H new ATOM 0 HB2 ARG A 34 73.196 -4.531 7.313 1.00 0.00 H new ATOM 0 HB3 ARG A 34 73.354 -3.554 8.759 1.00 0.00 H new ATOM 0 HG2 ARG A 34 71.434 -5.923 8.473 1.00 0.00 H new ATOM 0 HG3 ARG A 34 72.994 -6.004 9.266 1.00 0.00 H new ATOM 0 HD2 ARG A 34 70.649 -4.211 10.113 1.00 0.00 H new ATOM 0 HD3 ARG A 34 71.225 -5.624 10.974 1.00 0.00 H new ATOM 0 HE ARG A 34 72.527 -2.969 10.965 1.00 0.00 H new ATOM 0 HH11 ARG A 34 74.570 -4.881 9.742 1.00 0.00 H new ATOM 0 HH12 ARG A 34 75.420 -5.454 11.181 1.00 0.00 H new ATOM 0 HH21 ARG A 34 72.925 -4.380 13.383 1.00 0.00 H new ATOM 0 HH22 ARG A 34 74.496 -5.173 13.226 1.00 0.00 H new ATOM 546 N LYS A 35 72.557 -1.223 8.251 1.00 0.00 N ATOM 547 CA LYS A 35 72.648 0.126 8.874 1.00 0.00 C ATOM 548 C LYS A 35 71.397 0.933 8.521 1.00 0.00 C ATOM 549 O LYS A 35 70.924 1.741 9.297 1.00 0.00 O ATOM 550 CB LYS A 35 73.894 0.769 8.261 1.00 0.00 C ATOM 551 CG LYS A 35 75.146 0.063 8.787 1.00 0.00 C ATOM 552 CD LYS A 35 76.390 0.672 8.136 1.00 0.00 C ATOM 553 CE LYS A 35 76.325 2.198 8.230 1.00 0.00 C ATOM 554 NZ LYS A 35 77.663 2.668 7.771 1.00 0.00 N ATOM 0 H LYS A 35 73.371 -1.505 7.705 1.00 0.00 H new ATOM 0 HA LYS A 35 72.715 0.083 9.961 1.00 0.00 H new ATOM 0 HB2 LYS A 35 73.854 0.699 7.174 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.929 1.829 8.512 1.00 0.00 H new ATOM 0 HG2 LYS A 35 75.204 0.163 9.871 1.00 0.00 H new ATOM 0 HG3 LYS A 35 75.094 -1.003 8.568 1.00 0.00 H new ATOM 0 HD2 LYS A 35 77.289 0.305 8.632 1.00 0.00 H new ATOM 0 HD3 LYS A 35 76.454 0.364 7.092 1.00 0.00 H new ATOM 0 HE2 LYS A 35 75.529 2.599 7.603 1.00 0.00 H new ATOM 0 HE3 LYS A 35 76.121 2.523 9.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 77.697 3.707 7.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 78.400 2.276 8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 77.827 2.350 6.794 1.00 0.00 H new ATOM 568 N GLY A 36 70.854 0.711 7.354 1.00 0.00 N ATOM 569 CA GLY A 36 69.630 1.454 6.947 1.00 0.00 C ATOM 570 C GLY A 36 68.493 1.116 7.911 1.00 0.00 C ATOM 571 O GLY A 36 67.858 1.990 8.464 1.00 0.00 O ATOM 0 H GLY A 36 71.207 0.046 6.665 1.00 0.00 H new ATOM 0 HA2 GLY A 36 69.822 2.527 6.954 1.00 0.00 H new ATOM 0 HA3 GLY A 36 69.350 1.187 5.928 1.00 0.00 H new ATOM 575 N CYS A 37 68.233 -0.147 8.123 1.00 0.00 N ATOM 576 CA CYS A 37 67.138 -0.529 9.061 1.00 0.00 C ATOM 577 C CYS A 37 67.449 -0.004 10.465 1.00 0.00 C ATOM 578 O CYS A 37 66.576 0.116 11.301 1.00 0.00 O ATOM 579 CB CYS A 37 67.114 -2.056 9.062 1.00 0.00 C ATOM 580 SG CYS A 37 65.825 -2.627 10.197 1.00 0.00 S ATOM 0 H CYS A 37 68.728 -0.926 7.690 1.00 0.00 H new ATOM 0 HA CYS A 37 66.177 -0.111 8.760 1.00 0.00 H new ATOM 0 HB2 CYS A 37 66.922 -2.430 8.056 1.00 0.00 H new ATOM 0 HB3 CYS A 37 68.084 -2.447 9.368 1.00 0.00 H new ATOM 0 HG CYS A 37 65.796 -3.927 10.202 1.00 0.00 H new ATOM 586 N VAL A 38 68.689 0.308 10.730 1.00 0.00 N ATOM 587 CA VAL A 38 69.057 0.825 12.080 1.00 0.00 C ATOM 588 C VAL A 38 68.686 2.306 12.195 1.00 0.00 C ATOM 589 O VAL A 38 68.076 2.731 13.157 1.00 0.00 O ATOM 590 CB VAL A 38 70.571 0.643 12.178 1.00 0.00 C ATOM 591 CG1 VAL A 38 71.068 1.211 13.509 1.00 0.00 C ATOM 592 CG2 VAL A 38 70.911 -0.849 12.103 1.00 0.00 C ATOM 0 H VAL A 38 69.463 0.227 10.070 1.00 0.00 H new ATOM 0 HA VAL A 38 68.533 0.301 12.880 1.00 0.00 H new ATOM 0 HB VAL A 38 71.054 1.169 11.355 1.00 0.00 H new ATOM 0 HG11 VAL A 38 72.148 1.081 13.579 1.00 0.00 H new ATOM 0 HG12 VAL A 38 70.826 2.272 13.565 1.00 0.00 H new ATOM 0 HG13 VAL A 38 70.585 0.685 14.332 1.00 0.00 H new ATOM 0 HG21 VAL A 38 71.991 -0.980 12.173 1.00 0.00 H new ATOM 0 HG22 VAL A 38 70.428 -1.374 12.927 1.00 0.00 H new ATOM 0 HG23 VAL A 38 70.557 -1.256 11.156 1.00 0.00 H new ATOM 602 N ARG A 39 69.048 3.093 11.220 1.00 0.00 N ATOM 603 CA ARG A 39 68.715 4.546 11.271 1.00 0.00 C ATOM 604 C ARG A 39 67.238 4.758 10.933 1.00 0.00 C ATOM 605 O ARG A 39 66.594 5.651 11.447 1.00 0.00 O ATOM 606 CB ARG A 39 69.609 5.194 10.214 1.00 0.00 C ATOM 607 CG ARG A 39 69.184 6.650 10.014 1.00 0.00 C ATOM 608 CD ARG A 39 69.391 7.426 11.318 1.00 0.00 C ATOM 609 NE ARG A 39 69.248 8.859 10.939 1.00 0.00 N ATOM 610 CZ ARG A 39 69.481 9.796 11.818 1.00 0.00 C ATOM 611 NH1 ARG A 39 69.786 9.480 13.049 1.00 0.00 N ATOM 612 NH2 ARG A 39 69.409 11.051 11.467 1.00 0.00 N ATOM 0 H ARG A 39 69.560 2.794 10.390 1.00 0.00 H new ATOM 0 HA ARG A 39 68.879 4.976 12.259 1.00 0.00 H new ATOM 0 HB2 ARG A 39 70.652 5.148 10.526 1.00 0.00 H new ATOM 0 HB3 ARG A 39 69.533 4.649 9.273 1.00 0.00 H new ATOM 0 HG2 ARG A 39 69.767 7.103 9.212 1.00 0.00 H new ATOM 0 HG3 ARG A 39 68.137 6.696 9.713 1.00 0.00 H new ATOM 0 HD2 ARG A 39 68.654 7.141 12.069 1.00 0.00 H new ATOM 0 HD3 ARG A 39 70.374 7.226 11.744 1.00 0.00 H new ATOM 0 HE ARG A 39 68.967 9.109 9.991 1.00 0.00 H new ATOM 0 HH11 ARG A 39 69.842 8.500 13.325 1.00 0.00 H new ATOM 0 HH12 ARG A 39 69.968 10.214 13.734 1.00 0.00 H new ATOM 0 HH21 ARG A 39 69.171 11.299 10.507 1.00 0.00 H new ATOM 0 HH22 ARG A 39 69.591 11.784 12.153 1.00 0.00 H new ATOM 626 N PHE A 40 66.696 3.940 10.074 1.00 0.00 N ATOM 627 CA PHE A 40 65.261 4.089 9.705 1.00 0.00 C ATOM 628 C PHE A 40 64.397 3.261 10.658 1.00 0.00 C ATOM 629 O PHE A 40 63.190 3.399 10.702 1.00 0.00 O ATOM 630 CB PHE A 40 65.160 3.554 8.276 1.00 0.00 C ATOM 631 CG PHE A 40 65.274 4.705 7.305 1.00 0.00 C ATOM 632 CD1 PHE A 40 66.052 5.822 7.633 1.00 0.00 C ATOM 633 CD2 PHE A 40 64.599 4.659 6.079 1.00 0.00 C ATOM 634 CE1 PHE A 40 66.154 6.892 6.737 1.00 0.00 C ATOM 635 CE2 PHE A 40 64.703 5.730 5.182 1.00 0.00 C ATOM 636 CZ PHE A 40 65.480 6.847 5.512 1.00 0.00 C ATOM 0 H PHE A 40 67.186 3.174 9.611 1.00 0.00 H new ATOM 0 HA PHE A 40 64.915 5.120 9.771 1.00 0.00 H new ATOM 0 HB2 PHE A 40 65.950 2.827 8.091 1.00 0.00 H new ATOM 0 HB3 PHE A 40 64.211 3.036 8.135 1.00 0.00 H new ATOM 0 HD1 PHE A 40 66.574 5.858 8.578 1.00 0.00 H new ATOM 0 HD2 PHE A 40 63.998 3.798 5.825 1.00 0.00 H new ATOM 0 HE1 PHE A 40 66.754 7.753 6.991 1.00 0.00 H new ATOM 0 HE2 PHE A 40 64.184 5.694 4.236 1.00 0.00 H new ATOM 0 HZ PHE A 40 65.559 7.673 4.821 1.00 0.00 H new ATOM 646 N GLN A 41 65.012 2.403 11.425 1.00 0.00 N ATOM 647 CA GLN A 41 64.239 1.564 12.385 1.00 0.00 C ATOM 648 C GLN A 41 63.108 0.830 11.662 1.00 0.00 C ATOM 649 O GLN A 41 61.974 1.266 11.663 1.00 0.00 O ATOM 650 CB GLN A 41 63.671 2.555 13.401 1.00 0.00 C ATOM 651 CG GLN A 41 64.016 2.091 14.816 1.00 0.00 C ATOM 652 CD GLN A 41 65.019 3.064 15.442 1.00 0.00 C ATOM 653 OE1 GLN A 41 65.897 3.655 14.680 1.00 0.00 O flip ATOM 654 NE2 GLN A 41 65.000 3.288 16.635 1.00 0.00 N flip ATOM 0 H GLN A 41 66.020 2.246 11.428 1.00 0.00 H new ATOM 0 HA GLN A 41 64.858 0.800 12.857 1.00 0.00 H new ATOM 0 HB2 GLN A 41 64.081 3.549 13.223 1.00 0.00 H new ATOM 0 HB3 GLN A 41 62.590 2.631 13.285 1.00 0.00 H new ATOM 0 HG2 GLN A 41 63.113 2.042 15.424 1.00 0.00 H new ATOM 0 HG3 GLN A 41 64.437 1.086 14.788 1.00 0.00 H new ATOM 0 HE21 GLN A 41 64.313 2.825 17.230 1.00 0.00 H new ATOM 0 HE22 GLN A 41 65.671 3.939 17.042 1.00 0.00 H new ATOM 663 N LEU A 42 63.402 -0.284 11.048 1.00 0.00 N ATOM 664 CA LEU A 42 62.334 -1.039 10.332 1.00 0.00 C ATOM 665 C LEU A 42 62.192 -2.447 10.918 1.00 0.00 C ATOM 666 O LEU A 42 63.050 -3.287 10.728 1.00 0.00 O ATOM 667 CB LEU A 42 62.797 -1.107 8.878 1.00 0.00 C ATOM 668 CG LEU A 42 61.578 -1.111 7.956 1.00 0.00 C ATOM 669 CD1 LEU A 42 60.725 -2.346 8.246 1.00 0.00 C ATOM 670 CD2 LEU A 42 60.747 0.149 8.209 1.00 0.00 C ATOM 0 H LEU A 42 64.331 -0.703 11.011 1.00 0.00 H new ATOM 0 HA LEU A 42 61.360 -0.558 10.426 1.00 0.00 H new ATOM 0 HB2 LEU A 42 63.437 -0.255 8.649 1.00 0.00 H new ATOM 0 HB3 LEU A 42 63.392 -2.006 8.716 1.00 0.00 H new ATOM 0 HG LEU A 42 61.907 -1.131 6.917 1.00 0.00 H new ATOM 0 HD11 LEU A 42 59.855 -2.350 7.589 1.00 0.00 H new ATOM 0 HD12 LEU A 42 61.316 -3.245 8.071 1.00 0.00 H new ATOM 0 HD13 LEU A 42 60.395 -2.325 9.285 1.00 0.00 H new ATOM 0 HD21 LEU A 42 59.877 0.149 7.553 1.00 0.00 H new ATOM 0 HD22 LEU A 42 60.418 0.165 9.248 1.00 0.00 H new ATOM 0 HD23 LEU A 42 61.354 1.032 8.007 1.00 0.00 H new ATOM 682 N PRO A 43 61.106 -2.655 11.612 1.00 0.00 N ATOM 683 CA PRO A 43 60.842 -3.974 12.234 1.00 0.00 C ATOM 684 C PRO A 43 60.458 -4.997 11.161 1.00 0.00 C ATOM 685 O PRO A 43 60.237 -4.653 10.017 1.00 0.00 O ATOM 686 CB PRO A 43 59.670 -3.700 13.173 1.00 0.00 C ATOM 687 CG PRO A 43 58.983 -2.503 12.596 1.00 0.00 C ATOM 688 CD PRO A 43 60.032 -1.692 11.879 1.00 0.00 C ATOM 0 HA PRO A 43 61.706 -4.387 12.754 1.00 0.00 H new ATOM 0 HB2 PRO A 43 58.996 -4.555 13.223 1.00 0.00 H new ATOM 0 HB3 PRO A 43 60.015 -3.506 14.189 1.00 0.00 H new ATOM 0 HG2 PRO A 43 58.194 -2.806 11.908 1.00 0.00 H new ATOM 0 HG3 PRO A 43 58.511 -1.914 13.382 1.00 0.00 H new ATOM 0 HD2 PRO A 43 59.642 -1.263 10.956 1.00 0.00 H new ATOM 0 HD3 PRO A 43 60.383 -0.863 12.493 1.00 0.00 H new ATOM 696 N MET A 44 60.379 -6.247 11.518 1.00 0.00 N ATOM 697 CA MET A 44 60.013 -7.285 10.513 1.00 0.00 C ATOM 698 C MET A 44 58.498 -7.299 10.275 1.00 0.00 C ATOM 699 O MET A 44 58.051 -7.266 9.146 1.00 0.00 O ATOM 700 CB MET A 44 60.473 -8.609 11.119 1.00 0.00 C ATOM 701 CG MET A 44 61.189 -9.433 10.050 1.00 0.00 C ATOM 702 SD MET A 44 62.537 -10.371 10.810 1.00 0.00 S ATOM 703 CE MET A 44 63.883 -9.264 10.325 1.00 0.00 C ATOM 0 H MET A 44 60.552 -6.596 12.461 1.00 0.00 H new ATOM 0 HA MET A 44 60.479 -7.095 9.546 1.00 0.00 H new ATOM 0 HB2 MET A 44 61.141 -8.424 11.960 1.00 0.00 H new ATOM 0 HB3 MET A 44 59.617 -9.161 11.507 1.00 0.00 H new ATOM 0 HG2 MET A 44 60.486 -10.112 9.568 1.00 0.00 H new ATOM 0 HG3 MET A 44 61.582 -8.777 9.273 1.00 0.00 H new ATOM 0 HE1 MET A 44 64.560 -9.788 9.650 1.00 0.00 H new ATOM 0 HE2 MET A 44 63.471 -8.390 9.820 1.00 0.00 H new ATOM 0 HE3 MET A 44 64.430 -8.946 11.212 1.00 0.00 H new ATOM 713 N PRO A 45 57.756 -7.353 11.348 1.00 0.00 N ATOM 714 CA PRO A 45 56.277 -7.380 11.245 1.00 0.00 C ATOM 715 C PRO A 45 55.737 -5.983 10.925 1.00 0.00 C ATOM 716 O PRO A 45 56.385 -4.984 11.167 1.00 0.00 O ATOM 717 CB PRO A 45 55.829 -7.834 12.630 1.00 0.00 C ATOM 718 CG PRO A 45 56.941 -7.443 13.553 1.00 0.00 C ATOM 719 CD PRO A 45 58.213 -7.396 12.743 1.00 0.00 C ATOM 0 HA PRO A 45 55.915 -8.033 10.451 1.00 0.00 H new ATOM 0 HB2 PRO A 45 54.893 -7.355 12.917 1.00 0.00 H new ATOM 0 HB3 PRO A 45 55.657 -8.910 12.655 1.00 0.00 H new ATOM 0 HG2 PRO A 45 56.739 -6.472 14.005 1.00 0.00 H new ATOM 0 HG3 PRO A 45 57.032 -8.161 14.368 1.00 0.00 H new ATOM 0 HD2 PRO A 45 58.811 -6.519 12.993 1.00 0.00 H new ATOM 0 HD3 PRO A 45 58.836 -8.271 12.930 1.00 0.00 H new ATOM 727 N GLY A 46 54.552 -5.906 10.384 1.00 0.00 N ATOM 728 CA GLY A 46 53.967 -4.577 10.050 1.00 0.00 C ATOM 729 C GLY A 46 55.030 -3.701 9.383 1.00 0.00 C ATOM 730 O GLY A 46 55.079 -2.505 9.588 1.00 0.00 O ATOM 0 H GLY A 46 53.963 -6.708 10.159 1.00 0.00 H new ATOM 0 HA2 GLY A 46 53.113 -4.701 9.384 1.00 0.00 H new ATOM 0 HA3 GLY A 46 53.598 -4.093 10.954 1.00 0.00 H new ATOM 734 N SER A 47 55.881 -4.287 8.587 1.00 0.00 N ATOM 735 CA SER A 47 56.940 -3.485 7.908 1.00 0.00 C ATOM 736 C SER A 47 57.078 -3.923 6.446 1.00 0.00 C ATOM 737 O SER A 47 56.527 -4.925 6.035 1.00 0.00 O ATOM 738 CB SER A 47 58.220 -3.783 8.690 1.00 0.00 C ATOM 739 OG SER A 47 59.188 -4.358 7.821 1.00 0.00 O ATOM 0 H SER A 47 55.890 -5.285 8.377 1.00 0.00 H new ATOM 0 HA SER A 47 56.713 -2.419 7.895 1.00 0.00 H new ATOM 0 HB2 SER A 47 58.611 -2.866 9.130 1.00 0.00 H new ATOM 0 HB3 SER A 47 58.005 -4.465 9.513 1.00 0.00 H new ATOM 0 HG SER A 47 59.795 -4.927 8.339 1.00 0.00 H new ATOM 745 N ARG A 48 57.804 -3.179 5.657 1.00 0.00 N ATOM 746 CA ARG A 48 57.968 -3.553 4.225 1.00 0.00 C ATOM 747 C ARG A 48 58.727 -2.457 3.473 1.00 0.00 C ATOM 748 O ARG A 48 58.259 -1.344 3.338 1.00 0.00 O ATOM 749 CB ARG A 48 56.543 -3.684 3.683 1.00 0.00 C ATOM 750 CG ARG A 48 56.218 -5.158 3.443 1.00 0.00 C ATOM 751 CD ARG A 48 55.807 -5.356 1.982 1.00 0.00 C ATOM 752 NE ARG A 48 55.296 -6.754 1.911 1.00 0.00 N ATOM 753 CZ ARG A 48 54.097 -6.986 1.453 1.00 0.00 C ATOM 754 NH1 ARG A 48 53.866 -6.923 0.171 1.00 0.00 N ATOM 755 NH2 ARG A 48 53.130 -7.280 2.278 1.00 0.00 N ATOM 0 H ARG A 48 58.290 -2.329 5.943 1.00 0.00 H new ATOM 0 HA ARG A 48 58.538 -4.474 4.104 1.00 0.00 H new ATOM 0 HB2 ARG A 48 55.833 -3.256 4.391 1.00 0.00 H new ATOM 0 HB3 ARG A 48 56.444 -3.124 2.753 1.00 0.00 H new ATOM 0 HG2 ARG A 48 57.086 -5.776 3.675 1.00 0.00 H new ATOM 0 HG3 ARG A 48 55.413 -5.477 4.105 1.00 0.00 H new ATOM 0 HD2 ARG A 48 55.040 -4.640 1.687 1.00 0.00 H new ATOM 0 HD3 ARG A 48 56.653 -5.211 1.311 1.00 0.00 H new ATOM 0 HE ARG A 48 55.883 -7.529 2.220 1.00 0.00 H new ATOM 0 HH11 ARG A 48 54.623 -6.692 -0.473 1.00 0.00 H new ATOM 0 HH12 ARG A 48 52.929 -7.104 -0.188 1.00 0.00 H new ATOM 0 HH21 ARG A 48 53.312 -7.328 3.280 1.00 0.00 H new ATOM 0 HH22 ARG A 48 52.192 -7.462 1.920 1.00 0.00 H new ATOM 769 N LEU A 49 59.892 -2.765 2.973 1.00 0.00 N ATOM 770 CA LEU A 49 60.673 -1.744 2.219 1.00 0.00 C ATOM 771 C LEU A 49 60.486 -1.971 0.720 1.00 0.00 C ATOM 772 O LEU A 49 60.939 -2.955 0.172 1.00 0.00 O ATOM 773 CB LEU A 49 62.129 -1.973 2.624 1.00 0.00 C ATOM 774 CG LEU A 49 62.266 -1.818 4.139 1.00 0.00 C ATOM 775 CD1 LEU A 49 62.959 -3.053 4.714 1.00 0.00 C ATOM 776 CD2 LEU A 49 63.102 -0.573 4.450 1.00 0.00 C ATOM 0 H LEU A 49 60.337 -3.679 3.054 1.00 0.00 H new ATOM 0 HA LEU A 49 60.356 -0.724 2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 49 62.450 -2.969 2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 49 62.776 -1.259 2.114 1.00 0.00 H new ATOM 0 HG LEU A 49 61.278 -1.713 4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 49 63.058 -2.945 5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 49 62.366 -3.940 4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 49 63.948 -3.156 4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 49 63.200 -0.461 5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.091 -0.678 4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 49 62.610 0.308 4.037 1.00 0.00 H new ATOM 788 N CYS A 50 59.810 -1.078 0.053 1.00 0.00 N ATOM 789 CA CYS A 50 59.584 -1.267 -1.409 1.00 0.00 C ATOM 790 C CYS A 50 60.625 -0.496 -2.223 1.00 0.00 C ATOM 791 O CYS A 50 61.360 0.321 -1.704 1.00 0.00 O ATOM 792 CB CYS A 50 58.181 -0.717 -1.668 1.00 0.00 C ATOM 793 SG CYS A 50 58.112 1.022 -1.174 1.00 0.00 S ATOM 0 H CYS A 50 59.406 -0.231 0.452 1.00 0.00 H new ATOM 0 HA CYS A 50 59.674 -2.313 -1.703 1.00 0.00 H new ATOM 0 HB2 CYS A 50 57.930 -0.816 -2.724 1.00 0.00 H new ATOM 0 HB3 CYS A 50 57.444 -1.294 -1.109 1.00 0.00 H new ATOM 0 HG CYS A 50 58.636 1.759 -2.108 1.00 0.00 H new ATOM 799 N LEU A 51 60.687 -0.756 -3.499 1.00 0.00 N ATOM 800 CA LEU A 51 61.671 -0.056 -4.369 1.00 0.00 C ATOM 801 C LEU A 51 60.996 1.108 -5.099 1.00 0.00 C ATOM 802 O LEU A 51 60.096 0.916 -5.894 1.00 0.00 O ATOM 803 CB LEU A 51 62.121 -1.118 -5.366 1.00 0.00 C ATOM 804 CG LEU A 51 63.620 -1.358 -5.215 1.00 0.00 C ATOM 805 CD1 LEU A 51 63.869 -2.812 -4.814 1.00 0.00 C ATOM 806 CD2 LEU A 51 64.307 -1.073 -6.548 1.00 0.00 C ATOM 0 H LEU A 51 60.092 -1.430 -3.980 1.00 0.00 H new ATOM 0 HA LEU A 51 62.504 0.364 -3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 51 61.575 -2.046 -5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 51 61.894 -0.796 -6.383 1.00 0.00 H new ATOM 0 HG LEU A 51 64.021 -0.699 -4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 51 64.940 -2.981 -4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 51 63.372 -3.018 -3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 51 63.472 -3.475 -5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 51 65.379 -1.242 -6.448 1.00 0.00 H new ATOM 0 HD22 LEU A 51 63.905 -1.736 -7.314 1.00 0.00 H new ATOM 0 HD23 LEU A 51 64.128 -0.037 -6.835 1.00 0.00 H new ATOM 818 N TYR A 52 61.423 2.312 -4.836 1.00 0.00 N ATOM 819 CA TYR A 52 60.806 3.487 -5.517 1.00 0.00 C ATOM 820 C TYR A 52 61.029 3.394 -7.029 1.00 0.00 C ATOM 821 O TYR A 52 60.404 4.090 -7.804 1.00 0.00 O ATOM 822 CB TYR A 52 61.533 4.702 -4.940 1.00 0.00 C ATOM 823 CG TYR A 52 60.679 5.934 -5.115 1.00 0.00 C ATOM 824 CD1 TYR A 52 59.714 6.261 -4.156 1.00 0.00 C ATOM 825 CD2 TYR A 52 60.853 6.754 -6.238 1.00 0.00 C ATOM 826 CE1 TYR A 52 58.924 7.405 -4.316 1.00 0.00 C ATOM 827 CE2 TYR A 52 60.063 7.898 -6.399 1.00 0.00 C ATOM 828 CZ TYR A 52 59.098 8.224 -5.438 1.00 0.00 C ATOM 829 OH TYR A 52 58.318 9.352 -5.598 1.00 0.00 O ATOM 0 H TYR A 52 62.172 2.534 -4.180 1.00 0.00 H new ATOM 0 HA TYR A 52 59.729 3.543 -5.357 1.00 0.00 H new ATOM 0 HB2 TYR A 52 61.746 4.542 -3.883 1.00 0.00 H new ATOM 0 HB3 TYR A 52 62.491 4.837 -5.442 1.00 0.00 H new ATOM 0 HD1 TYR A 52 59.579 5.629 -3.291 1.00 0.00 H new ATOM 0 HD2 TYR A 52 61.597 6.503 -6.980 1.00 0.00 H new ATOM 0 HE1 TYR A 52 58.180 7.656 -3.574 1.00 0.00 H new ATOM 0 HE2 TYR A 52 60.198 8.530 -7.265 1.00 0.00 H new ATOM 0 HH TYR A 52 58.568 9.808 -6.429 1.00 0.00 H new ATOM 839 N GLU A 53 61.918 2.537 -7.454 1.00 0.00 N ATOM 840 CA GLU A 53 62.183 2.400 -8.915 1.00 0.00 C ATOM 841 C GLU A 53 60.875 2.154 -9.674 1.00 0.00 C ATOM 842 O GLU A 53 60.529 2.884 -10.581 1.00 0.00 O ATOM 843 CB GLU A 53 63.108 1.190 -9.039 1.00 0.00 C ATOM 844 CG GLU A 53 63.692 1.137 -10.452 1.00 0.00 C ATOM 845 CD GLU A 53 63.198 -0.126 -11.162 1.00 0.00 C ATOM 846 OE1 GLU A 53 63.727 -1.187 -10.874 1.00 0.00 O ATOM 847 OE2 GLU A 53 62.302 -0.008 -11.980 1.00 0.00 O ATOM 0 H GLU A 53 62.472 1.926 -6.853 1.00 0.00 H new ATOM 0 HA GLU A 53 62.629 3.301 -9.337 1.00 0.00 H new ATOM 0 HB2 GLU A 53 63.911 1.256 -8.305 1.00 0.00 H new ATOM 0 HB3 GLU A 53 62.556 0.274 -8.827 1.00 0.00 H new ATOM 0 HG2 GLU A 53 63.394 2.023 -11.013 1.00 0.00 H new ATOM 0 HG3 GLU A 53 64.781 1.139 -10.407 1.00 0.00 H new ATOM 854 N ASP A 54 60.149 1.131 -9.315 1.00 0.00 N ATOM 855 CA ASP A 54 58.868 0.845 -10.024 1.00 0.00 C ATOM 856 C ASP A 54 57.840 0.255 -9.056 1.00 0.00 C ATOM 857 O ASP A 54 57.138 -0.682 -9.376 1.00 0.00 O ATOM 858 CB ASP A 54 59.234 -0.174 -11.104 1.00 0.00 C ATOM 859 CG ASP A 54 58.020 -0.428 -11.998 1.00 0.00 C ATOM 860 OD1 ASP A 54 57.104 0.378 -11.964 1.00 0.00 O ATOM 861 OD2 ASP A 54 58.025 -1.424 -12.702 1.00 0.00 O ATOM 0 H ASP A 54 60.386 0.482 -8.564 1.00 0.00 H new ATOM 0 HA ASP A 54 58.421 1.746 -10.445 1.00 0.00 H new ATOM 0 HB2 ASP A 54 60.067 0.196 -11.701 1.00 0.00 H new ATOM 0 HB3 ASP A 54 59.561 -1.106 -10.644 1.00 0.00 H new ATOM 866 N GLY A 55 57.743 0.801 -7.875 1.00 0.00 N ATOM 867 CA GLY A 55 56.757 0.274 -6.891 1.00 0.00 C ATOM 868 C GLY A 55 57.050 -1.198 -6.600 1.00 0.00 C ATOM 869 O GLY A 55 56.153 -1.983 -6.360 1.00 0.00 O ATOM 0 H GLY A 55 58.304 1.589 -7.549 1.00 0.00 H new ATOM 0 HA2 GLY A 55 56.805 0.853 -5.969 1.00 0.00 H new ATOM 0 HA3 GLY A 55 55.746 0.382 -7.283 1.00 0.00 H new ATOM 873 N THR A 56 58.298 -1.582 -6.609 1.00 0.00 N ATOM 874 CA THR A 56 58.636 -3.006 -6.322 1.00 0.00 C ATOM 875 C THR A 56 58.535 -3.265 -4.816 1.00 0.00 C ATOM 876 O THR A 56 58.496 -2.347 -4.025 1.00 0.00 O ATOM 877 CB THR A 56 60.076 -3.190 -6.810 1.00 0.00 C ATOM 878 OG1 THR A 56 60.535 -1.986 -7.411 1.00 0.00 O ATOM 879 CG2 THR A 56 60.127 -4.323 -7.836 1.00 0.00 C ATOM 0 H THR A 56 59.095 -0.975 -6.802 1.00 0.00 H new ATOM 0 HA THR A 56 57.958 -3.702 -6.816 1.00 0.00 H new ATOM 0 HB THR A 56 60.715 -3.437 -5.962 1.00 0.00 H new ATOM 0 HG1 THR A 56 61.398 -2.146 -7.847 1.00 0.00 H new ATOM 0 HG21 THR A 56 61.152 -4.454 -8.183 1.00 0.00 H new ATOM 0 HG22 THR A 56 59.779 -5.247 -7.375 1.00 0.00 H new ATOM 0 HG23 THR A 56 59.486 -4.077 -8.682 1.00 0.00 H new ATOM 887 N GLU A 57 58.486 -4.503 -4.410 1.00 0.00 N ATOM 888 CA GLU A 57 58.385 -4.796 -2.950 1.00 0.00 C ATOM 889 C GLU A 57 59.622 -5.560 -2.477 1.00 0.00 C ATOM 890 O GLU A 57 60.041 -6.523 -3.088 1.00 0.00 O ATOM 891 CB GLU A 57 57.125 -5.649 -2.795 1.00 0.00 C ATOM 892 CG GLU A 57 57.322 -6.998 -3.493 1.00 0.00 C ATOM 893 CD GLU A 57 55.960 -7.652 -3.730 1.00 0.00 C ATOM 894 OE1 GLU A 57 54.987 -6.925 -3.845 1.00 0.00 O ATOM 895 OE2 GLU A 57 55.913 -8.871 -3.792 1.00 0.00 O ATOM 0 H GLU A 57 58.511 -5.320 -5.020 1.00 0.00 H new ATOM 0 HA GLU A 57 58.329 -3.887 -2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 57 56.908 -5.804 -1.738 1.00 0.00 H new ATOM 0 HB3 GLU A 57 56.268 -5.129 -3.223 1.00 0.00 H new ATOM 0 HG2 GLU A 57 57.840 -6.857 -4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 57 57.948 -7.648 -2.882 1.00 0.00 H new ATOM 902 N VAL A 58 60.214 -5.132 -1.396 1.00 0.00 N ATOM 903 CA VAL A 58 61.431 -5.825 -0.887 1.00 0.00 C ATOM 904 C VAL A 58 61.534 -5.679 0.635 1.00 0.00 C ATOM 905 O VAL A 58 60.736 -5.007 1.260 1.00 0.00 O ATOM 906 CB VAL A 58 62.594 -5.113 -1.575 1.00 0.00 C ATOM 907 CG1 VAL A 58 63.903 -5.841 -1.261 1.00 0.00 C ATOM 908 CG2 VAL A 58 62.363 -5.110 -3.088 1.00 0.00 C ATOM 0 H VAL A 58 59.907 -4.332 -0.843 1.00 0.00 H new ATOM 0 HA VAL A 58 61.419 -6.895 -1.097 1.00 0.00 H new ATOM 0 HB VAL A 58 62.656 -4.087 -1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 58 64.731 -5.330 -1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 58 64.068 -5.844 -0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 58 63.844 -6.868 -1.622 1.00 0.00 H new ATOM 0 HG21 VAL A 58 63.192 -4.602 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 58 62.300 -6.137 -3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 58 61.433 -4.589 -3.313 1.00 0.00 H new ATOM 918 N THR A 59 62.512 -6.300 1.236 1.00 0.00 N ATOM 919 CA THR A 59 62.666 -6.195 2.717 1.00 0.00 C ATOM 920 C THR A 59 64.112 -5.835 3.076 1.00 0.00 C ATOM 921 O THR A 59 65.005 -5.929 2.259 1.00 0.00 O ATOM 922 CB THR A 59 62.309 -7.582 3.253 1.00 0.00 C ATOM 923 OG1 THR A 59 63.001 -8.569 2.500 1.00 0.00 O ATOM 924 CG2 THR A 59 60.802 -7.806 3.130 1.00 0.00 C ATOM 0 H THR A 59 63.211 -6.876 0.767 1.00 0.00 H new ATOM 0 HA THR A 59 62.031 -5.418 3.143 1.00 0.00 H new ATOM 0 HB THR A 59 62.599 -7.654 4.301 1.00 0.00 H new ATOM 0 HG1 THR A 59 62.354 -9.169 2.074 1.00 0.00 H new ATOM 0 HG21 THR A 59 60.549 -8.795 3.512 1.00 0.00 H new ATOM 0 HG22 THR A 59 60.273 -7.047 3.707 1.00 0.00 H new ATOM 0 HG23 THR A 59 60.508 -7.736 2.083 1.00 0.00 H new ATOM 932 N ASP A 60 64.346 -5.417 4.290 1.00 0.00 N ATOM 933 CA ASP A 60 65.729 -5.046 4.700 1.00 0.00 C ATOM 934 C ASP A 60 66.610 -6.294 4.816 1.00 0.00 C ATOM 935 O ASP A 60 67.816 -6.204 4.931 1.00 0.00 O ATOM 936 CB ASP A 60 65.572 -4.374 6.068 1.00 0.00 C ATOM 937 CG ASP A 60 64.898 -5.344 7.040 1.00 0.00 C ATOM 938 OD1 ASP A 60 63.753 -5.693 6.800 1.00 0.00 O ATOM 939 OD2 ASP A 60 65.537 -5.722 8.008 1.00 0.00 O ATOM 0 H ASP A 60 63.637 -5.316 5.017 1.00 0.00 H new ATOM 0 HA ASP A 60 66.207 -4.390 3.973 1.00 0.00 H new ATOM 0 HB2 ASP A 60 66.547 -4.076 6.453 1.00 0.00 H new ATOM 0 HB3 ASP A 60 64.977 -3.466 5.973 1.00 0.00 H new ATOM 944 N ASP A 61 66.021 -7.459 4.790 1.00 0.00 N ATOM 945 CA ASP A 61 66.834 -8.707 4.904 1.00 0.00 C ATOM 946 C ASP A 61 66.906 -9.426 3.554 1.00 0.00 C ATOM 947 O ASP A 61 67.558 -10.443 3.418 1.00 0.00 O ATOM 948 CB ASP A 61 66.095 -9.568 5.929 1.00 0.00 C ATOM 949 CG ASP A 61 65.727 -8.715 7.143 1.00 0.00 C ATOM 950 OD1 ASP A 61 66.634 -8.239 7.806 1.00 0.00 O ATOM 951 OD2 ASP A 61 64.544 -8.552 7.391 1.00 0.00 O ATOM 0 H ASP A 61 65.016 -7.602 4.695 1.00 0.00 H new ATOM 0 HA ASP A 61 67.861 -8.500 5.205 1.00 0.00 H new ATOM 0 HB2 ASP A 61 65.195 -9.991 5.483 1.00 0.00 H new ATOM 0 HB3 ASP A 61 66.722 -10.405 6.236 1.00 0.00 H new ATOM 956 N CYS A 62 66.245 -8.911 2.555 1.00 0.00 N ATOM 957 CA CYS A 62 66.281 -9.575 1.220 1.00 0.00 C ATOM 958 C CYS A 62 67.220 -8.822 0.275 1.00 0.00 C ATOM 959 O CYS A 62 67.945 -9.416 -0.498 1.00 0.00 O ATOM 960 CB CYS A 62 64.843 -9.510 0.706 1.00 0.00 C ATOM 961 SG CYS A 62 64.753 -10.268 -0.935 1.00 0.00 S ATOM 0 H CYS A 62 65.683 -8.061 2.604 1.00 0.00 H new ATOM 0 HA CYS A 62 66.648 -10.599 1.281 1.00 0.00 H new ATOM 0 HB2 CYS A 62 64.176 -10.028 1.395 1.00 0.00 H new ATOM 0 HB3 CYS A 62 64.509 -8.473 0.658 1.00 0.00 H new ATOM 0 HG CYS A 62 63.530 -10.214 -1.371 1.00 0.00 H new ATOM 967 N PHE A 63 67.206 -7.518 0.328 1.00 0.00 N ATOM 968 CA PHE A 63 68.092 -6.718 -0.569 1.00 0.00 C ATOM 969 C PHE A 63 69.475 -7.370 -0.682 1.00 0.00 C ATOM 970 O PHE A 63 70.307 -7.218 0.191 1.00 0.00 O ATOM 971 CB PHE A 63 68.195 -5.349 0.103 1.00 0.00 C ATOM 972 CG PHE A 63 66.971 -4.533 -0.232 1.00 0.00 C ATOM 973 CD1 PHE A 63 66.602 -4.340 -1.569 1.00 0.00 C ATOM 974 CD2 PHE A 63 66.199 -3.972 0.794 1.00 0.00 C ATOM 975 CE1 PHE A 63 65.465 -3.587 -1.880 1.00 0.00 C ATOM 976 CE2 PHE A 63 65.062 -3.219 0.483 1.00 0.00 C ATOM 977 CZ PHE A 63 64.695 -3.026 -0.855 1.00 0.00 C ATOM 0 H PHE A 63 66.618 -6.969 0.955 1.00 0.00 H new ATOM 0 HA PHE A 63 67.698 -6.649 -1.583 1.00 0.00 H new ATOM 0 HB2 PHE A 63 68.282 -5.467 1.183 1.00 0.00 H new ATOM 0 HB3 PHE A 63 69.094 -4.833 -0.235 1.00 0.00 H new ATOM 0 HD1 PHE A 63 67.196 -4.773 -2.361 1.00 0.00 H new ATOM 0 HD2 PHE A 63 66.482 -4.121 1.826 1.00 0.00 H new ATOM 0 HE1 PHE A 63 65.181 -3.439 -2.911 1.00 0.00 H new ATOM 0 HE2 PHE A 63 64.467 -2.787 1.274 1.00 0.00 H new ATOM 0 HZ PHE A 63 63.818 -2.444 -1.096 1.00 0.00 H new ATOM 987 N PRO A 64 69.671 -8.076 -1.764 1.00 0.00 N ATOM 988 CA PRO A 64 70.960 -8.759 -2.006 1.00 0.00 C ATOM 989 C PRO A 64 71.987 -7.778 -2.585 1.00 0.00 C ATOM 990 O PRO A 64 72.844 -7.275 -1.885 1.00 0.00 O ATOM 991 CB PRO A 64 70.603 -9.838 -3.023 1.00 0.00 C ATOM 992 CG PRO A 64 69.378 -9.339 -3.731 1.00 0.00 C ATOM 993 CD PRO A 64 68.716 -8.301 -2.853 1.00 0.00 C ATOM 0 HA PRO A 64 71.409 -9.165 -1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 64 71.421 -10.001 -3.724 1.00 0.00 H new ATOM 0 HB3 PRO A 64 70.410 -10.791 -2.531 1.00 0.00 H new ATOM 0 HG2 PRO A 64 69.646 -8.907 -4.695 1.00 0.00 H new ATOM 0 HG3 PRO A 64 68.692 -10.162 -3.930 1.00 0.00 H new ATOM 0 HD2 PRO A 64 68.520 -7.382 -3.405 1.00 0.00 H new ATOM 0 HD3 PRO A 64 67.758 -8.656 -2.473 1.00 0.00 H new ATOM 1001 N GLY A 65 71.904 -7.502 -3.857 1.00 0.00 N ATOM 1002 CA GLY A 65 72.870 -6.555 -4.482 1.00 0.00 C ATOM 1003 C GLY A 65 72.104 -5.502 -5.284 1.00 0.00 C ATOM 1004 O GLY A 65 72.127 -5.495 -6.498 1.00 0.00 O ATOM 0 H GLY A 65 71.208 -7.892 -4.492 1.00 0.00 H new ATOM 0 HA2 GLY A 65 73.474 -6.074 -3.713 1.00 0.00 H new ATOM 0 HA3 GLY A 65 73.556 -7.096 -5.134 1.00 0.00 H new ATOM 1008 N LEU A 66 71.424 -4.613 -4.613 1.00 0.00 N ATOM 1009 CA LEU A 66 70.653 -3.560 -5.336 1.00 0.00 C ATOM 1010 C LEU A 66 71.547 -2.842 -6.347 1.00 0.00 C ATOM 1011 O LEU A 66 72.757 -2.892 -6.255 1.00 0.00 O ATOM 1012 CB LEU A 66 70.201 -2.582 -4.252 1.00 0.00 C ATOM 1013 CG LEU A 66 68.889 -3.065 -3.634 1.00 0.00 C ATOM 1014 CD1 LEU A 66 68.799 -2.583 -2.186 1.00 0.00 C ATOM 1015 CD2 LEU A 66 67.712 -2.501 -4.432 1.00 0.00 C ATOM 0 H LEU A 66 71.368 -4.570 -3.595 1.00 0.00 H new ATOM 0 HA LEU A 66 69.814 -3.980 -5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 66 70.968 -2.499 -3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 66 70.069 -1.588 -4.679 1.00 0.00 H new ATOM 0 HG LEU A 66 68.856 -4.154 -3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 66 67.863 -2.927 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 66 69.638 -2.984 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 66 68.832 -1.494 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 66 66.776 -2.845 -3.992 1.00 0.00 H new ATOM 0 HD22 LEU A 66 67.745 -1.412 -4.409 1.00 0.00 H new ATOM 0 HD23 LEU A 66 67.775 -2.844 -5.465 1.00 0.00 H new ATOM 1027 N PRO A 67 70.909 -2.185 -7.276 1.00 0.00 N ATOM 1028 CA PRO A 67 71.644 -1.430 -8.317 1.00 0.00 C ATOM 1029 C PRO A 67 72.246 -0.157 -7.714 1.00 0.00 C ATOM 1030 O PRO A 67 72.079 0.124 -6.544 1.00 0.00 O ATOM 1031 CB PRO A 67 70.565 -1.093 -9.342 1.00 0.00 C ATOM 1032 CG PRO A 67 69.280 -1.114 -8.577 1.00 0.00 C ATOM 1033 CD PRO A 67 69.456 -2.088 -7.441 1.00 0.00 C ATOM 0 HA PRO A 67 72.475 -1.986 -8.752 1.00 0.00 H new ATOM 0 HB2 PRO A 67 70.740 -0.116 -9.792 1.00 0.00 H new ATOM 0 HB3 PRO A 67 70.552 -1.820 -10.154 1.00 0.00 H new ATOM 0 HG2 PRO A 67 69.041 -0.120 -8.199 1.00 0.00 H new ATOM 0 HG3 PRO A 67 68.454 -1.418 -9.220 1.00 0.00 H new ATOM 0 HD2 PRO A 67 68.974 -1.730 -6.531 1.00 0.00 H new ATOM 0 HD3 PRO A 67 69.016 -3.057 -7.675 1.00 0.00 H new ATOM 1041 N ASN A 68 72.948 0.612 -8.499 1.00 0.00 N ATOM 1042 CA ASN A 68 73.559 1.861 -7.961 1.00 0.00 C ATOM 1043 C ASN A 68 72.472 2.790 -7.420 1.00 0.00 C ATOM 1044 O ASN A 68 71.349 2.787 -7.884 1.00 0.00 O ATOM 1045 CB ASN A 68 74.274 2.500 -9.153 1.00 0.00 C ATOM 1046 CG ASN A 68 75.173 3.635 -8.661 1.00 0.00 C ATOM 1047 OD1 ASN A 68 74.716 4.542 -7.992 1.00 0.00 O ATOM 1048 ND2 ASN A 68 76.442 3.625 -8.967 1.00 0.00 N ATOM 0 H ASN A 68 73.125 0.431 -9.487 1.00 0.00 H new ATOM 0 HA ASN A 68 74.244 1.664 -7.137 1.00 0.00 H new ATOM 0 HB2 ASN A 68 74.869 1.752 -9.677 1.00 0.00 H new ATOM 0 HB3 ASN A 68 73.544 2.883 -9.866 1.00 0.00 H new ATOM 0 HD21 ASN A 68 77.050 4.378 -8.645 1.00 0.00 H new ATOM 0 HD22 ASN A 68 76.825 2.864 -9.528 1.00 0.00 H new ATOM 1055 N ASP A 69 72.799 3.580 -6.435 1.00 0.00 N ATOM 1056 CA ASP A 69 71.786 4.504 -5.855 1.00 0.00 C ATOM 1057 C ASP A 69 70.465 3.764 -5.661 1.00 0.00 C ATOM 1058 O ASP A 69 69.399 4.300 -5.887 1.00 0.00 O ATOM 1059 CB ASP A 69 71.632 5.627 -6.880 1.00 0.00 C ATOM 1060 CG ASP A 69 71.783 6.980 -6.182 1.00 0.00 C ATOM 1061 OD1 ASP A 69 71.816 6.996 -4.963 1.00 0.00 O ATOM 1062 OD2 ASP A 69 71.863 7.979 -6.879 1.00 0.00 O ATOM 0 H ASP A 69 73.724 3.625 -6.007 1.00 0.00 H new ATOM 0 HA ASP A 69 72.084 4.891 -4.881 1.00 0.00 H new ATOM 0 HB2 ASP A 69 72.383 5.524 -7.663 1.00 0.00 H new ATOM 0 HB3 ASP A 69 70.657 5.562 -7.363 1.00 0.00 H new ATOM 1067 N ALA A 70 70.534 2.529 -5.244 1.00 0.00 N ATOM 1068 CA ALA A 70 69.285 1.739 -5.032 1.00 0.00 C ATOM 1069 C ALA A 70 68.207 2.610 -4.379 1.00 0.00 C ATOM 1070 O ALA A 70 68.305 2.973 -3.224 1.00 0.00 O ATOM 1071 CB ALA A 70 69.687 0.596 -4.098 1.00 0.00 C ATOM 0 H ALA A 70 71.401 2.032 -5.041 1.00 0.00 H new ATOM 0 HA ALA A 70 68.870 1.371 -5.970 1.00 0.00 H new ATOM 0 HB1 ALA A 70 68.819 -0.031 -3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 70 70.465 -0.004 -4.571 1.00 0.00 H new ATOM 0 HB3 ALA A 70 70.065 1.007 -3.162 1.00 0.00 H new ATOM 1077 N GLU A 71 67.182 2.949 -5.112 1.00 0.00 N ATOM 1078 CA GLU A 71 66.101 3.798 -4.534 1.00 0.00 C ATOM 1079 C GLU A 71 65.171 2.949 -3.662 1.00 0.00 C ATOM 1080 O GLU A 71 64.247 2.327 -4.147 1.00 0.00 O ATOM 1081 CB GLU A 71 65.347 4.356 -5.741 1.00 0.00 C ATOM 1082 CG GLU A 71 65.232 5.876 -5.615 1.00 0.00 C ATOM 1083 CD GLU A 71 64.336 6.224 -4.426 1.00 0.00 C ATOM 1084 OE1 GLU A 71 63.817 5.306 -3.811 1.00 0.00 O ATOM 1085 OE2 GLU A 71 64.183 7.402 -4.149 1.00 0.00 O ATOM 0 H GLU A 71 67.046 2.675 -6.085 1.00 0.00 H new ATOM 0 HA GLU A 71 66.494 4.591 -3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 71 65.870 4.096 -6.661 1.00 0.00 H new ATOM 0 HB3 GLU A 71 64.354 3.910 -5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 71 66.220 6.316 -5.480 1.00 0.00 H new ATOM 0 HG3 GLU A 71 64.818 6.297 -6.531 1.00 0.00 H new ATOM 1092 N LEU A 72 65.408 2.919 -2.379 1.00 0.00 N ATOM 1093 CA LEU A 72 64.539 2.110 -1.476 1.00 0.00 C ATOM 1094 C LEU A 72 63.585 3.028 -0.705 1.00 0.00 C ATOM 1095 O LEU A 72 63.879 4.183 -0.470 1.00 0.00 O ATOM 1096 CB LEU A 72 65.507 1.420 -0.514 1.00 0.00 C ATOM 1097 CG LEU A 72 65.667 -0.047 -0.913 1.00 0.00 C ATOM 1098 CD1 LEU A 72 65.993 -0.141 -2.405 1.00 0.00 C ATOM 1099 CD2 LEU A 72 66.808 -0.670 -0.104 1.00 0.00 C ATOM 0 H LEU A 72 66.166 3.420 -1.916 1.00 0.00 H new ATOM 0 HA LEU A 72 63.924 1.394 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 72 66.475 1.921 -0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 72 65.133 1.491 0.507 1.00 0.00 H new ATOM 0 HG LEU A 72 64.739 -0.581 -0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 72 66.107 -1.188 -2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 72 65.184 0.305 -2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 72 66.921 0.393 -2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 72 66.925 -1.716 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.734 -0.133 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.578 -0.604 0.959 1.00 0.00 H new ATOM 1111 N LEU A 73 62.446 2.528 -0.309 1.00 0.00 N ATOM 1112 CA LEU A 73 61.485 3.382 0.447 1.00 0.00 C ATOM 1113 C LEU A 73 60.969 2.641 1.683 1.00 0.00 C ATOM 1114 O LEU A 73 60.441 1.548 1.593 1.00 0.00 O ATOM 1115 CB LEU A 73 60.341 3.661 -0.527 1.00 0.00 C ATOM 1116 CG LEU A 73 59.256 4.469 0.188 1.00 0.00 C ATOM 1117 CD1 LEU A 73 59.056 5.804 -0.530 1.00 0.00 C ATOM 1118 CD2 LEU A 73 57.945 3.680 0.174 1.00 0.00 C ATOM 0 H LEU A 73 62.140 1.569 -0.475 1.00 0.00 H new ATOM 0 HA LEU A 73 61.950 4.302 0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 73 60.710 4.212 -1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 73 59.927 2.724 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 73 59.559 4.655 1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 73 58.283 6.379 -0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 73 59.990 6.365 -0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 73 58.752 5.621 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 73 57.170 4.253 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 73 57.642 3.496 -0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 73 58.088 2.728 0.686 1.00 0.00 H new ATOM 1130 N LEU A 74 61.118 3.235 2.837 1.00 0.00 N ATOM 1131 CA LEU A 74 60.642 2.582 4.090 1.00 0.00 C ATOM 1132 C LEU A 74 59.112 2.616 4.155 1.00 0.00 C ATOM 1133 O LEU A 74 58.503 3.667 4.117 1.00 0.00 O ATOM 1134 CB LEU A 74 61.246 3.417 5.222 1.00 0.00 C ATOM 1135 CG LEU A 74 61.316 2.579 6.499 1.00 0.00 C ATOM 1136 CD1 LEU A 74 62.408 1.518 6.358 1.00 0.00 C ATOM 1137 CD2 LEU A 74 61.640 3.487 7.688 1.00 0.00 C ATOM 0 H LEU A 74 61.551 4.149 2.966 1.00 0.00 H new ATOM 0 HA LEU A 74 60.939 1.535 4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 74 62.243 3.757 4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 74 60.641 4.308 5.393 1.00 0.00 H new ATOM 0 HG LEU A 74 60.355 2.091 6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 74 62.456 0.922 7.269 1.00 0.00 H new ATOM 0 HD12 LEU A 74 62.179 0.870 5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 74 63.369 2.005 6.192 1.00 0.00 H new ATOM 0 HD21 LEU A 74 61.690 2.890 8.599 1.00 0.00 H new ATOM 0 HD22 LEU A 74 62.600 3.976 7.521 1.00 0.00 H new ATOM 0 HD23 LEU A 74 60.861 4.242 7.792 1.00 0.00 H new ATOM 1149 N LEU A 75 58.488 1.475 4.252 1.00 0.00 N ATOM 1150 CA LEU A 75 57.000 1.440 4.320 1.00 0.00 C ATOM 1151 C LEU A 75 56.561 0.404 5.358 1.00 0.00 C ATOM 1152 O LEU A 75 57.297 -0.502 5.685 1.00 0.00 O ATOM 1153 CB LEU A 75 56.558 1.033 2.909 1.00 0.00 C ATOM 1154 CG LEU A 75 55.158 0.415 2.950 1.00 0.00 C ATOM 1155 CD1 LEU A 75 54.383 0.823 1.697 1.00 0.00 C ATOM 1156 CD2 LEU A 75 55.280 -1.110 2.998 1.00 0.00 C ATOM 0 H LEU A 75 58.945 0.564 4.287 1.00 0.00 H new ATOM 0 HA LEU A 75 56.561 2.392 4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 75 56.560 1.904 2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 75 57.267 0.318 2.490 1.00 0.00 H new ATOM 0 HG LEU A 75 54.629 0.769 3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 75 53.386 0.383 1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 75 54.299 1.909 1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 75 54.910 0.468 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 75 54.285 -1.554 3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 75 55.808 -1.461 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 75 55.834 -1.403 3.890 1.00 0.00 H new ATOM 1168 N THR A 76 55.374 0.530 5.882 1.00 0.00 N ATOM 1169 CA THR A 76 54.904 -0.457 6.896 1.00 0.00 C ATOM 1170 C THR A 76 53.461 -0.870 6.596 1.00 0.00 C ATOM 1171 O THR A 76 52.860 -0.410 5.647 1.00 0.00 O ATOM 1172 CB THR A 76 54.988 0.271 8.239 1.00 0.00 C ATOM 1173 OG1 THR A 76 53.889 1.161 8.365 1.00 0.00 O ATOM 1174 CG2 THR A 76 56.297 1.059 8.319 1.00 0.00 C ATOM 0 H THR A 76 54.711 1.270 5.654 1.00 0.00 H new ATOM 0 HA THR A 76 55.504 -1.367 6.894 1.00 0.00 H new ATOM 0 HB THR A 76 54.959 -0.460 9.047 1.00 0.00 H new ATOM 0 HG1 THR A 76 53.942 1.626 9.226 1.00 0.00 H new ATOM 0 HG21 THR A 76 56.353 1.576 9.277 1.00 0.00 H new ATOM 0 HG22 THR A 76 57.140 0.374 8.227 1.00 0.00 H new ATOM 0 HG23 THR A 76 56.332 1.789 7.510 1.00 0.00 H new ATOM 1182 N ALA A 77 52.903 -1.736 7.396 1.00 0.00 N ATOM 1183 CA ALA A 77 51.501 -2.177 7.150 1.00 0.00 C ATOM 1184 C ALA A 77 50.554 -0.974 7.167 1.00 0.00 C ATOM 1185 O ALA A 77 49.507 -0.988 6.552 1.00 0.00 O ATOM 1186 CB ALA A 77 51.177 -3.128 8.302 1.00 0.00 C ATOM 0 H ALA A 77 53.356 -2.157 8.208 1.00 0.00 H new ATOM 0 HA ALA A 77 51.386 -2.657 6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 77 50.157 -3.498 8.193 1.00 0.00 H new ATOM 0 HB2 ALA A 77 51.871 -3.968 8.286 1.00 0.00 H new ATOM 0 HB3 ALA A 77 51.271 -2.597 9.249 1.00 0.00 H new ATOM 1192 N GLY A 78 50.912 0.066 7.869 1.00 0.00 N ATOM 1193 CA GLY A 78 50.029 1.265 7.925 1.00 0.00 C ATOM 1194 C GLY A 78 50.372 2.213 6.774 1.00 0.00 C ATOM 1195 O GLY A 78 50.018 3.375 6.790 1.00 0.00 O ATOM 0 H GLY A 78 51.777 0.137 8.406 1.00 0.00 H new ATOM 0 HA2 GLY A 78 48.984 0.962 7.860 1.00 0.00 H new ATOM 0 HA3 GLY A 78 50.154 1.776 8.879 1.00 0.00 H new ATOM 1199 N GLU A 79 51.061 1.730 5.776 1.00 0.00 N ATOM 1200 CA GLU A 79 51.424 2.612 4.627 1.00 0.00 C ATOM 1201 C GLU A 79 51.461 1.808 3.324 1.00 0.00 C ATOM 1202 O GLU A 79 51.528 0.595 3.332 1.00 0.00 O ATOM 1203 CB GLU A 79 52.813 3.152 4.966 1.00 0.00 C ATOM 1204 CG GLU A 79 52.703 4.620 5.385 1.00 0.00 C ATOM 1205 CD GLU A 79 52.328 5.471 4.172 1.00 0.00 C ATOM 1206 OE1 GLU A 79 51.517 5.018 3.381 1.00 0.00 O ATOM 1207 OE2 GLU A 79 52.859 6.564 4.053 1.00 0.00 O ATOM 0 H GLU A 79 51.388 0.766 5.705 1.00 0.00 H new ATOM 0 HA GLU A 79 50.699 3.413 4.479 1.00 0.00 H new ATOM 0 HB2 GLU A 79 53.256 2.566 5.771 1.00 0.00 H new ATOM 0 HB3 GLU A 79 53.472 3.058 4.103 1.00 0.00 H new ATOM 0 HG2 GLU A 79 51.951 4.731 6.166 1.00 0.00 H new ATOM 0 HG3 GLU A 79 53.650 4.962 5.803 1.00 0.00 H new ATOM 1214 N THR A 80 51.418 2.477 2.202 1.00 0.00 N ATOM 1215 CA THR A 80 51.451 1.754 0.897 1.00 0.00 C ATOM 1216 C THR A 80 52.010 2.667 -0.199 1.00 0.00 C ATOM 1217 O THR A 80 51.735 3.850 -0.234 1.00 0.00 O ATOM 1218 CB THR A 80 49.995 1.391 0.598 1.00 0.00 C ATOM 1219 OG1 THR A 80 49.161 1.843 1.656 1.00 0.00 O ATOM 1220 CG2 THR A 80 49.866 -0.126 0.454 1.00 0.00 C ATOM 0 H THR A 80 51.361 3.493 2.133 1.00 0.00 H new ATOM 0 HA THR A 80 52.089 0.871 0.935 1.00 0.00 H new ATOM 0 HB THR A 80 49.687 1.871 -0.331 1.00 0.00 H new ATOM 0 HG1 THR A 80 48.229 1.610 1.460 1.00 0.00 H new ATOM 0 HG21 THR A 80 48.829 -0.384 0.241 1.00 0.00 H new ATOM 0 HG22 THR A 80 50.501 -0.469 -0.363 1.00 0.00 H new ATOM 0 HG23 THR A 80 50.177 -0.607 1.381 1.00 0.00 H new ATOM 1228 N TRP A 81 52.795 2.128 -1.093 1.00 0.00 N ATOM 1229 CA TRP A 81 53.371 2.969 -2.185 1.00 0.00 C ATOM 1230 C TRP A 81 52.843 2.507 -3.546 1.00 0.00 C ATOM 1231 O TRP A 81 52.953 1.352 -3.906 1.00 0.00 O ATOM 1232 CB TRP A 81 54.884 2.754 -2.092 1.00 0.00 C ATOM 1233 CG TRP A 81 55.539 3.235 -3.349 1.00 0.00 C ATOM 1234 CD1 TRP A 81 56.581 2.627 -3.963 1.00 0.00 C ATOM 1235 CD2 TRP A 81 55.221 4.409 -4.152 1.00 0.00 C ATOM 1236 NE1 TRP A 81 56.920 3.350 -5.093 1.00 0.00 N ATOM 1237 CE2 TRP A 81 56.110 4.458 -5.253 1.00 0.00 C ATOM 1238 CE3 TRP A 81 54.255 5.426 -4.037 1.00 0.00 C ATOM 1239 CZ2 TRP A 81 56.044 5.478 -6.201 1.00 0.00 C ATOM 1240 CZ3 TRP A 81 54.187 6.454 -4.991 1.00 0.00 C ATOM 1241 CH2 TRP A 81 55.080 6.480 -6.070 1.00 0.00 C ATOM 0 H TRP A 81 53.063 1.144 -1.115 1.00 0.00 H new ATOM 0 HA TRP A 81 53.101 4.020 -2.083 1.00 0.00 H new ATOM 0 HB2 TRP A 81 55.285 3.291 -1.233 1.00 0.00 H new ATOM 0 HB3 TRP A 81 55.102 1.697 -1.938 1.00 0.00 H new ATOM 0 HD1 TRP A 81 57.069 1.724 -3.626 1.00 0.00 H new ATOM 0 HE1 TRP A 81 57.675 3.096 -5.730 1.00 0.00 H new ATOM 0 HE3 TRP A 81 53.561 5.416 -3.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 56.734 5.493 -7.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 53.442 7.229 -4.892 1.00 0.00 H new ATOM 0 HH2 TRP A 81 55.023 7.274 -6.800 1.00 0.00 H new ATOM 1252 N HIS A 82 52.272 3.402 -4.305 1.00 0.00 N ATOM 1253 CA HIS A 82 51.741 3.016 -5.643 1.00 0.00 C ATOM 1254 C HIS A 82 52.880 2.520 -6.539 1.00 0.00 C ATOM 1255 O HIS A 82 52.879 1.394 -6.995 1.00 0.00 O ATOM 1256 CB HIS A 82 51.128 4.297 -6.211 1.00 0.00 C ATOM 1257 CG HIS A 82 49.884 3.957 -6.987 1.00 0.00 C ATOM 1258 ND1 HIS A 82 48.833 3.249 -6.425 1.00 0.00 N ATOM 1259 CD2 HIS A 82 49.509 4.220 -8.281 1.00 0.00 C ATOM 1260 CE1 HIS A 82 47.886 3.110 -7.370 1.00 0.00 C ATOM 1261 NE2 HIS A 82 48.247 3.684 -8.521 1.00 0.00 N ATOM 0 H HIS A 82 52.150 4.384 -4.056 1.00 0.00 H new ATOM 0 HA HIS A 82 51.011 2.209 -5.582 1.00 0.00 H new ATOM 0 HB2 HIS A 82 50.888 4.987 -5.402 1.00 0.00 H new ATOM 0 HB3 HIS A 82 51.846 4.801 -6.858 1.00 0.00 H new ATOM 0 HD2 HIS A 82 50.103 4.761 -9.003 1.00 0.00 H new ATOM 0 HE1 HIS A 82 46.948 2.597 -7.217 1.00 0.00 H new ATOM 0 HE2 HIS A 82 47.713 3.721 -9.389 1.00 0.00 H new ATOM 1269 N GLY A 83 53.853 3.353 -6.793 1.00 0.00 N ATOM 1270 CA GLY A 83 54.991 2.927 -7.657 1.00 0.00 C ATOM 1271 C GLY A 83 55.242 3.983 -8.735 1.00 0.00 C ATOM 1272 O GLY A 83 54.323 4.584 -9.254 1.00 0.00 O ATOM 0 H GLY A 83 53.909 4.308 -6.440 1.00 0.00 H new ATOM 0 HA2 GLY A 83 55.888 2.790 -7.053 1.00 0.00 H new ATOM 0 HA3 GLY A 83 54.769 1.966 -8.120 1.00 0.00 H new ATOM 1276 N TYR A 84 56.480 4.210 -9.078 1.00 0.00 N ATOM 1277 CA TYR A 84 56.790 5.224 -10.126 1.00 0.00 C ATOM 1278 C TYR A 84 56.164 4.803 -11.458 1.00 0.00 C ATOM 1279 O TYR A 84 56.513 3.788 -12.025 1.00 0.00 O ATOM 1280 CB TYR A 84 58.316 5.235 -10.225 1.00 0.00 C ATOM 1281 CG TYR A 84 58.789 6.600 -10.668 1.00 0.00 C ATOM 1282 CD1 TYR A 84 58.369 7.746 -9.981 1.00 0.00 C ATOM 1283 CD2 TYR A 84 59.650 6.718 -11.765 1.00 0.00 C ATOM 1284 CE1 TYR A 84 58.810 9.010 -10.392 1.00 0.00 C ATOM 1285 CE2 TYR A 84 60.092 7.981 -12.175 1.00 0.00 C ATOM 1286 CZ TYR A 84 59.672 9.127 -11.489 1.00 0.00 C ATOM 1287 OH TYR A 84 60.108 10.373 -11.895 1.00 0.00 O ATOM 0 H TYR A 84 57.291 3.737 -8.678 1.00 0.00 H new ATOM 0 HA TYR A 84 56.394 6.210 -9.885 1.00 0.00 H new ATOM 0 HB2 TYR A 84 58.754 4.984 -9.259 1.00 0.00 H new ATOM 0 HB3 TYR A 84 58.649 4.477 -10.933 1.00 0.00 H new ATOM 0 HD1 TYR A 84 57.705 7.655 -9.134 1.00 0.00 H new ATOM 0 HD2 TYR A 84 59.973 5.834 -12.295 1.00 0.00 H new ATOM 0 HE1 TYR A 84 58.485 9.894 -9.863 1.00 0.00 H new ATOM 0 HE2 TYR A 84 60.757 8.072 -13.021 1.00 0.00 H new ATOM 0 HH TYR A 84 60.701 10.276 -12.670 1.00 0.00 H new ATOM 1297 N VAL A 85 55.235 5.572 -11.957 1.00 0.00 N ATOM 1298 CA VAL A 85 54.583 5.213 -13.246 1.00 0.00 C ATOM 1299 C VAL A 85 55.432 5.698 -14.424 1.00 0.00 C ATOM 1300 O VAL A 85 56.087 6.719 -14.351 1.00 0.00 O ATOM 1301 CB VAL A 85 53.241 5.941 -13.213 1.00 0.00 C ATOM 1302 CG1 VAL A 85 52.409 5.421 -12.039 1.00 0.00 C ATOM 1303 CG2 VAL A 85 53.481 7.442 -13.040 1.00 0.00 C ATOM 0 H VAL A 85 54.900 6.434 -11.527 1.00 0.00 H new ATOM 0 HA VAL A 85 54.465 4.136 -13.369 1.00 0.00 H new ATOM 0 HB VAL A 85 52.707 5.762 -14.146 1.00 0.00 H new ATOM 0 HG11 VAL A 85 51.451 5.940 -12.014 1.00 0.00 H new ATOM 0 HG12 VAL A 85 52.239 4.351 -12.159 1.00 0.00 H new ATOM 0 HG13 VAL A 85 52.943 5.601 -11.106 1.00 0.00 H new ATOM 0 HG21 VAL A 85 52.524 7.963 -13.016 1.00 0.00 H new ATOM 0 HG22 VAL A 85 54.014 7.620 -12.106 1.00 0.00 H new ATOM 0 HG23 VAL A 85 54.076 7.814 -13.874 1.00 0.00 H new ATOM 1313 N SER A 86 55.428 4.973 -15.509 1.00 0.00 N ATOM 1314 CA SER A 86 56.237 5.394 -16.689 1.00 0.00 C ATOM 1315 C SER A 86 55.323 5.662 -17.888 1.00 0.00 C ATOM 1316 O SER A 86 55.091 4.799 -18.711 1.00 0.00 O ATOM 1317 CB SER A 86 57.167 4.215 -16.972 1.00 0.00 C ATOM 1318 OG SER A 86 58.488 4.552 -16.568 1.00 0.00 O ATOM 0 H SER A 86 54.900 4.108 -15.630 1.00 0.00 H new ATOM 0 HA SER A 86 56.792 6.313 -16.504 1.00 0.00 H new ATOM 0 HB2 SER A 86 56.825 3.330 -16.436 1.00 0.00 H new ATOM 0 HB3 SER A 86 57.150 3.970 -18.034 1.00 0.00 H new ATOM 0 HG SER A 86 59.087 3.797 -16.746 1.00 0.00 H new ATOM 1324 N ASP A 87 54.803 6.855 -17.992 1.00 0.00 N ATOM 1325 CA ASP A 87 53.904 7.181 -19.135 1.00 0.00 C ATOM 1326 C ASP A 87 54.591 8.169 -20.081 1.00 0.00 C ATOM 1327 O ASP A 87 53.929 8.652 -20.985 1.00 0.00 O ATOM 1328 CB ASP A 87 52.671 7.822 -18.497 1.00 0.00 C ATOM 1329 CG ASP A 87 53.060 9.165 -17.875 1.00 0.00 C ATOM 1330 OD1 ASP A 87 53.653 9.152 -16.808 1.00 0.00 O ATOM 1331 OD2 ASP A 87 52.760 10.183 -18.476 1.00 0.00 O ATOM 1332 OXT ASP A 87 55.768 8.425 -19.886 1.00 0.00 O ATOM 0 H ASP A 87 54.962 7.618 -17.334 1.00 0.00 H new ATOM 0 HA ASP A 87 53.648 6.300 -19.724 1.00 0.00 H new ATOM 0 HB2 ASP A 87 51.894 7.968 -19.247 1.00 0.00 H new ATOM 0 HB3 ASP A 87 52.258 7.162 -17.734 1.00 0.00 H new TER 1337 ASP A 87