USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 969 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 69 SER OG : rot 180:sc= 0.208 USER MOD Set 1.2: A 147 SER OG : rot 75:sc= 0.195 USER MOD Set 2.1: A 27 THR OG1 : rot -86:sc= -5.31! USER MOD Set 2.2: A 28 SER OG : rot 30:sc= 0.995 USER MOD Single : A 12 HIS : no HE2:sc= -5.37! C(o=-5.4!,f=-5.4!) USER MOD Single : A 13 THR OG1 : rot -167:sc= -0.943! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 48:sc= 0.552 USER MOD Single : A 23 SER OG : rot 28:sc= 0.24 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -110:sc= -1.53 (180deg=-3.91!) USER MOD Single : A 45 GLN : amide:sc= -6.78! C(o=-6.8!,f=-8.6!) USER MOD Single : A 47 ASN :FLIP amide:sc= -14.5! C(o=-16!,f=-14!) USER MOD Single : A 55 TYR OH : rot 30:sc= -1.09 USER MOD Single : A 56 ASN : amide:sc= -0.534 X(o=-0.53,f=-0.14) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 111:sc= 0.113 USER MOD Single : A 71 THR OG1 : rot 16:sc= -6! USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.339 USER MOD Single : A 78 MET CE :methyl 180:sc= -0.0415 (180deg=-0.0415) USER MOD Single : A 93 THR OG1 : rot 122:sc= -0.112! USER MOD Single : A 97 GLN : amide:sc= -6.07! C(o=-6.1!,f=-9.1!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 81:sc= -0.629! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.077 USER MOD Single : A 111 TYR OH : rot -15:sc= -4.8! USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0599 USER MOD Single : A 115 SER OG : rot 39:sc= -3.11! USER MOD Single : A 116 ASN : amide:sc= -0.556 X(o=-0.56,f=-0.72) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.07 USER MOD Single : A 128 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.0023) USER MOD Single : A 132 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-2.7!) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 TYR OH : rot -175:sc= -8.4! USER MOD Single : A 144 SER OG : rot 180:sc= 0 USER MOD Single : A 145 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.49) USER MOD Single : A 149 THR OG1 : rot 124:sc= -0.17! USER MOD Single : A 150 THR OG1 : rot 77:sc= 0.36 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 7 -12.959 -9.124 -10.845 1.00 2.11 N ATOM 82 CA VAL A 7 -13.478 -7.732 -10.965 1.00 2.12 C ATOM 83 C VAL A 7 -12.302 -6.758 -11.065 1.00 2.11 C ATOM 84 O VAL A 7 -11.826 -6.241 -10.075 1.00 2.83 O ATOM 85 CB VAL A 7 -14.317 -7.393 -9.731 1.00 2.16 C ATOM 86 CG1 VAL A 7 -15.071 -6.084 -9.969 1.00 2.17 C ATOM 87 CG2 VAL A 7 -15.321 -8.519 -9.474 1.00 2.42 C ATOM 0 HA VAL A 7 -14.096 -7.649 -11.859 1.00 2.12 H new ATOM 0 HB VAL A 7 -13.663 -7.283 -8.866 1.00 2.16 H new ATOM 0 HG11 VAL A 7 -15.668 -5.843 -9.090 1.00 2.17 H new ATOM 0 HG12 VAL A 7 -14.357 -5.281 -10.154 1.00 2.17 H new ATOM 0 HG13 VAL A 7 -15.726 -6.193 -10.834 1.00 2.17 H new ATOM 0 HG21 VAL A 7 -15.920 -8.279 -8.595 1.00 2.42 H new ATOM 0 HG22 VAL A 7 -15.975 -8.628 -10.339 1.00 2.42 H new ATOM 0 HG23 VAL A 7 -14.785 -9.453 -9.304 1.00 2.42 H new ATOM 97 N GLU A 8 -11.830 -6.505 -12.255 1.00 1.96 N ATOM 98 CA GLU A 8 -10.686 -5.564 -12.417 1.00 2.32 C ATOM 99 C GLU A 8 -11.216 -4.142 -12.608 1.00 2.30 C ATOM 100 O GLU A 8 -11.635 -3.765 -13.684 1.00 2.59 O ATOM 101 CB GLU A 8 -9.862 -5.969 -13.642 1.00 3.06 C ATOM 102 CG GLU A 8 -8.438 -5.427 -13.503 1.00 3.55 C ATOM 103 CD GLU A 8 -7.486 -6.572 -13.153 1.00 4.20 C ATOM 104 OE1 GLU A 8 -7.363 -7.481 -13.958 1.00 4.42 O ATOM 105 OE2 GLU A 8 -6.898 -6.522 -12.087 1.00 4.75 O ATOM 0 H GLU A 8 -12.187 -6.909 -13.121 1.00 1.96 H new ATOM 0 HA GLU A 8 -10.058 -5.601 -11.527 1.00 2.32 H new ATOM 0 HB2 GLU A 8 -9.841 -7.055 -13.736 1.00 3.06 H new ATOM 0 HB3 GLU A 8 -10.324 -5.579 -14.549 1.00 3.06 H new ATOM 0 HG2 GLU A 8 -8.126 -4.953 -14.433 1.00 3.55 H new ATOM 0 HG3 GLU A 8 -8.403 -4.662 -12.728 1.00 3.55 H new ATOM 112 N LEU A 9 -11.202 -3.349 -11.571 1.00 2.76 N ATOM 113 CA LEU A 9 -11.704 -1.953 -11.693 1.00 3.48 C ATOM 114 C LEU A 9 -10.702 -1.118 -12.494 1.00 3.43 C ATOM 115 O LEU A 9 -10.969 0.011 -12.855 1.00 4.12 O ATOM 116 CB LEU A 9 -11.873 -1.350 -10.297 1.00 3.72 C ATOM 117 CG LEU A 9 -13.286 -1.631 -9.786 1.00 4.22 C ATOM 118 CD1 LEU A 9 -13.257 -1.797 -8.265 1.00 4.95 C ATOM 119 CD2 LEU A 9 -14.201 -0.460 -10.151 1.00 3.49 C ATOM 0 H LEU A 9 -10.864 -3.609 -10.644 1.00 2.76 H new ATOM 0 HA LEU A 9 -12.665 -1.955 -12.207 1.00 3.48 H new ATOM 0 HB2 LEU A 9 -11.137 -1.775 -9.614 1.00 3.72 H new ATOM 0 HB3 LEU A 9 -11.694 -0.275 -10.330 1.00 3.72 H new ATOM 0 HG LEU A 9 -13.662 -2.546 -10.244 1.00 4.22 H new ATOM 0 HD11 LEU A 9 -14.265 -1.997 -7.902 1.00 4.95 H new ATOM 0 HD12 LEU A 9 -12.604 -2.630 -8.002 1.00 4.95 H new ATOM 0 HD13 LEU A 9 -12.881 -0.883 -7.806 1.00 4.95 H new ATOM 0 HD21 LEU A 9 -15.209 -0.659 -9.787 1.00 3.49 H new ATOM 0 HD22 LEU A 9 -13.823 0.454 -9.692 1.00 3.49 H new ATOM 0 HD23 LEU A 9 -14.223 -0.340 -11.234 1.00 3.49 H new ATOM 131 N LEU A 10 -9.552 -1.665 -12.774 1.00 2.81 N ATOM 132 CA LEU A 10 -8.533 -0.905 -13.552 1.00 2.72 C ATOM 133 C LEU A 10 -7.841 -1.862 -14.525 1.00 2.86 C ATOM 134 O LEU A 10 -6.806 -2.425 -14.230 1.00 2.83 O ATOM 135 CB LEU A 10 -7.512 -0.303 -12.576 1.00 2.41 C ATOM 136 CG LEU A 10 -6.472 0.576 -13.294 1.00 2.12 C ATOM 137 CD1 LEU A 10 -5.216 -0.240 -13.607 1.00 1.99 C ATOM 138 CD2 LEU A 10 -7.038 1.156 -14.596 1.00 2.07 C ATOM 0 H LEU A 10 -9.273 -2.606 -12.498 1.00 2.81 H new ATOM 0 HA LEU A 10 -9.003 -0.100 -14.117 1.00 2.72 H new ATOM 0 HB2 LEU A 10 -8.034 0.293 -11.828 1.00 2.41 H new ATOM 0 HB3 LEU A 10 -7.002 -1.106 -12.045 1.00 2.41 H new ATOM 0 HG LEU A 10 -6.218 1.400 -12.628 1.00 2.12 H new ATOM 0 HD11 LEU A 10 -4.488 0.393 -14.115 1.00 1.99 H new ATOM 0 HD12 LEU A 10 -4.785 -0.616 -12.679 1.00 1.99 H new ATOM 0 HD13 LEU A 10 -5.479 -1.079 -14.251 1.00 1.99 H new ATOM 0 HD21 LEU A 10 -6.280 1.772 -15.080 1.00 2.07 H new ATOM 0 HD22 LEU A 10 -7.324 0.342 -15.263 1.00 2.07 H new ATOM 0 HD23 LEU A 10 -7.913 1.766 -14.372 1.00 2.07 H new ATOM 150 N PRO A 11 -8.426 -2.044 -15.678 1.00 3.10 N ATOM 151 CA PRO A 11 -7.882 -2.950 -16.731 1.00 3.32 C ATOM 152 C PRO A 11 -6.490 -2.521 -17.201 1.00 2.96 C ATOM 153 O PRO A 11 -6.180 -2.566 -18.375 1.00 3.09 O ATOM 154 CB PRO A 11 -8.886 -2.840 -17.885 1.00 3.83 C ATOM 155 CG PRO A 11 -10.123 -2.242 -17.298 1.00 3.73 C ATOM 156 CD PRO A 11 -9.679 -1.405 -16.101 1.00 3.29 C ATOM 0 HA PRO A 11 -7.766 -3.967 -16.356 1.00 3.32 H new ATOM 0 HB2 PRO A 11 -8.493 -2.215 -18.686 1.00 3.83 H new ATOM 0 HB3 PRO A 11 -9.093 -3.819 -18.317 1.00 3.83 H new ATOM 0 HG2 PRO A 11 -10.640 -1.624 -18.032 1.00 3.73 H new ATOM 0 HG3 PRO A 11 -10.820 -3.021 -16.989 1.00 3.73 H new ATOM 0 HD2 PRO A 11 -9.524 -0.362 -16.377 1.00 3.29 H new ATOM 0 HD3 PRO A 11 -10.424 -1.417 -15.305 1.00 3.29 H new ATOM 164 N HIS A 12 -5.647 -2.110 -16.295 1.00 2.52 N ATOM 165 CA HIS A 12 -4.275 -1.683 -16.697 1.00 2.16 C ATOM 166 C HIS A 12 -3.268 -2.117 -15.630 1.00 1.83 C ATOM 167 O HIS A 12 -3.385 -1.769 -14.471 1.00 1.69 O ATOM 168 CB HIS A 12 -4.225 -0.160 -16.853 1.00 2.13 C ATOM 169 CG HIS A 12 -3.076 0.212 -17.747 1.00 1.93 C ATOM 170 ND1 HIS A 12 -3.137 0.082 -19.126 1.00 1.98 N ATOM 171 CD2 HIS A 12 -1.827 0.711 -17.472 1.00 1.81 C ATOM 172 CE1 HIS A 12 -1.958 0.495 -19.625 1.00 1.94 C ATOM 173 NE2 HIS A 12 -1.123 0.889 -18.661 1.00 1.82 N ATOM 0 H HIS A 12 -5.847 -2.051 -15.296 1.00 2.52 H new ATOM 0 HA HIS A 12 -4.023 -2.150 -17.649 1.00 2.16 H new ATOM 0 HB2 HIS A 12 -5.162 0.204 -17.275 1.00 2.13 H new ATOM 0 HB3 HIS A 12 -4.110 0.313 -15.878 1.00 2.13 H new ATOM 0 HD1 HIS A 12 -3.931 -0.264 -19.664 1.00 1.98 H new ATOM 0 HD2 HIS A 12 -1.448 0.932 -16.485 1.00 1.81 H new ATOM 0 HE1 HIS A 12 -1.716 0.506 -20.678 1.00 1.94 H new ATOM 181 N THR A 13 -2.278 -2.874 -16.014 1.00 1.82 N ATOM 182 CA THR A 13 -1.260 -3.331 -15.028 1.00 1.56 C ATOM 183 C THR A 13 -0.095 -3.985 -15.774 1.00 1.39 C ATOM 184 O THR A 13 0.394 -5.029 -15.391 1.00 1.58 O ATOM 185 CB THR A 13 -1.891 -4.348 -14.074 1.00 1.72 C ATOM 186 OG1 THR A 13 -0.886 -5.225 -13.587 1.00 1.59 O ATOM 187 CG2 THR A 13 -2.959 -5.153 -14.816 1.00 1.97 C ATOM 0 H THR A 13 -2.130 -3.196 -16.970 1.00 1.82 H new ATOM 0 HA THR A 13 -0.896 -2.478 -14.456 1.00 1.56 H new ATOM 0 HB THR A 13 -2.352 -3.824 -13.237 1.00 1.72 H new ATOM 0 HG1 THR A 13 -1.307 -5.992 -13.145 1.00 1.59 H new ATOM 0 HG21 THR A 13 -3.407 -5.877 -14.135 1.00 1.97 H new ATOM 0 HG22 THR A 13 -3.730 -4.478 -15.188 1.00 1.97 H new ATOM 0 HG23 THR A 13 -2.502 -5.678 -15.654 1.00 1.97 H new ATOM 195 N SER A 14 0.348 -3.381 -16.843 1.00 1.20 N ATOM 196 CA SER A 14 1.476 -3.971 -17.617 1.00 1.07 C ATOM 197 C SER A 14 2.727 -3.108 -17.445 1.00 1.04 C ATOM 198 O SER A 14 3.237 -2.543 -18.392 1.00 1.10 O ATOM 199 CB SER A 14 1.099 -4.033 -19.098 1.00 1.14 C ATOM 200 OG SER A 14 -0.089 -4.797 -19.248 1.00 1.96 O ATOM 0 H SER A 14 -0.022 -2.506 -17.213 1.00 1.20 H new ATOM 0 HA SER A 14 1.679 -4.977 -17.249 1.00 1.07 H new ATOM 0 HB2 SER A 14 0.950 -3.027 -19.490 1.00 1.14 H new ATOM 0 HB3 SER A 14 1.909 -4.482 -19.673 1.00 1.14 H new ATOM 0 HG SER A 14 -0.334 -4.837 -20.196 1.00 1.96 H new ATOM 206 N PHE A 15 3.231 -3.007 -16.245 1.00 1.01 N ATOM 207 CA PHE A 15 4.455 -2.188 -16.019 1.00 1.00 C ATOM 208 C PHE A 15 5.639 -2.846 -16.731 1.00 1.00 C ATOM 209 O PHE A 15 6.784 -2.618 -16.393 1.00 0.98 O ATOM 210 CB PHE A 15 4.747 -2.113 -14.518 1.00 0.98 C ATOM 211 CG PHE A 15 4.045 -0.919 -13.918 1.00 0.88 C ATOM 212 CD1 PHE A 15 2.840 -0.461 -14.467 1.00 1.74 C ATOM 213 CD2 PHE A 15 4.599 -0.270 -12.809 1.00 1.11 C ATOM 214 CE1 PHE A 15 2.191 0.645 -13.904 1.00 1.76 C ATOM 215 CE2 PHE A 15 3.951 0.836 -12.248 1.00 1.14 C ATOM 216 CZ PHE A 15 2.747 1.294 -12.795 1.00 0.95 C ATOM 0 H PHE A 15 2.848 -3.456 -15.413 1.00 1.01 H new ATOM 0 HA PHE A 15 4.301 -1.183 -16.412 1.00 1.00 H new ATOM 0 HB2 PHE A 15 4.413 -3.027 -14.027 1.00 0.98 H new ATOM 0 HB3 PHE A 15 5.821 -2.036 -14.351 1.00 0.98 H new ATOM 0 HD1 PHE A 15 2.412 -0.960 -15.324 1.00 1.74 H new ATOM 0 HD2 PHE A 15 5.528 -0.623 -12.386 1.00 1.11 H new ATOM 0 HE1 PHE A 15 1.261 0.997 -14.326 1.00 1.76 H new ATOM 0 HE2 PHE A 15 4.380 1.336 -11.393 1.00 1.14 H new ATOM 0 HZ PHE A 15 2.247 2.148 -12.362 1.00 0.95 H new ATOM 226 N ALA A 16 5.371 -3.668 -17.708 1.00 1.06 N ATOM 227 CA ALA A 16 6.478 -4.349 -18.436 1.00 1.09 C ATOM 228 C ALA A 16 6.922 -3.496 -19.627 1.00 1.10 C ATOM 229 O ALA A 16 8.047 -3.040 -19.689 1.00 1.18 O ATOM 230 CB ALA A 16 5.991 -5.708 -18.941 1.00 1.14 C ATOM 0 H ALA A 16 4.432 -3.898 -18.034 1.00 1.06 H new ATOM 0 HA ALA A 16 7.321 -4.486 -17.759 1.00 1.09 H new ATOM 0 HB1 ALA A 16 6.799 -6.209 -19.474 1.00 1.14 H new ATOM 0 HB2 ALA A 16 5.680 -6.321 -18.095 1.00 1.14 H new ATOM 0 HB3 ALA A 16 5.146 -5.564 -19.614 1.00 1.14 H new ATOM 236 N GLU A 17 6.054 -3.283 -20.577 1.00 1.15 N ATOM 237 CA GLU A 17 6.435 -2.470 -21.764 1.00 1.19 C ATOM 238 C GLU A 17 5.667 -1.145 -21.757 1.00 1.29 C ATOM 239 O GLU A 17 5.228 -0.668 -22.785 1.00 1.41 O ATOM 240 CB GLU A 17 6.092 -3.248 -23.035 1.00 1.32 C ATOM 241 CG GLU A 17 7.294 -4.098 -23.453 1.00 1.41 C ATOM 242 CD GLU A 17 8.135 -3.327 -24.472 1.00 1.67 C ATOM 243 OE1 GLU A 17 7.684 -3.183 -25.597 1.00 1.96 O ATOM 244 OE2 GLU A 17 9.217 -2.894 -24.110 1.00 2.13 O ATOM 0 H GLU A 17 5.097 -3.637 -20.582 1.00 1.15 H new ATOM 0 HA GLU A 17 7.505 -2.263 -21.732 1.00 1.19 H new ATOM 0 HB2 GLU A 17 5.225 -3.886 -22.861 1.00 1.32 H new ATOM 0 HB3 GLU A 17 5.825 -2.558 -23.836 1.00 1.32 H new ATOM 0 HG2 GLU A 17 7.898 -4.346 -22.580 1.00 1.41 H new ATOM 0 HG3 GLU A 17 6.954 -5.040 -23.884 1.00 1.41 H new ATOM 251 N SER A 18 5.506 -0.544 -20.611 1.00 1.41 N ATOM 252 CA SER A 18 4.770 0.751 -20.551 1.00 1.64 C ATOM 253 C SER A 18 4.290 1.008 -19.122 1.00 1.51 C ATOM 254 O SER A 18 3.964 0.094 -18.391 1.00 1.30 O ATOM 255 CB SER A 18 3.564 0.698 -21.490 1.00 2.02 C ATOM 256 OG SER A 18 3.952 1.149 -22.780 1.00 2.26 O ATOM 0 H SER A 18 5.851 -0.891 -19.716 1.00 1.41 H new ATOM 0 HA SER A 18 5.437 1.557 -20.858 1.00 1.64 H new ATOM 0 HB2 SER A 18 3.179 -0.320 -21.549 1.00 2.02 H new ATOM 0 HB3 SER A 18 2.759 1.321 -21.101 1.00 2.02 H new ATOM 0 HG SER A 18 4.779 0.697 -23.049 1.00 2.26 H new ATOM 262 N LEU A 19 4.241 2.249 -18.720 1.00 1.67 N ATOM 263 CA LEU A 19 3.780 2.568 -17.340 1.00 1.59 C ATOM 264 C LEU A 19 2.251 2.503 -17.281 1.00 1.72 C ATOM 265 O LEU A 19 1.682 1.596 -16.707 1.00 2.45 O ATOM 266 CB LEU A 19 4.244 3.977 -16.960 1.00 1.61 C ATOM 267 CG LEU A 19 5.668 3.913 -16.404 1.00 1.71 C ATOM 268 CD1 LEU A 19 6.510 5.027 -17.028 1.00 2.60 C ATOM 269 CD2 LEU A 19 5.629 4.094 -14.885 1.00 1.37 C ATOM 0 H LEU A 19 4.500 3.055 -19.288 1.00 1.67 H new ATOM 0 HA LEU A 19 4.201 1.844 -16.642 1.00 1.59 H new ATOM 0 HB2 LEU A 19 4.212 4.630 -17.832 1.00 1.61 H new ATOM 0 HB3 LEU A 19 3.571 4.405 -16.217 1.00 1.61 H new ATOM 0 HG LEU A 19 6.110 2.946 -16.645 1.00 1.71 H new ATOM 0 HD11 LEU A 19 7.525 4.982 -16.632 1.00 2.60 H new ATOM 0 HD12 LEU A 19 6.537 4.900 -18.110 1.00 2.60 H new ATOM 0 HD13 LEU A 19 6.069 5.994 -16.787 1.00 2.60 H new ATOM 0 HD21 LEU A 19 6.643 4.049 -14.487 1.00 1.37 H new ATOM 0 HD22 LEU A 19 5.188 5.061 -14.645 1.00 1.37 H new ATOM 0 HD23 LEU A 19 5.029 3.301 -14.439 1.00 1.37 H new ATOM 281 N GLY A 20 1.582 3.458 -17.869 1.00 1.44 N ATOM 282 CA GLY A 20 0.092 3.448 -17.844 1.00 1.58 C ATOM 283 C GLY A 20 -0.416 4.706 -17.135 1.00 1.59 C ATOM 284 O GLY A 20 0.331 5.633 -16.892 1.00 1.62 O ATOM 0 H GLY A 20 2.003 4.244 -18.365 1.00 1.44 H new ATOM 0 HA2 GLY A 20 -0.299 3.408 -18.861 1.00 1.58 H new ATOM 0 HA3 GLY A 20 -0.268 2.557 -17.329 1.00 1.58 H new ATOM 288 N PRO A 21 -1.680 4.734 -16.805 1.00 1.60 N ATOM 289 CA PRO A 21 -2.303 5.898 -16.110 1.00 1.60 C ATOM 290 C PRO A 21 -1.675 6.143 -14.737 1.00 1.43 C ATOM 291 O PRO A 21 -1.773 7.218 -14.179 1.00 1.67 O ATOM 292 CB PRO A 21 -3.777 5.510 -15.951 1.00 1.68 C ATOM 293 CG PRO A 21 -4.006 4.339 -16.849 1.00 1.70 C ATOM 294 CD PRO A 21 -2.652 3.661 -17.060 1.00 1.63 C ATOM 0 HA PRO A 21 -2.162 6.819 -16.675 1.00 1.60 H new ATOM 0 HB2 PRO A 21 -4.001 5.255 -14.915 1.00 1.68 H new ATOM 0 HB3 PRO A 21 -4.428 6.341 -16.223 1.00 1.68 H new ATOM 0 HG2 PRO A 21 -4.719 3.645 -16.403 1.00 1.70 H new ATOM 0 HG3 PRO A 21 -4.428 4.661 -17.801 1.00 1.70 H new ATOM 0 HD2 PRO A 21 -2.513 2.824 -16.376 1.00 1.63 H new ATOM 0 HD3 PRO A 21 -2.556 3.266 -18.071 1.00 1.63 H new ATOM 302 N TRP A 22 -1.030 5.150 -14.189 1.00 1.30 N ATOM 303 CA TRP A 22 -0.396 5.317 -12.852 1.00 1.15 C ATOM 304 C TRP A 22 0.735 6.343 -12.950 1.00 1.24 C ATOM 305 O TRP A 22 0.853 7.058 -13.925 1.00 1.48 O ATOM 306 CB TRP A 22 0.169 3.973 -12.391 1.00 1.19 C ATOM 307 CG TRP A 22 -0.956 3.035 -12.083 1.00 1.24 C ATOM 308 CD1 TRP A 22 -1.996 2.769 -12.907 1.00 1.40 C ATOM 309 CD2 TRP A 22 -1.169 2.233 -10.886 1.00 1.50 C ATOM 310 NE1 TRP A 22 -2.834 1.858 -12.289 1.00 1.52 N ATOM 311 CE2 TRP A 22 -2.367 1.497 -11.041 1.00 1.59 C ATOM 312 CE3 TRP A 22 -0.446 2.077 -9.692 1.00 1.94 C ATOM 313 CZ2 TRP A 22 -2.830 0.634 -10.044 1.00 1.97 C ATOM 314 CZ3 TRP A 22 -0.907 1.212 -8.688 1.00 2.42 C ATOM 315 CH2 TRP A 22 -2.097 0.490 -8.862 1.00 2.39 C ATOM 0 H TRP A 22 -0.915 4.229 -14.611 1.00 1.30 H new ATOM 0 HA TRP A 22 -1.138 5.666 -12.134 1.00 1.15 H new ATOM 0 HB2 TRP A 22 0.807 3.550 -13.167 1.00 1.19 H new ATOM 0 HB3 TRP A 22 0.792 4.113 -11.507 1.00 1.19 H new ATOM 0 HD1 TRP A 22 -2.147 3.198 -13.887 1.00 1.40 H new ATOM 0 HE1 TRP A 22 -3.693 1.497 -12.705 1.00 1.52 H new ATOM 0 HE3 TRP A 22 0.472 2.627 -9.546 1.00 1.94 H new ATOM 0 HZ2 TRP A 22 -3.748 0.082 -10.186 1.00 1.97 H new ATOM 0 HZ3 TRP A 22 -0.341 1.101 -7.775 1.00 2.42 H new ATOM 0 HH2 TRP A 22 -2.446 -0.175 -8.086 1.00 2.39 H new ATOM 326 N SER A 23 1.568 6.423 -11.948 1.00 1.20 N ATOM 327 CA SER A 23 2.689 7.405 -11.989 1.00 1.36 C ATOM 328 C SER A 23 3.873 6.867 -11.183 1.00 1.28 C ATOM 329 O SER A 23 3.786 5.836 -10.546 1.00 1.33 O ATOM 330 CB SER A 23 2.224 8.732 -11.386 1.00 1.45 C ATOM 331 OG SER A 23 1.676 9.548 -12.413 1.00 1.64 O ATOM 0 H SER A 23 1.521 5.852 -11.104 1.00 1.20 H new ATOM 0 HA SER A 23 2.996 7.561 -13.023 1.00 1.36 H new ATOM 0 HB2 SER A 23 1.478 8.551 -10.612 1.00 1.45 H new ATOM 0 HB3 SER A 23 3.061 9.241 -10.909 1.00 1.45 H new ATOM 0 HG SER A 23 1.312 8.979 -13.123 1.00 1.64 H new ATOM 337 N LEU A 24 4.979 7.558 -11.205 1.00 1.31 N ATOM 338 CA LEU A 24 6.169 7.087 -10.442 1.00 1.25 C ATOM 339 C LEU A 24 7.242 8.177 -10.448 1.00 1.30 C ATOM 340 O LEU A 24 7.367 8.934 -11.390 1.00 1.47 O ATOM 341 CB LEU A 24 6.724 5.819 -11.092 1.00 1.40 C ATOM 342 CG LEU A 24 7.935 5.319 -10.302 1.00 1.44 C ATOM 343 CD1 LEU A 24 7.524 5.032 -8.858 1.00 2.02 C ATOM 344 CD2 LEU A 24 8.462 4.034 -10.945 1.00 2.05 C ATOM 0 H LEU A 24 5.110 8.429 -11.719 1.00 1.31 H new ATOM 0 HA LEU A 24 5.879 6.869 -9.414 1.00 1.25 H new ATOM 0 HB2 LEU A 24 5.954 5.048 -11.122 1.00 1.40 H new ATOM 0 HB3 LEU A 24 7.010 6.024 -12.124 1.00 1.40 H new ATOM 0 HG LEU A 24 8.714 6.081 -10.311 1.00 1.44 H new ATOM 0 HD11 LEU A 24 8.388 4.676 -8.298 1.00 2.02 H new ATOM 0 HD12 LEU A 24 7.145 5.945 -8.399 1.00 2.02 H new ATOM 0 HD13 LEU A 24 6.745 4.270 -8.846 1.00 2.02 H new ATOM 0 HD21 LEU A 24 9.325 3.674 -10.385 1.00 2.05 H new ATOM 0 HD22 LEU A 24 7.680 3.275 -10.934 1.00 2.05 H new ATOM 0 HD23 LEU A 24 8.756 4.237 -11.975 1.00 2.05 H new ATOM 356 N TYR A 25 8.017 8.264 -9.402 1.00 1.23 N ATOM 357 CA TYR A 25 9.080 9.308 -9.346 1.00 1.38 C ATOM 358 C TYR A 25 9.589 9.449 -7.910 1.00 1.34 C ATOM 359 O TYR A 25 9.333 8.615 -7.065 1.00 1.42 O ATOM 360 CB TYR A 25 8.503 10.647 -9.813 1.00 1.72 C ATOM 361 CG TYR A 25 7.021 10.693 -9.520 1.00 1.09 C ATOM 362 CD1 TYR A 25 6.506 10.045 -8.390 1.00 1.22 C ATOM 363 CD2 TYR A 25 6.160 11.382 -10.383 1.00 1.62 C ATOM 364 CE1 TYR A 25 5.133 10.089 -8.122 1.00 1.27 C ATOM 365 CE2 TYR A 25 4.787 11.425 -10.115 1.00 1.57 C ATOM 366 CZ TYR A 25 4.273 10.779 -8.985 1.00 1.08 C ATOM 367 OH TYR A 25 2.919 10.822 -8.721 1.00 1.63 O ATOM 0 H TYR A 25 7.960 7.658 -8.584 1.00 1.23 H new ATOM 0 HA TYR A 25 9.906 9.017 -9.996 1.00 1.38 H new ATOM 0 HB2 TYR A 25 9.009 11.469 -9.306 1.00 1.72 H new ATOM 0 HB3 TYR A 25 8.676 10.776 -10.881 1.00 1.72 H new ATOM 0 HD1 TYR A 25 7.169 9.511 -7.725 1.00 1.22 H new ATOM 0 HD2 TYR A 25 6.556 11.880 -11.256 1.00 1.62 H new ATOM 0 HE1 TYR A 25 4.737 9.591 -7.250 1.00 1.27 H new ATOM 0 HE2 TYR A 25 4.124 11.957 -10.781 1.00 1.57 H new ATOM 0 HH TYR A 25 2.466 11.342 -9.417 1.00 1.63 H new ATOM 377 N GLY A 26 10.304 10.503 -7.627 1.00 1.33 N ATOM 378 CA GLY A 26 10.824 10.705 -6.245 1.00 1.32 C ATOM 379 C GLY A 26 12.067 9.840 -6.026 1.00 1.25 C ATOM 380 O GLY A 26 12.879 10.112 -5.164 1.00 1.70 O ATOM 0 H GLY A 26 10.551 11.234 -8.294 1.00 1.33 H new ATOM 0 HA2 GLY A 26 11.069 11.756 -6.089 1.00 1.32 H new ATOM 0 HA3 GLY A 26 10.056 10.445 -5.516 1.00 1.32 H new ATOM 384 N THR A 27 12.225 8.799 -6.798 1.00 0.93 N ATOM 385 CA THR A 27 13.418 7.924 -6.627 1.00 0.90 C ATOM 386 C THR A 27 14.356 8.100 -7.824 1.00 0.92 C ATOM 387 O THR A 27 14.523 9.189 -8.339 1.00 0.97 O ATOM 388 CB THR A 27 12.949 6.464 -6.518 1.00 0.88 C ATOM 389 OG1 THR A 27 13.821 5.608 -7.238 1.00 0.73 O ATOM 390 CG2 THR A 27 11.534 6.338 -7.086 1.00 0.95 C ATOM 0 H THR A 27 11.581 8.518 -7.537 1.00 0.93 H new ATOM 0 HA THR A 27 13.959 8.195 -5.721 1.00 0.90 H new ATOM 0 HB THR A 27 12.954 6.172 -5.468 1.00 0.88 H new ATOM 0 HG1 THR A 27 13.541 5.570 -8.176 1.00 0.73 H new ATOM 0 HG21 THR A 27 11.202 5.303 -7.009 1.00 0.95 H new ATOM 0 HG22 THR A 27 10.857 6.980 -6.522 1.00 0.95 H new ATOM 0 HG23 THR A 27 11.534 6.642 -8.133 1.00 0.95 H new ATOM 398 N SER A 28 14.965 7.041 -8.274 1.00 1.12 N ATOM 399 CA SER A 28 15.886 7.141 -9.440 1.00 1.40 C ATOM 400 C SER A 28 15.095 6.903 -10.726 1.00 1.29 C ATOM 401 O SER A 28 14.269 6.015 -10.799 1.00 0.98 O ATOM 402 CB SER A 28 16.986 6.086 -9.314 1.00 1.80 C ATOM 403 OG SER A 28 16.411 4.857 -8.893 1.00 1.73 O ATOM 0 H SER A 28 14.864 6.104 -7.883 1.00 1.12 H new ATOM 0 HA SER A 28 16.339 8.132 -9.466 1.00 1.40 H new ATOM 0 HB2 SER A 28 17.492 5.955 -10.271 1.00 1.80 H new ATOM 0 HB3 SER A 28 17.739 6.413 -8.597 1.00 1.80 H new ATOM 0 HG SER A 28 15.491 4.795 -9.225 1.00 1.73 H new ATOM 409 N GLU A 29 15.339 7.690 -11.739 1.00 1.62 N ATOM 410 CA GLU A 29 14.600 7.512 -13.022 1.00 1.60 C ATOM 411 C GLU A 29 14.278 6.029 -13.232 1.00 1.23 C ATOM 412 O GLU A 29 15.101 5.273 -13.709 1.00 1.37 O ATOM 413 CB GLU A 29 15.470 8.010 -14.179 1.00 2.07 C ATOM 414 CG GLU A 29 15.606 9.531 -14.097 1.00 1.86 C ATOM 415 CD GLU A 29 14.389 10.189 -14.748 1.00 1.99 C ATOM 416 OE1 GLU A 29 13.649 9.489 -15.419 1.00 2.35 O ATOM 417 OE2 GLU A 29 14.216 11.383 -14.564 1.00 2.40 O ATOM 0 H GLU A 29 16.019 8.450 -11.733 1.00 1.62 H new ATOM 0 HA GLU A 29 13.671 8.081 -12.987 1.00 1.60 H new ATOM 0 HB2 GLU A 29 16.454 7.543 -14.135 1.00 2.07 H new ATOM 0 HB3 GLU A 29 15.024 7.725 -15.132 1.00 2.07 H new ATOM 0 HG2 GLU A 29 15.688 9.844 -13.056 1.00 1.86 H new ATOM 0 HG3 GLU A 29 16.518 9.853 -14.599 1.00 1.86 H new ATOM 424 N PRO A 30 13.089 5.617 -12.881 1.00 0.95 N ATOM 425 CA PRO A 30 12.653 4.199 -13.037 1.00 0.81 C ATOM 426 C PRO A 30 12.864 3.706 -14.470 1.00 0.80 C ATOM 427 O PRO A 30 13.048 4.491 -15.379 1.00 0.86 O ATOM 428 CB PRO A 30 11.161 4.225 -12.697 1.00 0.94 C ATOM 429 CG PRO A 30 10.947 5.462 -11.888 1.00 1.13 C ATOM 430 CD PRO A 30 12.030 6.458 -12.300 1.00 1.10 C ATOM 0 HA PRO A 30 13.223 3.524 -12.399 1.00 0.81 H new ATOM 0 HB2 PRO A 30 10.554 4.241 -13.602 1.00 0.94 H new ATOM 0 HB3 PRO A 30 10.873 3.336 -12.135 1.00 0.94 H new ATOM 0 HG2 PRO A 30 9.955 5.875 -12.069 1.00 1.13 H new ATOM 0 HG3 PRO A 30 11.011 5.242 -10.822 1.00 1.13 H new ATOM 0 HD2 PRO A 30 11.653 7.180 -13.024 1.00 1.10 H new ATOM 0 HD3 PRO A 30 12.396 7.025 -11.444 1.00 1.10 H new ATOM 438 N VAL A 31 12.845 2.420 -14.690 1.00 0.80 N ATOM 439 CA VAL A 31 13.054 1.920 -16.080 1.00 0.82 C ATOM 440 C VAL A 31 12.394 0.553 -16.269 1.00 0.78 C ATOM 441 O VAL A 31 12.535 -0.335 -15.453 1.00 0.84 O ATOM 442 CB VAL A 31 14.555 1.794 -16.348 1.00 0.92 C ATOM 443 CG1 VAL A 31 14.778 1.242 -17.757 1.00 0.99 C ATOM 444 CG2 VAL A 31 15.210 3.173 -16.232 1.00 1.05 C ATOM 0 H VAL A 31 12.696 1.703 -13.980 1.00 0.80 H new ATOM 0 HA VAL A 31 12.603 2.626 -16.777 1.00 0.82 H new ATOM 0 HB VAL A 31 14.999 1.117 -15.618 1.00 0.92 H new ATOM 0 HG11 VAL A 31 15.847 1.152 -17.948 1.00 0.99 H new ATOM 0 HG12 VAL A 31 14.311 0.261 -17.842 1.00 0.99 H new ATOM 0 HG13 VAL A 31 14.335 1.919 -18.487 1.00 0.99 H new ATOM 0 HG21 VAL A 31 16.280 3.085 -16.423 1.00 1.05 H new ATOM 0 HG22 VAL A 31 14.766 3.849 -16.962 1.00 1.05 H new ATOM 0 HG23 VAL A 31 15.052 3.568 -15.228 1.00 1.05 H new ATOM 454 N PHE A 32 11.687 0.379 -17.359 1.00 0.74 N ATOM 455 CA PHE A 32 11.029 -0.931 -17.633 1.00 0.77 C ATOM 456 C PHE A 32 11.986 -1.825 -18.423 1.00 0.87 C ATOM 457 O PHE A 32 11.958 -1.871 -19.636 1.00 1.19 O ATOM 458 CB PHE A 32 9.735 -0.717 -18.426 1.00 0.78 C ATOM 459 CG PHE A 32 9.832 0.535 -19.268 1.00 0.93 C ATOM 460 CD1 PHE A 32 11.053 0.918 -19.838 1.00 1.63 C ATOM 461 CD2 PHE A 32 8.687 1.312 -19.481 1.00 1.50 C ATOM 462 CE1 PHE A 32 11.126 2.079 -20.617 1.00 1.82 C ATOM 463 CE2 PHE A 32 8.760 2.472 -20.259 1.00 1.78 C ATOM 464 CZ PHE A 32 9.981 2.856 -20.828 1.00 1.56 C ATOM 0 H PHE A 32 11.538 1.093 -18.072 1.00 0.74 H new ATOM 0 HA PHE A 32 10.781 -1.413 -16.687 1.00 0.77 H new ATOM 0 HB2 PHE A 32 9.547 -1.579 -19.066 1.00 0.78 H new ATOM 0 HB3 PHE A 32 8.891 -0.638 -17.741 1.00 0.78 H new ATOM 0 HD1 PHE A 32 11.937 0.319 -19.677 1.00 1.63 H new ATOM 0 HD2 PHE A 32 7.745 1.015 -19.044 1.00 1.50 H new ATOM 0 HE1 PHE A 32 12.067 2.376 -21.056 1.00 1.82 H new ATOM 0 HE2 PHE A 32 7.876 3.071 -20.421 1.00 1.78 H new ATOM 0 HZ PHE A 32 10.039 3.751 -21.429 1.00 1.56 H new ATOM 474 N ALA A 33 12.839 -2.532 -17.734 1.00 0.77 N ATOM 475 CA ALA A 33 13.812 -3.421 -18.431 1.00 0.84 C ATOM 476 C ALA A 33 13.075 -4.593 -19.085 1.00 0.67 C ATOM 477 O ALA A 33 12.014 -4.433 -19.653 1.00 0.92 O ATOM 478 CB ALA A 33 14.829 -3.954 -17.419 1.00 1.17 C ATOM 0 H ALA A 33 12.904 -2.533 -16.716 1.00 0.77 H new ATOM 0 HA ALA A 33 14.329 -2.851 -19.203 1.00 0.84 H new ATOM 0 HB1 ALA A 33 15.541 -4.604 -17.927 1.00 1.17 H new ATOM 0 HB2 ALA A 33 15.361 -3.119 -16.964 1.00 1.17 H new ATOM 0 HB3 ALA A 33 14.310 -4.519 -16.645 1.00 1.17 H new ATOM 484 N ASP A 34 13.639 -5.769 -19.015 1.00 0.77 N ATOM 485 CA ASP A 34 12.986 -6.957 -19.639 1.00 0.85 C ATOM 486 C ASP A 34 11.532 -7.064 -19.170 1.00 0.84 C ATOM 487 O ASP A 34 11.196 -7.883 -18.340 1.00 0.99 O ATOM 488 CB ASP A 34 13.743 -8.223 -19.234 1.00 1.13 C ATOM 489 CG ASP A 34 13.428 -9.345 -20.225 1.00 1.54 C ATOM 490 OD1 ASP A 34 13.970 -9.313 -21.318 1.00 1.78 O ATOM 491 OD2 ASP A 34 12.652 -10.218 -19.875 1.00 2.21 O ATOM 0 H ASP A 34 14.527 -5.959 -18.551 1.00 0.77 H new ATOM 0 HA ASP A 34 13.005 -6.846 -20.723 1.00 0.85 H new ATOM 0 HB2 ASP A 34 14.815 -8.029 -19.217 1.00 1.13 H new ATOM 0 HB3 ASP A 34 13.458 -8.523 -18.226 1.00 1.13 H new ATOM 496 N GLY A 35 10.666 -6.249 -19.706 1.00 0.84 N ATOM 497 CA GLY A 35 9.233 -6.311 -19.300 1.00 1.02 C ATOM 498 C GLY A 35 9.113 -6.152 -17.782 1.00 0.90 C ATOM 499 O GLY A 35 8.142 -6.568 -17.183 1.00 1.19 O ATOM 0 H GLY A 35 10.888 -5.543 -20.408 1.00 0.84 H new ATOM 0 HA2 GLY A 35 8.670 -5.525 -19.802 1.00 1.02 H new ATOM 0 HA3 GLY A 35 8.799 -7.262 -19.610 1.00 1.02 H new ATOM 503 N ARG A 36 10.085 -5.548 -17.155 1.00 0.66 N ATOM 504 CA ARG A 36 10.012 -5.362 -15.678 1.00 0.63 C ATOM 505 C ARG A 36 10.452 -3.943 -15.322 1.00 0.62 C ATOM 506 O ARG A 36 11.354 -3.394 -15.922 1.00 0.68 O ATOM 507 CB ARG A 36 10.938 -6.359 -14.980 1.00 0.70 C ATOM 508 CG ARG A 36 12.276 -6.418 -15.719 1.00 1.16 C ATOM 509 CD ARG A 36 13.373 -6.875 -14.755 1.00 1.40 C ATOM 510 NE ARG A 36 13.249 -8.341 -14.519 1.00 2.02 N ATOM 511 CZ ARG A 36 14.237 -9.001 -13.980 1.00 2.19 C ATOM 512 NH1 ARG A 36 15.333 -8.377 -13.646 1.00 2.28 N ATOM 513 NH2 ARG A 36 14.127 -10.286 -13.775 1.00 2.91 N ATOM 0 H ARG A 36 10.924 -5.176 -17.600 1.00 0.66 H new ATOM 0 HA ARG A 36 8.986 -5.528 -15.350 1.00 0.63 H new ATOM 0 HB2 ARG A 36 11.096 -6.060 -13.944 1.00 0.70 H new ATOM 0 HB3 ARG A 36 10.478 -7.347 -14.961 1.00 0.70 H new ATOM 0 HG2 ARG A 36 12.208 -7.106 -16.562 1.00 1.16 H new ATOM 0 HG3 ARG A 36 12.521 -5.438 -16.127 1.00 1.16 H new ATOM 0 HD2 ARG A 36 14.355 -6.644 -15.169 1.00 1.40 H new ATOM 0 HD3 ARG A 36 13.290 -6.336 -13.811 1.00 1.40 H new ATOM 0 HE ARG A 36 12.392 -8.829 -14.779 1.00 2.02 H new ATOM 0 HH11 ARG A 36 15.417 -7.373 -13.806 1.00 2.28 H new ATOM 0 HH12 ARG A 36 16.105 -8.893 -13.225 1.00 2.28 H new ATOM 0 HH21 ARG A 36 13.269 -10.773 -14.036 1.00 2.91 H new ATOM 0 HH22 ARG A 36 14.899 -10.803 -13.354 1.00 2.91 H new ATOM 527 N MET A 37 9.827 -3.347 -14.345 1.00 0.63 N ATOM 528 CA MET A 37 10.221 -1.966 -13.952 1.00 0.67 C ATOM 529 C MET A 37 10.799 -1.986 -12.540 1.00 0.68 C ATOM 530 O MET A 37 10.415 -2.788 -11.710 1.00 0.67 O ATOM 531 CB MET A 37 8.998 -1.040 -14.034 1.00 0.71 C ATOM 532 CG MET A 37 8.588 -0.557 -12.639 1.00 0.75 C ATOM 533 SD MET A 37 9.822 0.610 -12.012 1.00 0.88 S ATOM 534 CE MET A 37 9.302 0.577 -10.278 1.00 0.93 C ATOM 0 H MET A 37 9.064 -3.754 -13.804 1.00 0.63 H new ATOM 0 HA MET A 37 10.984 -1.588 -14.632 1.00 0.67 H new ATOM 0 HB2 MET A 37 9.227 -0.183 -14.668 1.00 0.71 H new ATOM 0 HB3 MET A 37 8.166 -1.569 -14.500 1.00 0.71 H new ATOM 0 HG2 MET A 37 7.609 -0.079 -12.682 1.00 0.75 H new ATOM 0 HG3 MET A 37 8.498 -1.406 -11.961 1.00 0.75 H new ATOM 0 HE1 MET A 37 8.845 1.531 -10.017 1.00 0.93 H new ATOM 0 HE2 MET A 37 8.578 -0.225 -10.130 1.00 0.93 H new ATOM 0 HE3 MET A 37 10.170 0.404 -9.641 1.00 0.93 H new ATOM 544 N CYS A 38 11.723 -1.113 -12.264 1.00 0.73 N ATOM 545 CA CYS A 38 12.329 -1.090 -10.906 1.00 0.78 C ATOM 546 C CYS A 38 12.925 0.288 -10.618 1.00 0.89 C ATOM 547 O CYS A 38 13.150 1.085 -11.509 1.00 0.88 O ATOM 548 CB CYS A 38 13.435 -2.145 -10.828 1.00 0.79 C ATOM 549 SG CYS A 38 13.659 -2.659 -9.107 1.00 1.06 S ATOM 0 H CYS A 38 12.084 -0.417 -12.916 1.00 0.73 H new ATOM 0 HA CYS A 38 11.556 -1.305 -10.168 1.00 0.78 H new ATOM 0 HB2 CYS A 38 13.176 -3.005 -11.445 1.00 0.79 H new ATOM 0 HB3 CYS A 38 14.367 -1.740 -11.222 1.00 0.79 H new ATOM 554 N VAL A 39 13.185 0.559 -9.368 1.00 1.04 N ATOM 555 CA VAL A 39 13.776 1.870 -8.980 1.00 1.18 C ATOM 556 C VAL A 39 14.887 1.612 -7.958 1.00 1.37 C ATOM 557 O VAL A 39 14.840 0.655 -7.209 1.00 1.26 O ATOM 558 CB VAL A 39 12.696 2.753 -8.353 1.00 1.18 C ATOM 559 CG1 VAL A 39 11.663 3.128 -9.416 1.00 1.26 C ATOM 560 CG2 VAL A 39 12.008 1.990 -7.220 1.00 1.26 C ATOM 0 H VAL A 39 13.011 -0.079 -8.592 1.00 1.04 H new ATOM 0 HA VAL A 39 14.181 2.376 -9.856 1.00 1.18 H new ATOM 0 HB VAL A 39 13.153 3.659 -7.956 1.00 1.18 H new ATOM 0 HG11 VAL A 39 10.893 3.757 -8.969 1.00 1.26 H new ATOM 0 HG12 VAL A 39 12.153 3.672 -10.224 1.00 1.26 H new ATOM 0 HG13 VAL A 39 11.205 2.222 -9.814 1.00 1.26 H new ATOM 0 HG21 VAL A 39 11.238 2.619 -6.773 1.00 1.26 H new ATOM 0 HG22 VAL A 39 11.551 1.084 -7.617 1.00 1.26 H new ATOM 0 HG23 VAL A 39 12.744 1.723 -6.462 1.00 1.26 H new ATOM 570 N ASP A 40 15.890 2.447 -7.923 1.00 1.71 N ATOM 571 CA ASP A 40 17.001 2.229 -6.954 1.00 1.97 C ATOM 572 C ASP A 40 16.797 3.100 -5.712 1.00 1.61 C ATOM 573 O ASP A 40 17.115 4.272 -5.707 1.00 2.31 O ATOM 574 CB ASP A 40 18.331 2.594 -7.616 1.00 3.21 C ATOM 575 CG ASP A 40 18.510 1.770 -8.892 1.00 4.09 C ATOM 576 OD1 ASP A 40 18.897 0.617 -8.780 1.00 4.79 O ATOM 577 OD2 ASP A 40 18.258 2.303 -9.960 1.00 4.39 O ATOM 0 H ASP A 40 15.988 3.267 -8.521 1.00 1.71 H new ATOM 0 HA ASP A 40 17.011 1.181 -6.656 1.00 1.97 H new ATOM 0 HB2 ASP A 40 18.352 3.658 -7.852 1.00 3.21 H new ATOM 0 HB3 ASP A 40 19.156 2.404 -6.929 1.00 3.21 H new ATOM 582 N LEU A 41 16.278 2.533 -4.655 1.00 1.25 N ATOM 583 CA LEU A 41 16.067 3.328 -3.413 1.00 1.86 C ATOM 584 C LEU A 41 16.999 2.804 -2.318 1.00 1.67 C ATOM 585 O LEU A 41 16.654 1.902 -1.579 1.00 1.20 O ATOM 586 CB LEU A 41 14.615 3.191 -2.947 1.00 2.45 C ATOM 587 CG LEU A 41 13.716 4.094 -3.791 1.00 2.88 C ATOM 588 CD1 LEU A 41 13.906 3.768 -5.272 1.00 2.65 C ATOM 589 CD2 LEU A 41 12.254 3.858 -3.406 1.00 3.54 C ATOM 0 H LEU A 41 15.992 1.555 -4.599 1.00 1.25 H new ATOM 0 HA LEU A 41 16.282 4.377 -3.615 1.00 1.86 H new ATOM 0 HB2 LEU A 41 14.291 2.154 -3.035 1.00 2.45 H new ATOM 0 HB3 LEU A 41 14.534 3.462 -1.894 1.00 2.45 H new ATOM 0 HG LEU A 41 13.980 5.136 -3.611 1.00 2.88 H new ATOM 0 HD11 LEU A 41 13.264 4.413 -5.872 1.00 2.65 H new ATOM 0 HD12 LEU A 41 14.947 3.932 -5.550 1.00 2.65 H new ATOM 0 HD13 LEU A 41 13.643 2.726 -5.452 1.00 2.65 H new ATOM 0 HD21 LEU A 41 11.611 4.501 -4.007 1.00 3.54 H new ATOM 0 HD22 LEU A 41 11.994 2.815 -3.586 1.00 3.54 H new ATOM 0 HD23 LEU A 41 12.114 4.090 -2.350 1.00 3.54 H new ATOM 601 N PRO A 42 18.174 3.365 -2.219 1.00 2.30 N ATOM 602 CA PRO A 42 19.182 2.956 -1.204 1.00 2.32 C ATOM 603 C PRO A 42 18.919 3.589 0.164 1.00 1.85 C ATOM 604 O PRO A 42 18.258 3.017 1.008 1.00 2.18 O ATOM 605 CB PRO A 42 20.498 3.469 -1.788 1.00 3.11 C ATOM 606 CG PRO A 42 20.126 4.653 -2.622 1.00 3.74 C ATOM 607 CD PRO A 42 18.674 4.457 -3.070 1.00 3.24 C ATOM 0 HA PRO A 42 19.170 1.881 -1.025 1.00 2.32 H new ATOM 0 HB2 PRO A 42 21.196 3.748 -0.999 1.00 3.11 H new ATOM 0 HB3 PRO A 42 20.987 2.702 -2.389 1.00 3.11 H new ATOM 0 HG2 PRO A 42 20.230 5.574 -2.049 1.00 3.74 H new ATOM 0 HG3 PRO A 42 20.786 4.738 -3.485 1.00 3.74 H new ATOM 0 HD2 PRO A 42 18.090 5.367 -2.934 1.00 3.24 H new ATOM 0 HD3 PRO A 42 18.616 4.196 -4.127 1.00 3.24 H new ATOM 615 N GLY A 43 19.433 4.768 0.390 1.00 1.69 N ATOM 616 CA GLY A 43 19.213 5.437 1.703 1.00 1.65 C ATOM 617 C GLY A 43 19.678 6.892 1.619 1.00 1.62 C ATOM 618 O GLY A 43 20.844 7.191 1.781 1.00 2.03 O ATOM 0 H GLY A 43 19.995 5.296 -0.278 1.00 1.69 H new ATOM 0 HA2 GLY A 43 18.157 5.396 1.971 1.00 1.65 H new ATOM 0 HA3 GLY A 43 19.761 4.914 2.486 1.00 1.65 H new ATOM 622 N GLY A 44 18.775 7.800 1.367 1.00 1.61 N ATOM 623 CA GLY A 44 19.167 9.236 1.274 1.00 2.13 C ATOM 624 C GLY A 44 17.938 10.080 0.935 1.00 2.06 C ATOM 625 O GLY A 44 18.033 11.093 0.271 1.00 2.41 O ATOM 0 H GLY A 44 17.783 7.610 1.222 1.00 1.61 H new ATOM 0 HA2 GLY A 44 19.600 9.568 2.218 1.00 2.13 H new ATOM 0 HA3 GLY A 44 19.933 9.366 0.509 1.00 2.13 H new ATOM 629 N GLN A 45 16.783 9.673 1.386 1.00 1.86 N ATOM 630 CA GLN A 45 15.549 10.451 1.089 1.00 1.96 C ATOM 631 C GLN A 45 15.186 11.312 2.302 1.00 1.90 C ATOM 632 O GLN A 45 15.799 11.220 3.347 1.00 1.92 O ATOM 633 CB GLN A 45 14.402 9.486 0.787 1.00 2.10 C ATOM 634 CG GLN A 45 14.366 9.189 -0.713 1.00 2.29 C ATOM 635 CD GLN A 45 14.027 7.714 -0.935 1.00 2.34 C ATOM 636 OE1 GLN A 45 14.594 6.847 -0.302 1.00 2.96 O ATOM 637 NE2 GLN A 45 13.118 7.391 -1.815 1.00 2.07 N ATOM 0 H GLN A 45 16.641 8.834 1.948 1.00 1.86 H new ATOM 0 HA GLN A 45 15.721 11.094 0.226 1.00 1.96 H new ATOM 0 HB2 GLN A 45 14.534 8.561 1.348 1.00 2.10 H new ATOM 0 HB3 GLN A 45 13.454 9.920 1.105 1.00 2.10 H new ATOM 0 HG2 GLN A 45 13.624 9.821 -1.202 1.00 2.29 H new ATOM 0 HG3 GLN A 45 15.330 9.423 -1.164 1.00 2.29 H new ATOM 0 HE21 GLN A 45 12.642 8.119 -2.347 1.00 2.07 H new ATOM 0 HE22 GLN A 45 12.884 6.410 -1.970 1.00 2.07 H new ATOM 646 N GLY A 46 14.192 12.148 2.170 1.00 2.04 N ATOM 647 CA GLY A 46 13.791 13.014 3.315 1.00 2.08 C ATOM 648 C GLY A 46 12.858 12.234 4.243 1.00 2.01 C ATOM 649 O GLY A 46 12.967 12.304 5.451 1.00 2.08 O ATOM 0 H GLY A 46 13.641 12.269 1.320 1.00 2.04 H new ATOM 0 HA2 GLY A 46 14.674 13.343 3.863 1.00 2.08 H new ATOM 0 HA3 GLY A 46 13.291 13.911 2.949 1.00 2.08 H new ATOM 653 N ASN A 47 11.940 11.490 3.689 1.00 2.09 N ATOM 654 CA ASN A 47 11.001 10.707 4.541 1.00 2.14 C ATOM 655 C ASN A 47 10.255 9.689 3.674 1.00 1.80 C ATOM 656 O ASN A 47 10.140 9.850 2.475 1.00 1.63 O ATOM 657 CB ASN A 47 9.994 11.656 5.194 1.00 2.60 C ATOM 658 CG ASN A 47 9.760 12.861 4.281 1.00 2.84 C ATOM 659 OD1 ASN A 47 10.512 13.919 4.412 1.00 2.65 O flip ATOM 660 ND2 ASN A 47 8.884 12.839 3.439 1.00 3.61 N flip ATOM 0 H ASN A 47 11.800 11.391 2.684 1.00 2.09 H new ATOM 0 HA ASN A 47 11.562 10.184 5.315 1.00 2.14 H new ATOM 0 HB2 ASN A 47 9.053 11.136 5.375 1.00 2.60 H new ATOM 0 HB3 ASN A 47 10.367 11.988 6.163 1.00 2.60 H new ATOM 0 HD21 ASN A 47 8.296 12.012 3.336 1.00 3.61 H new ATOM 0 HD22 ASN A 47 8.737 13.648 2.835 1.00 3.61 H new ATOM 667 N PRO A 48 9.752 8.649 4.281 1.00 1.85 N ATOM 668 CA PRO A 48 9.001 7.581 3.565 1.00 1.74 C ATOM 669 C PRO A 48 8.031 8.152 2.527 1.00 1.36 C ATOM 670 O PRO A 48 7.883 7.620 1.444 1.00 1.19 O ATOM 671 CB PRO A 48 8.235 6.874 4.682 1.00 2.19 C ATOM 672 CG PRO A 48 9.051 7.079 5.916 1.00 2.36 C ATOM 673 CD PRO A 48 9.844 8.376 5.725 1.00 2.21 C ATOM 0 HA PRO A 48 9.663 6.922 3.004 1.00 1.74 H new ATOM 0 HB2 PRO A 48 7.235 7.293 4.798 1.00 2.19 H new ATOM 0 HB3 PRO A 48 8.113 5.813 4.464 1.00 2.19 H new ATOM 0 HG2 PRO A 48 8.409 7.146 6.795 1.00 2.36 H new ATOM 0 HG3 PRO A 48 9.724 6.237 6.076 1.00 2.36 H new ATOM 0 HD2 PRO A 48 9.421 9.191 6.312 1.00 2.21 H new ATOM 0 HD3 PRO A 48 10.880 8.259 6.043 1.00 2.21 H new ATOM 681 N TRP A 49 7.370 9.229 2.847 1.00 1.49 N ATOM 682 CA TRP A 49 6.411 9.831 1.878 1.00 1.39 C ATOM 683 C TRP A 49 7.132 10.883 1.034 1.00 1.17 C ATOM 684 O TRP A 49 6.724 12.025 0.966 1.00 1.45 O ATOM 685 CB TRP A 49 5.261 10.492 2.643 1.00 1.79 C ATOM 686 CG TRP A 49 5.801 11.190 3.849 1.00 1.85 C ATOM 687 CD1 TRP A 49 6.423 12.391 3.839 1.00 1.69 C ATOM 688 CD2 TRP A 49 5.779 10.752 5.239 1.00 2.46 C ATOM 689 NE1 TRP A 49 6.783 12.720 5.133 1.00 1.97 N ATOM 690 CE2 TRP A 49 6.409 11.742 6.033 1.00 2.36 C ATOM 691 CE3 TRP A 49 5.280 9.606 5.883 1.00 3.27 C ATOM 692 CZ2 TRP A 49 6.538 11.597 7.415 1.00 2.90 C ATOM 693 CZ3 TRP A 49 5.408 9.458 7.272 1.00 3.87 C ATOM 694 CH2 TRP A 49 6.035 10.450 8.038 1.00 3.62 C ATOM 0 H TRP A 49 7.452 9.719 3.738 1.00 1.49 H new ATOM 0 HA TRP A 49 6.015 9.052 1.227 1.00 1.39 H new ATOM 0 HB2 TRP A 49 4.743 11.203 1.999 1.00 1.79 H new ATOM 0 HB3 TRP A 49 4.529 9.741 2.941 1.00 1.79 H new ATOM 0 HD1 TRP A 49 6.608 12.995 2.963 1.00 1.69 H new ATOM 0 HE1 TRP A 49 7.266 13.580 5.391 1.00 1.97 H new ATOM 0 HE3 TRP A 49 4.795 8.834 5.304 1.00 3.27 H new ATOM 0 HZ2 TRP A 49 7.023 12.365 7.999 1.00 2.90 H new ATOM 0 HZ3 TRP A 49 5.020 8.573 7.755 1.00 3.87 H new ATOM 0 HH2 TRP A 49 6.130 10.329 9.107 1.00 3.62 H new ATOM 705 N ASP A 50 8.202 10.506 0.388 1.00 1.07 N ATOM 706 CA ASP A 50 8.948 11.485 -0.452 1.00 1.36 C ATOM 707 C ASP A 50 9.154 10.903 -1.851 1.00 1.21 C ATOM 708 O ASP A 50 9.771 11.511 -2.703 1.00 1.27 O ATOM 709 CB ASP A 50 10.308 11.773 0.185 1.00 1.73 C ATOM 710 CG ASP A 50 10.141 12.802 1.305 1.00 2.02 C ATOM 711 OD1 ASP A 50 9.120 13.470 1.320 1.00 2.14 O ATOM 712 OD2 ASP A 50 11.036 12.905 2.128 1.00 2.38 O ATOM 0 H ASP A 50 8.591 9.563 0.406 1.00 1.07 H new ATOM 0 HA ASP A 50 8.377 12.411 -0.523 1.00 1.36 H new ATOM 0 HB2 ASP A 50 10.737 10.853 0.583 1.00 1.73 H new ATOM 0 HB3 ASP A 50 11.001 12.148 -0.567 1.00 1.73 H new ATOM 717 N ALA A 51 8.642 9.727 -2.097 1.00 1.09 N ATOM 718 CA ALA A 51 8.810 9.107 -3.441 1.00 1.02 C ATOM 719 C ALA A 51 8.023 7.796 -3.501 1.00 0.89 C ATOM 720 O ALA A 51 7.490 7.336 -2.511 1.00 0.87 O ATOM 721 CB ALA A 51 10.292 8.823 -3.690 1.00 1.11 C ATOM 0 H ALA A 51 8.115 9.170 -1.425 1.00 1.09 H new ATOM 0 HA ALA A 51 8.437 9.790 -4.204 1.00 1.02 H new ATOM 0 HB1 ALA A 51 10.415 8.369 -4.673 1.00 1.11 H new ATOM 0 HB2 ALA A 51 10.853 9.756 -3.648 1.00 1.11 H new ATOM 0 HB3 ALA A 51 10.665 8.141 -2.926 1.00 1.11 H new ATOM 727 N GLY A 52 7.946 7.192 -4.655 1.00 0.86 N ATOM 728 CA GLY A 52 7.193 5.912 -4.775 1.00 0.86 C ATOM 729 C GLY A 52 6.245 5.985 -5.974 1.00 0.87 C ATOM 730 O GLY A 52 6.370 6.842 -6.826 1.00 0.94 O ATOM 0 H GLY A 52 8.371 7.529 -5.519 1.00 0.86 H new ATOM 0 HA2 GLY A 52 7.887 5.080 -4.897 1.00 0.86 H new ATOM 0 HA3 GLY A 52 6.628 5.724 -3.862 1.00 0.86 H new ATOM 734 N LEU A 53 5.297 5.092 -6.044 1.00 0.83 N ATOM 735 CA LEU A 53 4.341 5.109 -7.186 1.00 0.84 C ATOM 736 C LEU A 53 2.964 5.547 -6.683 1.00 0.79 C ATOM 737 O LEU A 53 2.686 5.502 -5.501 1.00 0.78 O ATOM 738 CB LEU A 53 4.246 3.709 -7.799 1.00 0.85 C ATOM 739 CG LEU A 53 3.391 2.807 -6.908 1.00 0.90 C ATOM 740 CD1 LEU A 53 2.037 2.571 -7.573 1.00 0.90 C ATOM 741 CD2 LEU A 53 4.102 1.467 -6.712 1.00 0.96 C ATOM 0 H LEU A 53 5.143 4.351 -5.360 1.00 0.83 H new ATOM 0 HA LEU A 53 4.691 5.808 -7.946 1.00 0.84 H new ATOM 0 HB2 LEU A 53 3.810 3.768 -8.796 1.00 0.85 H new ATOM 0 HB3 LEU A 53 5.243 3.284 -7.912 1.00 0.85 H new ATOM 0 HG LEU A 53 3.242 3.286 -5.940 1.00 0.90 H new ATOM 0 HD11 LEU A 53 1.427 1.928 -6.938 1.00 0.90 H new ATOM 0 HD12 LEU A 53 1.531 3.526 -7.716 1.00 0.90 H new ATOM 0 HD13 LEU A 53 2.185 2.091 -8.540 1.00 0.90 H new ATOM 0 HD21 LEU A 53 3.494 0.822 -6.077 1.00 0.96 H new ATOM 0 HD22 LEU A 53 4.249 0.988 -7.680 1.00 0.96 H new ATOM 0 HD23 LEU A 53 5.070 1.634 -6.239 1.00 0.96 H new ATOM 753 N VAL A 54 2.099 5.970 -7.564 1.00 0.79 N ATOM 754 CA VAL A 54 0.747 6.404 -7.115 1.00 0.78 C ATOM 755 C VAL A 54 -0.266 6.192 -8.243 1.00 0.80 C ATOM 756 O VAL A 54 0.091 6.067 -9.398 1.00 0.90 O ATOM 757 CB VAL A 54 0.784 7.888 -6.742 1.00 0.89 C ATOM 758 CG1 VAL A 54 -0.348 8.201 -5.762 1.00 0.92 C ATOM 759 CG2 VAL A 54 2.127 8.220 -6.086 1.00 0.92 C ATOM 0 H VAL A 54 2.268 6.033 -8.568 1.00 0.79 H new ATOM 0 HA VAL A 54 0.452 5.815 -6.247 1.00 0.78 H new ATOM 0 HB VAL A 54 0.661 8.487 -7.644 1.00 0.89 H new ATOM 0 HG11 VAL A 54 -0.319 9.258 -5.498 1.00 0.92 H new ATOM 0 HG12 VAL A 54 -1.306 7.969 -6.227 1.00 0.92 H new ATOM 0 HG13 VAL A 54 -0.226 7.599 -4.861 1.00 0.92 H new ATOM 0 HG21 VAL A 54 2.151 9.277 -5.821 1.00 0.92 H new ATOM 0 HG22 VAL A 54 2.251 7.618 -5.186 1.00 0.92 H new ATOM 0 HG23 VAL A 54 2.936 8.002 -6.783 1.00 0.92 H new ATOM 769 N TYR A 55 -1.529 6.157 -7.916 1.00 0.78 N ATOM 770 CA TYR A 55 -2.569 5.961 -8.965 1.00 0.82 C ATOM 771 C TYR A 55 -3.958 6.076 -8.334 1.00 0.81 C ATOM 772 O TYR A 55 -4.161 5.725 -7.188 1.00 1.06 O ATOM 773 CB TYR A 55 -2.414 4.576 -9.596 1.00 0.83 C ATOM 774 CG TYR A 55 -3.637 4.265 -10.425 1.00 0.97 C ATOM 775 CD1 TYR A 55 -3.939 5.048 -11.545 1.00 1.54 C ATOM 776 CD2 TYR A 55 -4.471 3.196 -10.072 1.00 1.59 C ATOM 777 CE1 TYR A 55 -5.075 4.763 -12.313 1.00 1.71 C ATOM 778 CE2 TYR A 55 -5.608 2.912 -10.839 1.00 1.70 C ATOM 779 CZ TYR A 55 -5.909 3.697 -11.959 1.00 1.37 C ATOM 780 OH TYR A 55 -7.031 3.420 -12.715 1.00 1.61 O ATOM 0 H TYR A 55 -1.886 6.256 -6.966 1.00 0.78 H new ATOM 0 HA TYR A 55 -2.450 6.724 -9.734 1.00 0.82 H new ATOM 0 HB2 TYR A 55 -1.521 4.546 -10.220 1.00 0.83 H new ATOM 0 HB3 TYR A 55 -2.286 3.822 -8.819 1.00 0.83 H new ATOM 0 HD1 TYR A 55 -3.296 5.872 -11.817 1.00 1.54 H new ATOM 0 HD2 TYR A 55 -4.237 2.591 -9.208 1.00 1.59 H new ATOM 0 HE1 TYR A 55 -5.307 5.366 -13.178 1.00 1.71 H new ATOM 0 HE2 TYR A 55 -6.252 2.089 -10.567 1.00 1.70 H new ATOM 0 HH TYR A 55 -6.871 3.683 -13.646 1.00 1.61 H new ATOM 790 N ASN A 56 -4.916 6.565 -9.072 1.00 0.93 N ATOM 791 CA ASN A 56 -6.290 6.704 -8.521 1.00 1.01 C ATOM 792 C ASN A 56 -7.198 5.644 -9.147 1.00 1.28 C ATOM 793 O ASN A 56 -6.895 5.087 -10.184 1.00 2.04 O ATOM 794 CB ASN A 56 -6.828 8.098 -8.847 1.00 1.81 C ATOM 795 CG ASN A 56 -6.468 9.063 -7.717 1.00 2.22 C ATOM 796 OD1 ASN A 56 -7.293 9.841 -7.281 1.00 2.78 O ATOM 797 ND2 ASN A 56 -5.261 9.047 -7.220 1.00 2.47 N ATOM 0 H ASN A 56 -4.804 6.875 -10.037 1.00 0.93 H new ATOM 0 HA ASN A 56 -6.267 6.568 -7.440 1.00 1.01 H new ATOM 0 HB2 ASN A 56 -6.407 8.451 -9.788 1.00 1.81 H new ATOM 0 HB3 ASN A 56 -7.910 8.061 -8.976 1.00 1.81 H new ATOM 0 HD21 ASN A 56 -5.011 9.687 -6.466 1.00 2.47 H new ATOM 0 HD22 ASN A 56 -4.568 8.394 -7.585 1.00 2.47 H new ATOM 804 N GLY A 57 -8.311 5.361 -8.529 1.00 1.18 N ATOM 805 CA GLY A 57 -9.236 4.336 -9.092 1.00 1.77 C ATOM 806 C GLY A 57 -9.278 3.120 -8.166 1.00 1.64 C ATOM 807 O GLY A 57 -8.720 2.082 -8.463 1.00 2.48 O ATOM 0 H GLY A 57 -8.620 5.794 -7.659 1.00 1.18 H new ATOM 0 HA2 GLY A 57 -10.236 4.756 -9.203 1.00 1.77 H new ATOM 0 HA3 GLY A 57 -8.903 4.038 -10.086 1.00 1.77 H new ATOM 811 N VAL A 58 -9.936 3.238 -7.046 1.00 1.34 N ATOM 812 CA VAL A 58 -10.014 2.089 -6.102 1.00 1.99 C ATOM 813 C VAL A 58 -11.264 2.229 -5.232 1.00 1.78 C ATOM 814 O VAL A 58 -11.180 2.426 -4.036 1.00 1.95 O ATOM 815 CB VAL A 58 -8.772 2.077 -5.208 1.00 2.93 C ATOM 816 CG1 VAL A 58 -7.538 1.752 -6.054 1.00 3.79 C ATOM 817 CG2 VAL A 58 -8.597 3.453 -4.561 1.00 2.88 C ATOM 0 H VAL A 58 -10.423 4.082 -6.744 1.00 1.34 H new ATOM 0 HA VAL A 58 -10.065 1.158 -6.667 1.00 1.99 H new ATOM 0 HB VAL A 58 -8.890 1.321 -4.431 1.00 2.93 H new ATOM 0 HG11 VAL A 58 -6.653 1.743 -5.418 1.00 3.79 H new ATOM 0 HG12 VAL A 58 -7.662 0.773 -6.517 1.00 3.79 H new ATOM 0 HG13 VAL A 58 -7.420 2.508 -6.830 1.00 3.79 H new ATOM 0 HG21 VAL A 58 -7.713 3.446 -3.924 1.00 2.88 H new ATOM 0 HG22 VAL A 58 -8.478 4.208 -5.338 1.00 2.88 H new ATOM 0 HG23 VAL A 58 -9.475 3.687 -3.960 1.00 2.88 H new ATOM 827 N PRO A 59 -12.419 2.131 -5.835 1.00 1.85 N ATOM 828 CA PRO A 59 -13.718 2.251 -5.114 1.00 1.84 C ATOM 829 C PRO A 59 -13.958 1.079 -4.157 1.00 1.90 C ATOM 830 O PRO A 59 -13.708 -0.064 -4.485 1.00 2.05 O ATOM 831 CB PRO A 59 -14.767 2.255 -6.228 1.00 2.07 C ATOM 832 CG PRO A 59 -14.107 1.620 -7.407 1.00 2.39 C ATOM 833 CD PRO A 59 -12.609 1.895 -7.275 1.00 2.40 C ATOM 0 HA PRO A 59 -13.749 3.145 -4.491 1.00 1.84 H new ATOM 0 HB2 PRO A 59 -15.656 1.699 -5.931 1.00 2.07 H new ATOM 0 HB3 PRO A 59 -15.089 3.270 -6.459 1.00 2.07 H new ATOM 0 HG2 PRO A 59 -14.303 0.548 -7.429 1.00 2.39 H new ATOM 0 HG3 PRO A 59 -14.496 2.034 -8.337 1.00 2.39 H new ATOM 0 HD2 PRO A 59 -12.015 1.050 -7.623 1.00 2.40 H new ATOM 0 HD3 PRO A 59 -12.308 2.761 -7.865 1.00 2.40 H new ATOM 841 N VAL A 60 -14.437 1.356 -2.975 1.00 2.10 N ATOM 842 CA VAL A 60 -14.690 0.259 -1.999 1.00 2.46 C ATOM 843 C VAL A 60 -16.050 0.471 -1.331 1.00 2.53 C ATOM 844 O VAL A 60 -16.425 1.579 -1.003 1.00 2.50 O ATOM 845 CB VAL A 60 -13.591 0.263 -0.934 1.00 2.79 C ATOM 846 CG1 VAL A 60 -14.076 -0.496 0.303 1.00 3.08 C ATOM 847 CG2 VAL A 60 -12.338 -0.415 -1.491 1.00 2.93 C ATOM 0 H VAL A 60 -14.664 2.294 -2.643 1.00 2.10 H new ATOM 0 HA VAL A 60 -14.689 -0.698 -2.520 1.00 2.46 H new ATOM 0 HB VAL A 60 -13.355 1.291 -0.659 1.00 2.79 H new ATOM 0 HG11 VAL A 60 -13.293 -0.493 1.062 1.00 3.08 H new ATOM 0 HG12 VAL A 60 -14.968 -0.012 0.700 1.00 3.08 H new ATOM 0 HG13 VAL A 60 -14.312 -1.524 0.029 1.00 3.08 H new ATOM 0 HG21 VAL A 60 -11.555 -0.412 -0.733 1.00 2.93 H new ATOM 0 HG22 VAL A 60 -12.573 -1.443 -1.767 1.00 2.93 H new ATOM 0 HG23 VAL A 60 -11.992 0.127 -2.371 1.00 2.93 H new ATOM 857 N GLY A 61 -16.790 -0.583 -1.125 1.00 2.83 N ATOM 858 CA GLY A 61 -18.125 -0.443 -0.476 1.00 3.05 C ATOM 859 C GLY A 61 -18.061 -0.996 0.948 1.00 2.72 C ATOM 860 O GLY A 61 -17.814 -2.167 1.159 1.00 2.61 O ATOM 0 H GLY A 61 -16.528 -1.536 -1.378 1.00 2.83 H new ATOM 0 HA2 GLY A 61 -18.424 0.605 -0.457 1.00 3.05 H new ATOM 0 HA3 GLY A 61 -18.879 -0.979 -1.052 1.00 3.05 H new ATOM 864 N GLU A 62 -18.278 -0.163 1.929 1.00 3.03 N ATOM 865 CA GLU A 62 -18.229 -0.642 3.339 1.00 2.96 C ATOM 866 C GLU A 62 -19.008 -1.954 3.461 1.00 2.29 C ATOM 867 O GLU A 62 -20.148 -2.050 3.056 1.00 2.02 O ATOM 868 CB GLU A 62 -18.855 0.410 4.257 1.00 4.03 C ATOM 869 CG GLU A 62 -19.005 -0.167 5.666 1.00 4.32 C ATOM 870 CD GLU A 62 -20.441 -0.651 5.871 1.00 5.32 C ATOM 871 OE1 GLU A 62 -21.135 -0.818 4.881 1.00 6.05 O ATOM 872 OE2 GLU A 62 -20.823 -0.846 7.013 1.00 5.54 O ATOM 0 H GLU A 62 -18.487 0.829 1.815 1.00 3.03 H new ATOM 0 HA GLU A 62 -17.192 -0.808 3.630 1.00 2.96 H new ATOM 0 HB2 GLU A 62 -18.231 1.303 4.283 1.00 4.03 H new ATOM 0 HB3 GLU A 62 -19.828 0.712 3.871 1.00 4.03 H new ATOM 0 HG2 GLU A 62 -18.308 -0.993 5.808 1.00 4.32 H new ATOM 0 HG3 GLU A 62 -18.756 0.591 6.409 1.00 4.32 H new ATOM 879 N GLY A 63 -18.400 -2.966 4.020 1.00 2.54 N ATOM 880 CA GLY A 63 -19.107 -4.269 4.169 1.00 2.46 C ATOM 881 C GLY A 63 -18.437 -5.323 3.285 1.00 2.21 C ATOM 882 O GLY A 63 -18.505 -6.506 3.554 1.00 2.29 O ATOM 0 H GLY A 63 -17.446 -2.946 4.379 1.00 2.54 H new ATOM 0 HA2 GLY A 63 -19.086 -4.588 5.211 1.00 2.46 H new ATOM 0 HA3 GLY A 63 -20.155 -4.159 3.890 1.00 2.46 H new ATOM 886 N GLU A 64 -17.791 -4.905 2.231 1.00 2.23 N ATOM 887 CA GLU A 64 -17.121 -5.884 1.332 1.00 2.27 C ATOM 888 C GLU A 64 -15.624 -5.928 1.644 1.00 2.19 C ATOM 889 O GLU A 64 -15.121 -5.153 2.433 1.00 2.81 O ATOM 890 CB GLU A 64 -17.324 -5.456 -0.123 1.00 2.70 C ATOM 891 CG GLU A 64 -18.603 -6.093 -0.669 1.00 3.18 C ATOM 892 CD GLU A 64 -19.152 -5.238 -1.814 1.00 3.59 C ATOM 893 OE1 GLU A 64 -19.608 -4.140 -1.541 1.00 3.92 O ATOM 894 OE2 GLU A 64 -19.105 -5.696 -2.943 1.00 4.03 O ATOM 0 H GLU A 64 -17.699 -3.928 1.954 1.00 2.23 H new ATOM 0 HA GLU A 64 -17.552 -6.873 1.488 1.00 2.27 H new ATOM 0 HB2 GLU A 64 -17.390 -4.370 -0.188 1.00 2.70 H new ATOM 0 HB3 GLU A 64 -16.468 -5.760 -0.725 1.00 2.70 H new ATOM 0 HG2 GLU A 64 -18.396 -7.103 -1.022 1.00 3.18 H new ATOM 0 HG3 GLU A 64 -19.346 -6.178 0.124 1.00 3.18 H new ATOM 901 N SER A 65 -14.907 -6.831 1.032 1.00 1.71 N ATOM 902 CA SER A 65 -13.442 -6.925 1.293 1.00 1.83 C ATOM 903 C SER A 65 -12.686 -6.890 -0.037 1.00 1.49 C ATOM 904 O SER A 65 -12.993 -7.626 -0.954 1.00 1.87 O ATOM 905 CB SER A 65 -13.137 -8.234 2.021 1.00 2.37 C ATOM 906 OG SER A 65 -13.823 -8.251 3.266 1.00 2.91 O ATOM 0 H SER A 65 -15.272 -7.508 0.362 1.00 1.71 H new ATOM 0 HA SER A 65 -13.127 -6.085 1.912 1.00 1.83 H new ATOM 0 HB2 SER A 65 -13.446 -9.083 1.411 1.00 2.37 H new ATOM 0 HB3 SER A 65 -12.064 -8.332 2.183 1.00 2.37 H new ATOM 0 HG SER A 65 -13.630 -9.090 3.734 1.00 2.91 H new ATOM 912 N TYR A 66 -11.703 -6.040 -0.151 1.00 1.14 N ATOM 913 CA TYR A 66 -10.934 -5.956 -1.422 1.00 1.22 C ATOM 914 C TYR A 66 -9.575 -6.635 -1.245 1.00 1.63 C ATOM 915 O TYR A 66 -9.259 -7.148 -0.191 1.00 2.01 O ATOM 916 CB TYR A 66 -10.727 -4.485 -1.778 1.00 1.29 C ATOM 917 CG TYR A 66 -11.994 -3.931 -2.383 1.00 1.20 C ATOM 918 CD1 TYR A 66 -13.066 -3.576 -1.555 1.00 1.79 C ATOM 919 CD2 TYR A 66 -12.099 -3.772 -3.770 1.00 1.47 C ATOM 920 CE1 TYR A 66 -14.243 -3.065 -2.113 1.00 1.98 C ATOM 921 CE2 TYR A 66 -13.276 -3.260 -4.329 1.00 1.86 C ATOM 922 CZ TYR A 66 -14.348 -2.906 -3.500 1.00 1.87 C ATOM 923 OH TYR A 66 -15.508 -2.400 -4.051 1.00 2.38 O ATOM 0 H TYR A 66 -11.400 -5.400 0.583 1.00 1.14 H new ATOM 0 HA TYR A 66 -11.483 -6.457 -2.220 1.00 1.22 H new ATOM 0 HB2 TYR A 66 -10.459 -3.918 -0.886 1.00 1.29 H new ATOM 0 HB3 TYR A 66 -9.900 -4.383 -2.481 1.00 1.29 H new ATOM 0 HD1 TYR A 66 -12.984 -3.697 -0.485 1.00 1.79 H new ATOM 0 HD2 TYR A 66 -11.272 -4.044 -4.409 1.00 1.47 H new ATOM 0 HE1 TYR A 66 -15.070 -2.793 -1.474 1.00 1.98 H new ATOM 0 HE2 TYR A 66 -13.357 -3.138 -5.399 1.00 1.86 H new ATOM 0 HH TYR A 66 -15.333 -1.509 -4.420 1.00 2.38 H new ATOM 933 N VAL A 67 -8.768 -6.643 -2.272 1.00 1.69 N ATOM 934 CA VAL A 67 -7.430 -7.289 -2.166 1.00 2.07 C ATOM 935 C VAL A 67 -6.518 -6.771 -3.281 1.00 2.20 C ATOM 936 O VAL A 67 -6.956 -6.522 -4.387 1.00 2.22 O ATOM 937 CB VAL A 67 -7.587 -8.805 -2.299 1.00 2.37 C ATOM 938 CG1 VAL A 67 -7.599 -9.191 -3.780 1.00 2.61 C ATOM 939 CG2 VAL A 67 -6.415 -9.498 -1.602 1.00 2.54 C ATOM 0 H VAL A 67 -8.979 -6.229 -3.180 1.00 1.69 H new ATOM 0 HA VAL A 67 -6.988 -7.050 -1.199 1.00 2.07 H new ATOM 0 HB VAL A 67 -8.524 -9.116 -1.837 1.00 2.37 H new ATOM 0 HG11 VAL A 67 -7.711 -10.271 -3.874 1.00 2.61 H new ATOM 0 HG12 VAL A 67 -8.432 -8.695 -4.278 1.00 2.61 H new ATOM 0 HG13 VAL A 67 -6.663 -8.882 -4.244 1.00 2.61 H new ATOM 0 HG21 VAL A 67 -6.524 -10.579 -1.695 1.00 2.54 H new ATOM 0 HG22 VAL A 67 -5.480 -9.186 -2.067 1.00 2.54 H new ATOM 0 HG23 VAL A 67 -6.405 -9.224 -0.547 1.00 2.54 H new ATOM 949 N LEU A 68 -5.254 -6.605 -2.998 1.00 2.36 N ATOM 950 CA LEU A 68 -4.317 -6.102 -4.043 1.00 2.59 C ATOM 951 C LEU A 68 -3.130 -7.061 -4.170 1.00 2.17 C ATOM 952 O LEU A 68 -2.383 -7.262 -3.232 1.00 2.07 O ATOM 953 CB LEU A 68 -3.809 -4.716 -3.642 1.00 3.01 C ATOM 954 CG LEU A 68 -3.503 -3.892 -4.896 1.00 3.40 C ATOM 955 CD1 LEU A 68 -4.730 -3.060 -5.270 1.00 3.46 C ATOM 956 CD2 LEU A 68 -2.323 -2.958 -4.614 1.00 3.61 C ATOM 0 H LEU A 68 -4.830 -6.796 -2.090 1.00 2.36 H new ATOM 0 HA LEU A 68 -4.837 -6.039 -4.999 1.00 2.59 H new ATOM 0 HB2 LEU A 68 -4.557 -4.206 -3.035 1.00 3.01 H new ATOM 0 HB3 LEU A 68 -2.912 -4.811 -3.030 1.00 3.01 H new ATOM 0 HG LEU A 68 -3.252 -4.561 -5.719 1.00 3.40 H new ATOM 0 HD11 LEU A 68 -4.513 -2.473 -6.163 1.00 3.46 H new ATOM 0 HD12 LEU A 68 -5.573 -3.723 -5.467 1.00 3.46 H new ATOM 0 HD13 LEU A 68 -4.980 -2.390 -4.447 1.00 3.46 H new ATOM 0 HD21 LEU A 68 -2.103 -2.370 -5.505 1.00 3.61 H new ATOM 0 HD22 LEU A 68 -2.577 -2.289 -3.792 1.00 3.61 H new ATOM 0 HD23 LEU A 68 -1.448 -3.549 -4.344 1.00 3.61 H new ATOM 968 N SER A 69 -2.952 -7.649 -5.324 1.00 1.98 N ATOM 969 CA SER A 69 -1.813 -8.593 -5.521 1.00 1.66 C ATOM 970 C SER A 69 -0.783 -7.946 -6.450 1.00 1.53 C ATOM 971 O SER A 69 -0.900 -8.011 -7.658 1.00 1.60 O ATOM 972 CB SER A 69 -2.327 -9.888 -6.154 1.00 1.82 C ATOM 973 OG SER A 69 -3.372 -9.580 -7.067 1.00 2.27 O ATOM 0 H SER A 69 -3.548 -7.516 -6.141 1.00 1.98 H new ATOM 0 HA SER A 69 -1.352 -8.819 -4.560 1.00 1.66 H new ATOM 0 HB2 SER A 69 -1.516 -10.401 -6.671 1.00 1.82 H new ATOM 0 HB3 SER A 69 -2.691 -10.565 -5.381 1.00 1.82 H new ATOM 0 HG SER A 69 -3.703 -10.407 -7.476 1.00 2.27 H new ATOM 979 N PHE A 70 0.217 -7.307 -5.902 1.00 1.38 N ATOM 980 CA PHE A 70 1.231 -6.648 -6.775 1.00 1.30 C ATOM 981 C PHE A 70 2.419 -7.577 -7.031 1.00 1.23 C ATOM 982 O PHE A 70 2.813 -8.353 -6.183 1.00 1.40 O ATOM 983 CB PHE A 70 1.723 -5.346 -6.137 1.00 1.34 C ATOM 984 CG PHE A 70 2.078 -5.573 -4.688 1.00 1.31 C ATOM 985 CD1 PHE A 70 1.066 -5.744 -3.735 1.00 1.96 C ATOM 986 CD2 PHE A 70 3.421 -5.601 -4.298 1.00 1.23 C ATOM 987 CE1 PHE A 70 1.400 -5.944 -2.390 1.00 2.01 C ATOM 988 CE2 PHE A 70 3.754 -5.799 -2.952 1.00 1.35 C ATOM 989 CZ PHE A 70 2.744 -5.971 -2.000 1.00 1.48 C ATOM 0 H PHE A 70 0.374 -7.214 -4.899 1.00 1.38 H new ATOM 0 HA PHE A 70 0.753 -6.421 -7.728 1.00 1.30 H new ATOM 0 HB2 PHE A 70 2.594 -4.975 -6.678 1.00 1.34 H new ATOM 0 HB3 PHE A 70 0.950 -4.581 -6.213 1.00 1.34 H new ATOM 0 HD1 PHE A 70 0.029 -5.722 -4.037 1.00 1.96 H new ATOM 0 HD2 PHE A 70 4.200 -5.470 -5.034 1.00 1.23 H new ATOM 0 HE1 PHE A 70 0.621 -6.077 -1.654 1.00 2.01 H new ATOM 0 HE2 PHE A 70 4.791 -5.819 -2.649 1.00 1.35 H new ATOM 0 HZ PHE A 70 3.001 -6.125 -0.962 1.00 1.48 H new ATOM 999 N THR A 71 3.007 -7.478 -8.193 1.00 1.13 N ATOM 1000 CA THR A 71 4.191 -8.320 -8.519 1.00 1.16 C ATOM 1001 C THR A 71 5.451 -7.512 -8.209 1.00 1.11 C ATOM 1002 O THR A 71 5.728 -6.524 -8.859 1.00 1.39 O ATOM 1003 CB THR A 71 4.175 -8.657 -10.013 1.00 1.26 C ATOM 1004 OG1 THR A 71 3.671 -7.546 -10.738 1.00 1.15 O ATOM 1005 CG2 THR A 71 3.291 -9.878 -10.269 1.00 1.80 C ATOM 0 H THR A 71 2.714 -6.844 -8.936 1.00 1.13 H new ATOM 0 HA THR A 71 4.171 -9.241 -7.936 1.00 1.16 H new ATOM 0 HB THR A 71 5.190 -8.882 -10.340 1.00 1.26 H new ATOM 0 HG1 THR A 71 3.683 -6.750 -10.167 1.00 1.15 H new ATOM 0 HG21 THR A 71 3.288 -10.108 -11.335 1.00 1.80 H new ATOM 0 HG22 THR A 71 3.681 -10.732 -9.715 1.00 1.80 H new ATOM 0 HG23 THR A 71 2.274 -9.666 -9.940 1.00 1.80 H new ATOM 1013 N ALA A 72 6.217 -7.899 -7.226 1.00 0.96 N ATOM 1014 CA ALA A 72 7.440 -7.108 -6.915 1.00 0.87 C ATOM 1015 C ALA A 72 8.377 -7.895 -5.997 1.00 0.81 C ATOM 1016 O ALA A 72 7.958 -8.744 -5.236 1.00 0.85 O ATOM 1017 CB ALA A 72 7.035 -5.805 -6.223 1.00 0.81 C ATOM 0 H ALA A 72 6.053 -8.714 -6.634 1.00 0.96 H new ATOM 0 HA ALA A 72 7.963 -6.894 -7.847 1.00 0.87 H new ATOM 0 HB1 ALA A 72 7.927 -5.222 -5.993 1.00 0.81 H new ATOM 0 HB2 ALA A 72 6.386 -5.229 -6.883 1.00 0.81 H new ATOM 0 HB3 ALA A 72 6.503 -6.034 -5.299 1.00 0.81 H new ATOM 1023 N SER A 73 9.647 -7.600 -6.063 1.00 0.75 N ATOM 1024 CA SER A 73 10.633 -8.302 -5.195 1.00 0.72 C ATOM 1025 C SER A 73 11.449 -7.256 -4.434 1.00 0.64 C ATOM 1026 O SER A 73 11.675 -6.164 -4.918 1.00 0.84 O ATOM 1027 CB SER A 73 11.567 -9.148 -6.060 1.00 0.82 C ATOM 1028 OG SER A 73 11.709 -8.537 -7.336 1.00 0.93 O ATOM 0 H SER A 73 10.046 -6.898 -6.686 1.00 0.75 H new ATOM 0 HA SER A 73 10.112 -8.952 -4.492 1.00 0.72 H new ATOM 0 HB2 SER A 73 12.541 -9.242 -5.579 1.00 0.82 H new ATOM 0 HB3 SER A 73 11.166 -10.156 -6.169 1.00 0.82 H new ATOM 0 HG SER A 73 12.309 -9.077 -7.892 1.00 0.93 H new ATOM 1034 N ALA A 74 11.883 -7.571 -3.245 1.00 0.66 N ATOM 1035 CA ALA A 74 12.672 -6.580 -2.460 1.00 0.59 C ATOM 1036 C ALA A 74 14.112 -7.072 -2.293 1.00 0.61 C ATOM 1037 O ALA A 74 14.357 -8.158 -1.807 1.00 0.67 O ATOM 1038 CB ALA A 74 12.035 -6.401 -1.081 1.00 0.59 C ATOM 0 H ALA A 74 11.727 -8.468 -2.784 1.00 0.66 H new ATOM 0 HA ALA A 74 12.678 -5.628 -2.990 1.00 0.59 H new ATOM 0 HB1 ALA A 74 12.611 -5.676 -0.505 1.00 0.59 H new ATOM 0 HB2 ALA A 74 11.012 -6.042 -1.196 1.00 0.59 H new ATOM 0 HB3 ALA A 74 12.027 -7.357 -0.557 1.00 0.59 H new ATOM 1044 N THR A 75 15.066 -6.276 -2.689 1.00 0.62 N ATOM 1045 CA THR A 75 16.490 -6.682 -2.552 1.00 0.72 C ATOM 1046 C THR A 75 17.267 -5.536 -1.890 1.00 0.72 C ATOM 1047 O THR A 75 17.135 -4.397 -2.289 1.00 0.74 O ATOM 1048 CB THR A 75 17.069 -6.939 -3.943 1.00 0.85 C ATOM 1049 OG1 THR A 75 16.401 -6.115 -4.887 1.00 0.86 O ATOM 1050 CG2 THR A 75 16.883 -8.408 -4.330 1.00 0.97 C ATOM 0 H THR A 75 14.918 -5.356 -3.104 1.00 0.62 H new ATOM 0 HA THR A 75 16.567 -7.585 -1.947 1.00 0.72 H new ATOM 0 HB THR A 75 18.134 -6.707 -3.935 1.00 0.85 H new ATOM 0 HG1 THR A 75 16.770 -6.275 -5.780 1.00 0.86 H new ATOM 0 HG21 THR A 75 17.299 -8.578 -5.323 1.00 0.97 H new ATOM 0 HG22 THR A 75 17.396 -9.042 -3.607 1.00 0.97 H new ATOM 0 HG23 THR A 75 15.820 -8.651 -4.336 1.00 0.97 H new ATOM 1058 N PRO A 76 18.075 -5.814 -0.897 1.00 0.77 N ATOM 1059 CA PRO A 76 18.300 -7.185 -0.341 1.00 0.83 C ATOM 1060 C PRO A 76 17.115 -7.692 0.482 1.00 0.73 C ATOM 1061 O PRO A 76 17.271 -8.484 1.390 1.00 0.68 O ATOM 1062 CB PRO A 76 19.514 -7.028 0.576 1.00 0.97 C ATOM 1063 CG PRO A 76 20.052 -5.654 0.341 1.00 1.02 C ATOM 1064 CD PRO A 76 18.888 -4.822 -0.186 1.00 0.85 C ATOM 0 HA PRO A 76 18.438 -7.907 -1.146 1.00 0.83 H new ATOM 0 HB2 PRO A 76 19.230 -7.160 1.620 1.00 0.97 H new ATOM 0 HB3 PRO A 76 20.268 -7.783 0.353 1.00 0.97 H new ATOM 0 HG2 PRO A 76 20.448 -5.229 1.263 1.00 1.02 H new ATOM 0 HG3 PRO A 76 20.871 -5.675 -0.378 1.00 1.02 H new ATOM 0 HD2 PRO A 76 18.332 -4.347 0.622 1.00 0.85 H new ATOM 0 HD3 PRO A 76 19.227 -4.027 -0.850 1.00 0.85 H new ATOM 1072 N ASP A 77 15.948 -7.225 0.171 1.00 0.81 N ATOM 1073 CA ASP A 77 14.721 -7.647 0.915 1.00 0.76 C ATOM 1074 C ASP A 77 14.500 -6.714 2.107 1.00 0.72 C ATOM 1075 O ASP A 77 15.431 -6.146 2.638 1.00 0.78 O ATOM 1076 CB ASP A 77 14.868 -9.084 1.418 1.00 0.91 C ATOM 1077 CG ASP A 77 15.601 -9.927 0.373 1.00 1.09 C ATOM 1078 OD1 ASP A 77 15.155 -9.948 -0.762 1.00 1.30 O ATOM 1079 OD2 ASP A 77 16.597 -10.538 0.726 1.00 1.75 O ATOM 0 H ASP A 77 15.780 -6.556 -0.580 1.00 0.81 H new ATOM 0 HA ASP A 77 13.867 -7.595 0.240 1.00 0.76 H new ATOM 0 HB2 ASP A 77 15.419 -9.095 2.359 1.00 0.91 H new ATOM 0 HB3 ASP A 77 13.885 -9.511 1.619 1.00 0.91 H new ATOM 1084 N MET A 78 13.267 -6.564 2.518 1.00 0.75 N ATOM 1085 CA MET A 78 12.930 -5.676 3.673 1.00 0.87 C ATOM 1086 C MET A 78 11.431 -5.357 3.603 1.00 0.89 C ATOM 1087 O MET A 78 10.764 -5.726 2.657 1.00 0.93 O ATOM 1088 CB MET A 78 13.734 -4.369 3.589 1.00 1.01 C ATOM 1089 CG MET A 78 14.711 -4.247 4.770 1.00 1.19 C ATOM 1090 SD MET A 78 15.534 -5.829 5.095 1.00 1.83 S ATOM 1091 CE MET A 78 17.230 -5.262 4.824 1.00 2.16 C ATOM 0 H MET A 78 12.464 -7.028 2.094 1.00 0.75 H new ATOM 0 HA MET A 78 13.176 -6.175 4.610 1.00 0.87 H new ATOM 0 HB2 MET A 78 14.287 -4.338 2.650 1.00 1.01 H new ATOM 0 HB3 MET A 78 13.053 -3.518 3.586 1.00 1.01 H new ATOM 0 HG2 MET A 78 15.457 -3.482 4.553 1.00 1.19 H new ATOM 0 HG3 MET A 78 14.173 -3.923 5.661 1.00 1.19 H new ATOM 0 HE1 MET A 78 17.920 -6.092 4.975 1.00 2.16 H new ATOM 0 HE2 MET A 78 17.330 -4.887 3.805 1.00 2.16 H new ATOM 0 HE3 MET A 78 17.464 -4.464 5.529 1.00 2.16 H new ATOM 1101 N PRO A 79 10.899 -4.677 4.586 1.00 0.96 N ATOM 1102 CA PRO A 79 9.458 -4.311 4.615 1.00 1.04 C ATOM 1103 C PRO A 79 9.161 -3.061 3.781 1.00 1.13 C ATOM 1104 O PRO A 79 9.966 -2.155 3.696 1.00 1.28 O ATOM 1105 CB PRO A 79 9.163 -4.050 6.095 1.00 1.12 C ATOM 1106 CG PRO A 79 10.483 -3.943 6.799 1.00 1.38 C ATOM 1107 CD PRO A 79 11.597 -4.180 5.776 1.00 1.11 C ATOM 0 HA PRO A 79 8.838 -5.099 4.187 1.00 1.04 H new ATOM 0 HB2 PRO A 79 8.587 -3.133 6.216 1.00 1.12 H new ATOM 0 HB3 PRO A 79 8.567 -4.859 6.517 1.00 1.12 H new ATOM 0 HG2 PRO A 79 10.591 -2.959 7.256 1.00 1.38 H new ATOM 0 HG3 PRO A 79 10.544 -4.676 7.603 1.00 1.38 H new ATOM 0 HD2 PRO A 79 12.142 -3.261 5.562 1.00 1.11 H new ATOM 0 HD3 PRO A 79 12.325 -4.905 6.142 1.00 1.11 H new ATOM 1115 N VAL A 80 8.013 -3.008 3.163 1.00 1.13 N ATOM 1116 CA VAL A 80 7.668 -1.818 2.333 1.00 1.31 C ATOM 1117 C VAL A 80 6.499 -1.065 2.971 1.00 1.45 C ATOM 1118 O VAL A 80 5.748 -1.611 3.755 1.00 1.98 O ATOM 1119 CB VAL A 80 7.268 -2.272 0.928 1.00 1.56 C ATOM 1120 CG1 VAL A 80 8.336 -3.213 0.366 1.00 2.01 C ATOM 1121 CG2 VAL A 80 5.928 -3.009 0.994 1.00 1.79 C ATOM 0 H VAL A 80 7.299 -3.736 3.196 1.00 1.13 H new ATOM 0 HA VAL A 80 8.535 -1.160 2.273 1.00 1.31 H new ATOM 0 HB VAL A 80 7.176 -1.400 0.280 1.00 1.56 H new ATOM 0 HG11 VAL A 80 8.048 -3.534 -0.635 1.00 2.01 H new ATOM 0 HG12 VAL A 80 9.292 -2.691 0.318 1.00 2.01 H new ATOM 0 HG13 VAL A 80 8.430 -4.085 1.014 1.00 2.01 H new ATOM 0 HG21 VAL A 80 5.641 -3.333 -0.006 1.00 1.79 H new ATOM 0 HG22 VAL A 80 6.023 -3.879 1.644 1.00 1.79 H new ATOM 0 HG23 VAL A 80 5.164 -2.341 1.391 1.00 1.79 H new ATOM 1131 N ARG A 81 6.339 0.185 2.635 1.00 1.48 N ATOM 1132 CA ARG A 81 5.219 0.979 3.213 1.00 1.84 C ATOM 1133 C ARG A 81 4.187 1.266 2.119 1.00 2.04 C ATOM 1134 O ARG A 81 4.502 1.827 1.088 1.00 2.57 O ATOM 1135 CB ARG A 81 5.762 2.300 3.762 1.00 2.24 C ATOM 1136 CG ARG A 81 4.932 2.732 4.973 1.00 2.95 C ATOM 1137 CD ARG A 81 3.530 3.136 4.512 1.00 4.04 C ATOM 1138 NE ARG A 81 3.168 4.462 5.096 1.00 4.81 N ATOM 1139 CZ ARG A 81 3.432 4.735 6.346 1.00 5.14 C ATOM 1140 NH1 ARG A 81 3.948 3.826 7.126 1.00 4.94 N ATOM 1141 NH2 ARG A 81 3.158 5.919 6.823 1.00 6.01 N ATOM 0 H ARG A 81 6.938 0.692 1.983 1.00 1.48 H new ATOM 0 HA ARG A 81 4.749 0.417 4.020 1.00 1.84 H new ATOM 0 HB2 ARG A 81 6.808 2.185 4.047 1.00 2.24 H new ATOM 0 HB3 ARG A 81 5.725 3.069 2.990 1.00 2.24 H new ATOM 0 HG2 ARG A 81 4.869 1.917 5.694 1.00 2.95 H new ATOM 0 HG3 ARG A 81 5.415 3.568 5.479 1.00 2.95 H new ATOM 0 HD2 ARG A 81 3.495 3.186 3.424 1.00 4.04 H new ATOM 0 HD3 ARG A 81 2.805 2.383 4.820 1.00 4.04 H new ATOM 0 HE ARG A 81 2.710 5.162 4.513 1.00 4.81 H new ATOM 0 HH11 ARG A 81 4.148 2.895 6.761 1.00 4.94 H new ATOM 0 HH12 ARG A 81 4.152 4.046 8.101 1.00 4.94 H new ATOM 0 HH21 ARG A 81 2.739 6.627 6.220 1.00 6.01 H new ATOM 0 HH22 ARG A 81 3.363 6.136 7.798 1.00 6.01 H new ATOM 1155 N VAL A 82 2.959 0.882 2.332 1.00 2.00 N ATOM 1156 CA VAL A 82 1.913 1.130 1.303 1.00 2.41 C ATOM 1157 C VAL A 82 0.642 1.644 1.980 1.00 1.99 C ATOM 1158 O VAL A 82 0.349 1.305 3.110 1.00 1.85 O ATOM 1159 CB VAL A 82 1.611 -0.174 0.561 1.00 3.05 C ATOM 1160 CG1 VAL A 82 1.683 -1.346 1.541 1.00 3.76 C ATOM 1161 CG2 VAL A 82 0.208 -0.109 -0.045 1.00 3.57 C ATOM 0 H VAL A 82 2.635 0.407 3.175 1.00 2.00 H new ATOM 0 HA VAL A 82 2.269 1.876 0.593 1.00 2.41 H new ATOM 0 HB VAL A 82 2.344 -0.314 -0.234 1.00 3.05 H new ATOM 0 HG11 VAL A 82 1.468 -2.275 1.013 1.00 3.76 H new ATOM 0 HG12 VAL A 82 2.682 -1.397 1.974 1.00 3.76 H new ATOM 0 HG13 VAL A 82 0.950 -1.202 2.335 1.00 3.76 H new ATOM 0 HG21 VAL A 82 -0.004 -1.039 -0.573 1.00 3.57 H new ATOM 0 HG22 VAL A 82 -0.525 0.033 0.749 1.00 3.57 H new ATOM 0 HG23 VAL A 82 0.152 0.726 -0.744 1.00 3.57 H new ATOM 1171 N LEU A 83 -0.115 2.463 1.302 1.00 2.02 N ATOM 1172 CA LEU A 83 -1.364 3.001 1.913 1.00 1.82 C ATOM 1173 C LEU A 83 -2.435 3.170 0.832 1.00 1.64 C ATOM 1174 O LEU A 83 -2.142 3.519 -0.295 1.00 1.78 O ATOM 1175 CB LEU A 83 -1.073 4.357 2.558 1.00 2.29 C ATOM 1176 CG LEU A 83 -0.375 5.266 1.544 1.00 1.71 C ATOM 1177 CD1 LEU A 83 -1.375 6.289 1.003 1.00 1.99 C ATOM 1178 CD2 LEU A 83 0.782 5.997 2.228 1.00 1.42 C ATOM 0 H LEU A 83 0.077 2.783 0.353 1.00 2.02 H new ATOM 0 HA LEU A 83 -1.723 2.306 2.672 1.00 1.82 H new ATOM 0 HB2 LEU A 83 -2.001 4.817 2.896 1.00 2.29 H new ATOM 0 HB3 LEU A 83 -0.443 4.225 3.438 1.00 2.29 H new ATOM 0 HG LEU A 83 0.010 4.664 0.721 1.00 1.71 H new ATOM 0 HD11 LEU A 83 -0.878 6.937 0.281 1.00 1.99 H new ATOM 0 HD12 LEU A 83 -2.200 5.769 0.517 1.00 1.99 H new ATOM 0 HD13 LEU A 83 -1.760 6.891 1.826 1.00 1.99 H new ATOM 0 HD21 LEU A 83 1.280 6.645 1.507 1.00 1.42 H new ATOM 0 HD22 LEU A 83 0.396 6.599 3.051 1.00 1.42 H new ATOM 0 HD23 LEU A 83 1.495 5.269 2.614 1.00 1.42 H new ATOM 1190 N VAL A 84 -3.674 2.932 1.167 1.00 1.54 N ATOM 1191 CA VAL A 84 -4.761 3.085 0.157 1.00 1.53 C ATOM 1192 C VAL A 84 -6.072 3.447 0.858 1.00 1.46 C ATOM 1193 O VAL A 84 -6.300 3.089 1.997 1.00 1.51 O ATOM 1194 CB VAL A 84 -4.946 1.773 -0.607 1.00 1.58 C ATOM 1195 CG1 VAL A 84 -5.400 2.070 -2.036 1.00 1.89 C ATOM 1196 CG2 VAL A 84 -3.620 1.011 -0.642 1.00 1.84 C ATOM 0 H VAL A 84 -3.981 2.639 2.095 1.00 1.54 H new ATOM 0 HA VAL A 84 -4.488 3.878 -0.539 1.00 1.53 H new ATOM 0 HB VAL A 84 -5.701 1.167 -0.106 1.00 1.58 H new ATOM 0 HG11 VAL A 84 -5.531 1.134 -2.578 1.00 1.89 H new ATOM 0 HG12 VAL A 84 -6.346 2.611 -2.012 1.00 1.89 H new ATOM 0 HG13 VAL A 84 -4.647 2.678 -2.538 1.00 1.89 H new ATOM 0 HG21 VAL A 84 -3.752 0.076 -1.186 1.00 1.84 H new ATOM 0 HG22 VAL A 84 -2.865 1.618 -1.141 1.00 1.84 H new ATOM 0 HG23 VAL A 84 -3.297 0.795 0.377 1.00 1.84 H new ATOM 1206 N GLY A 85 -6.938 4.151 0.181 1.00 1.45 N ATOM 1207 CA GLY A 85 -8.237 4.537 0.800 1.00 1.49 C ATOM 1208 C GLY A 85 -8.836 5.718 0.033 1.00 1.17 C ATOM 1209 O GLY A 85 -8.813 5.757 -1.181 1.00 1.15 O ATOM 0 H GLY A 85 -6.801 4.476 -0.776 1.00 1.45 H new ATOM 0 HA2 GLY A 85 -8.925 3.692 0.783 1.00 1.49 H new ATOM 0 HA3 GLY A 85 -8.088 4.806 1.846 1.00 1.49 H new ATOM 1213 N GLU A 86 -9.371 6.681 0.732 1.00 1.14 N ATOM 1214 CA GLU A 86 -9.970 7.859 0.042 1.00 1.19 C ATOM 1215 C GLU A 86 -8.892 8.921 -0.181 1.00 1.21 C ATOM 1216 O GLU A 86 -7.712 8.657 -0.065 1.00 1.63 O ATOM 1217 CB GLU A 86 -11.090 8.442 0.907 1.00 1.44 C ATOM 1218 CG GLU A 86 -10.647 8.465 2.370 1.00 1.42 C ATOM 1219 CD GLU A 86 -11.538 9.425 3.159 1.00 1.91 C ATOM 1220 OE1 GLU A 86 -11.485 10.613 2.884 1.00 2.03 O ATOM 1221 OE2 GLU A 86 -12.259 8.957 4.024 1.00 2.54 O ATOM 0 H GLU A 86 -9.419 6.703 1.751 1.00 1.14 H new ATOM 0 HA GLU A 86 -10.379 7.548 -0.920 1.00 1.19 H new ATOM 0 HB2 GLU A 86 -11.333 9.451 0.574 1.00 1.44 H new ATOM 0 HB3 GLU A 86 -11.995 7.844 0.800 1.00 1.44 H new ATOM 0 HG2 GLU A 86 -10.708 7.463 2.795 1.00 1.42 H new ATOM 0 HG3 GLU A 86 -9.605 8.778 2.440 1.00 1.42 H new ATOM 1228 N GLY A 87 -9.287 10.123 -0.502 1.00 1.18 N ATOM 1229 CA GLY A 87 -8.285 11.200 -0.731 1.00 1.38 C ATOM 1230 C GLY A 87 -8.923 12.562 -0.448 1.00 1.20 C ATOM 1231 O GLY A 87 -8.845 13.473 -1.248 1.00 1.26 O ATOM 0 H GLY A 87 -10.261 10.405 -0.615 1.00 1.18 H new ATOM 0 HA2 GLY A 87 -7.421 11.050 -0.084 1.00 1.38 H new ATOM 0 HA3 GLY A 87 -7.924 11.162 -1.759 1.00 1.38 H new ATOM 1280 N ARG A 92 -9.398 8.917 7.039 1.00 2.28 N ATOM 1281 CA ARG A 92 -9.506 7.541 7.599 1.00 2.12 C ATOM 1282 C ARG A 92 -9.453 6.521 6.460 1.00 1.84 C ATOM 1283 O ARG A 92 -10.252 6.556 5.544 1.00 2.05 O ATOM 1284 CB ARG A 92 -10.832 7.399 8.349 1.00 2.02 C ATOM 1285 CG ARG A 92 -10.841 8.346 9.554 1.00 2.72 C ATOM 1286 CD ARG A 92 -11.873 7.875 10.583 1.00 3.19 C ATOM 1287 NE ARG A 92 -11.211 7.630 11.901 1.00 4.00 N ATOM 1288 CZ ARG A 92 -10.097 6.951 11.987 1.00 4.78 C ATOM 1289 NH1 ARG A 92 -9.573 6.400 10.926 1.00 4.91 N ATOM 1290 NH2 ARG A 92 -9.516 6.803 13.146 1.00 5.74 N ATOM 0 HA ARG A 92 -8.679 7.362 8.286 1.00 2.12 H new ATOM 0 HB2 ARG A 92 -11.665 7.631 7.685 1.00 2.02 H new ATOM 0 HB3 ARG A 92 -10.966 6.369 8.681 1.00 2.02 H new ATOM 0 HG2 ARG A 92 -9.851 8.379 10.009 1.00 2.72 H new ATOM 0 HG3 ARG A 92 -11.076 9.359 9.229 1.00 2.72 H new ATOM 0 HD2 ARG A 92 -12.655 8.626 10.694 1.00 3.19 H new ATOM 0 HD3 ARG A 92 -12.355 6.962 10.234 1.00 3.19 H new ATOM 0 HE ARG A 92 -11.637 8.000 12.751 1.00 4.00 H new ATOM 0 HH11 ARG A 92 -10.033 6.497 10.021 1.00 4.91 H new ATOM 0 HH12 ARG A 92 -8.704 5.872 11.002 1.00 4.91 H new ATOM 0 HH21 ARG A 92 -9.931 7.216 13.981 1.00 5.74 H new ATOM 0 HH22 ARG A 92 -8.647 6.274 13.217 1.00 5.74 H new ATOM 1304 N THR A 93 -8.520 5.612 6.508 1.00 1.67 N ATOM 1305 CA THR A 93 -8.417 4.590 5.428 1.00 1.74 C ATOM 1306 C THR A 93 -8.372 3.191 6.039 1.00 1.95 C ATOM 1307 O THR A 93 -8.189 3.024 7.228 1.00 2.27 O ATOM 1308 CB THR A 93 -7.138 4.817 4.620 1.00 1.70 C ATOM 1309 OG1 THR A 93 -6.664 3.570 4.134 1.00 2.15 O ATOM 1310 CG2 THR A 93 -6.072 5.454 5.514 1.00 1.74 C ATOM 0 H THR A 93 -7.823 5.532 7.249 1.00 1.67 H new ATOM 0 HA THR A 93 -9.286 4.679 4.777 1.00 1.74 H new ATOM 0 HB THR A 93 -7.350 5.481 3.782 1.00 1.70 H new ATOM 0 HG1 THR A 93 -6.603 3.602 3.156 1.00 2.15 H new ATOM 0 HG21 THR A 93 -5.162 5.615 4.937 1.00 1.74 H new ATOM 0 HG22 THR A 93 -6.437 6.410 5.890 1.00 1.74 H new ATOM 0 HG23 THR A 93 -5.857 4.792 6.353 1.00 1.74 H new ATOM 1318 N ALA A 94 -8.525 2.185 5.225 1.00 2.15 N ATOM 1319 CA ALA A 94 -8.478 0.791 5.742 1.00 2.71 C ATOM 1320 C ALA A 94 -7.194 0.128 5.244 1.00 2.70 C ATOM 1321 O ALA A 94 -6.703 -0.818 5.828 1.00 3.18 O ATOM 1322 CB ALA A 94 -9.691 0.012 5.232 1.00 3.28 C ATOM 0 H ALA A 94 -8.681 2.269 4.221 1.00 2.15 H new ATOM 0 HA ALA A 94 -8.494 0.798 6.832 1.00 2.71 H new ATOM 0 HB1 ALA A 94 -9.654 -1.009 5.612 1.00 3.28 H new ATOM 0 HB2 ALA A 94 -10.605 0.495 5.577 1.00 3.28 H new ATOM 0 HB3 ALA A 94 -9.680 -0.006 4.142 1.00 3.28 H new ATOM 1328 N PHE A 95 -6.644 0.622 4.168 1.00 2.24 N ATOM 1329 CA PHE A 95 -5.389 0.026 3.632 1.00 2.32 C ATOM 1330 C PHE A 95 -4.192 0.751 4.249 1.00 1.89 C ATOM 1331 O PHE A 95 -3.191 0.980 3.600 1.00 2.04 O ATOM 1332 CB PHE A 95 -5.361 0.202 2.116 1.00 2.74 C ATOM 1333 CG PHE A 95 -4.617 -0.944 1.471 1.00 2.97 C ATOM 1334 CD1 PHE A 95 -3.502 -1.509 2.102 1.00 3.34 C ATOM 1335 CD2 PHE A 95 -5.041 -1.435 0.231 1.00 3.27 C ATOM 1336 CE1 PHE A 95 -2.814 -2.566 1.492 1.00 3.65 C ATOM 1337 CE2 PHE A 95 -4.353 -2.489 -0.379 1.00 3.55 C ATOM 1338 CZ PHE A 95 -3.239 -3.055 0.251 1.00 3.60 C ATOM 0 H PHE A 95 -7.010 1.413 3.638 1.00 2.24 H new ATOM 0 HA PHE A 95 -5.344 -1.035 3.878 1.00 2.32 H new ATOM 0 HB2 PHE A 95 -6.379 0.248 1.729 1.00 2.74 H new ATOM 0 HB3 PHE A 95 -4.880 1.146 1.861 1.00 2.74 H new ATOM 0 HD1 PHE A 95 -3.173 -1.130 3.058 1.00 3.34 H new ATOM 0 HD2 PHE A 95 -5.901 -0.999 -0.256 1.00 3.27 H new ATOM 0 HE1 PHE A 95 -1.955 -3.004 1.979 1.00 3.65 H new ATOM 0 HE2 PHE A 95 -4.682 -2.866 -1.336 1.00 3.55 H new ATOM 0 HZ PHE A 95 -2.707 -3.869 -0.220 1.00 3.60 H new ATOM 1348 N GLU A 96 -4.289 1.127 5.494 1.00 1.92 N ATOM 1349 CA GLU A 96 -3.156 1.849 6.138 1.00 2.11 C ATOM 1350 C GLU A 96 -2.135 0.837 6.664 1.00 1.99 C ATOM 1351 O GLU A 96 -1.635 0.962 7.764 1.00 2.04 O ATOM 1352 CB GLU A 96 -3.685 2.692 7.300 1.00 2.46 C ATOM 1353 CG GLU A 96 -2.639 3.740 7.687 1.00 3.05 C ATOM 1354 CD GLU A 96 -2.823 4.128 9.155 1.00 3.87 C ATOM 1355 OE1 GLU A 96 -3.945 4.425 9.532 1.00 4.04 O ATOM 1356 OE2 GLU A 96 -1.840 4.122 9.877 1.00 4.60 O ATOM 0 H GLU A 96 -5.100 0.967 6.091 1.00 1.92 H new ATOM 0 HA GLU A 96 -2.676 2.498 5.406 1.00 2.11 H new ATOM 0 HB2 GLU A 96 -4.617 3.181 7.014 1.00 2.46 H new ATOM 0 HB3 GLU A 96 -3.909 2.053 8.154 1.00 2.46 H new ATOM 0 HG2 GLU A 96 -1.636 3.344 7.528 1.00 3.05 H new ATOM 0 HG3 GLU A 96 -2.739 4.620 7.052 1.00 3.05 H new ATOM 1363 N GLN A 97 -1.820 -0.162 5.886 1.00 2.12 N ATOM 1364 CA GLN A 97 -0.828 -1.175 6.344 1.00 2.35 C ATOM 1365 C GLN A 97 0.519 -0.906 5.670 1.00 2.76 C ATOM 1366 O GLN A 97 0.629 -0.902 4.460 1.00 3.44 O ATOM 1367 CB GLN A 97 -1.319 -2.577 5.972 1.00 2.59 C ATOM 1368 CG GLN A 97 -0.881 -2.915 4.545 1.00 2.67 C ATOM 1369 CD GLN A 97 -1.583 -4.193 4.086 1.00 2.83 C ATOM 1370 OE1 GLN A 97 -2.760 -4.180 3.785 1.00 2.75 O ATOM 1371 NE2 GLN A 97 -0.906 -5.307 4.017 1.00 3.46 N ATOM 0 H GLN A 97 -2.206 -0.320 4.955 1.00 2.12 H new ATOM 0 HA GLN A 97 -0.712 -1.110 7.426 1.00 2.35 H new ATOM 0 HB2 GLN A 97 -0.916 -3.311 6.670 1.00 2.59 H new ATOM 0 HB3 GLN A 97 -2.405 -2.625 6.050 1.00 2.59 H new ATOM 0 HG2 GLN A 97 -1.125 -2.092 3.874 1.00 2.67 H new ATOM 0 HG3 GLN A 97 0.200 -3.047 4.507 1.00 2.67 H new ATOM 0 HE21 GLN A 97 0.082 -5.320 4.269 1.00 3.46 H new ATOM 0 HE22 GLN A 97 -1.365 -6.165 3.711 1.00 3.46 H new ATOM 1380 N GLY A 98 1.545 -0.677 6.443 1.00 2.66 N ATOM 1381 CA GLY A 98 2.882 -0.405 5.845 1.00 3.12 C ATOM 1382 C GLY A 98 3.823 -1.575 6.139 1.00 2.94 C ATOM 1383 O GLY A 98 5.001 -1.524 5.845 1.00 3.67 O ATOM 0 H GLY A 98 1.515 -0.667 7.463 1.00 2.66 H new ATOM 0 HA2 GLY A 98 2.788 -0.262 4.768 1.00 3.12 H new ATOM 0 HA3 GLY A 98 3.294 0.518 6.254 1.00 3.12 H new ATOM 1387 N SER A 99 3.314 -2.629 6.716 1.00 2.31 N ATOM 1388 CA SER A 99 4.180 -3.799 7.027 1.00 2.54 C ATOM 1389 C SER A 99 3.999 -4.869 5.950 1.00 2.05 C ATOM 1390 O SER A 99 3.323 -5.858 6.151 1.00 1.87 O ATOM 1391 CB SER A 99 3.785 -4.373 8.388 1.00 3.04 C ATOM 1392 OG SER A 99 4.549 -3.739 9.404 1.00 3.79 O ATOM 0 H SER A 99 2.335 -2.730 6.985 1.00 2.31 H new ATOM 0 HA SER A 99 5.223 -3.484 7.052 1.00 2.54 H new ATOM 0 HB2 SER A 99 2.721 -4.217 8.566 1.00 3.04 H new ATOM 0 HB3 SER A 99 3.957 -5.449 8.406 1.00 3.04 H new ATOM 0 HG SER A 99 4.297 -4.103 10.278 1.00 3.79 H new ATOM 1398 N ALA A 100 4.597 -4.682 4.805 1.00 1.96 N ATOM 1399 CA ALA A 100 4.456 -5.691 3.717 1.00 1.63 C ATOM 1400 C ALA A 100 5.828 -6.292 3.398 1.00 1.41 C ATOM 1401 O ALA A 100 6.488 -5.890 2.462 1.00 1.39 O ATOM 1402 CB ALA A 100 3.890 -5.016 2.467 1.00 1.76 C ATOM 0 H ALA A 100 5.177 -3.875 4.576 1.00 1.96 H new ATOM 0 HA ALA A 100 3.780 -6.483 4.040 1.00 1.63 H new ATOM 0 HB1 ALA A 100 3.787 -5.753 1.671 1.00 1.76 H new ATOM 0 HB2 ALA A 100 2.914 -4.588 2.695 1.00 1.76 H new ATOM 0 HB3 ALA A 100 4.566 -4.225 2.143 1.00 1.76 H new ATOM 1408 N PRO A 101 6.247 -7.251 4.179 1.00 1.67 N ATOM 1409 CA PRO A 101 7.562 -7.932 3.991 1.00 1.70 C ATOM 1410 C PRO A 101 7.750 -8.447 2.562 1.00 1.06 C ATOM 1411 O PRO A 101 6.821 -8.911 1.931 1.00 1.45 O ATOM 1412 CB PRO A 101 7.517 -9.102 4.978 1.00 2.69 C ATOM 1413 CG PRO A 101 6.513 -8.718 6.013 1.00 2.97 C ATOM 1414 CD PRO A 101 5.507 -7.792 5.329 1.00 2.35 C ATOM 0 HA PRO A 101 8.395 -7.250 4.164 1.00 1.70 H new ATOM 0 HB2 PRO A 101 7.229 -10.026 4.477 1.00 2.69 H new ATOM 0 HB3 PRO A 101 8.496 -9.274 5.426 1.00 2.69 H new ATOM 0 HG2 PRO A 101 6.015 -9.600 6.415 1.00 2.97 H new ATOM 0 HG3 PRO A 101 6.995 -8.214 6.851 1.00 2.97 H new ATOM 0 HD2 PRO A 101 4.617 -8.335 5.011 1.00 2.35 H new ATOM 0 HD3 PRO A 101 5.175 -6.999 5.999 1.00 2.35 H new ATOM 1422 N LEU A 102 8.948 -8.371 2.047 1.00 0.99 N ATOM 1423 CA LEU A 102 9.194 -8.859 0.661 1.00 1.10 C ATOM 1424 C LEU A 102 10.577 -9.508 0.586 1.00 0.93 C ATOM 1425 O LEU A 102 11.464 -9.192 1.355 1.00 1.33 O ATOM 1426 CB LEU A 102 9.129 -7.682 -0.313 1.00 2.00 C ATOM 1427 CG LEU A 102 7.684 -7.478 -0.771 1.00 2.39 C ATOM 1428 CD1 LEU A 102 7.588 -6.199 -1.604 1.00 3.06 C ATOM 1429 CD2 LEU A 102 7.248 -8.674 -1.622 1.00 2.31 C ATOM 0 H LEU A 102 9.765 -7.993 2.526 1.00 0.99 H new ATOM 0 HA LEU A 102 8.434 -9.593 0.394 1.00 1.10 H new ATOM 0 HB2 LEU A 102 9.500 -6.777 0.168 1.00 2.00 H new ATOM 0 HB3 LEU A 102 9.771 -7.872 -1.173 1.00 2.00 H new ATOM 0 HG LEU A 102 7.034 -7.393 0.100 1.00 2.39 H new ATOM 0 HD11 LEU A 102 6.558 -6.054 -1.930 1.00 3.06 H new ATOM 0 HD12 LEU A 102 7.901 -5.347 -1.000 1.00 3.06 H new ATOM 0 HD13 LEU A 102 8.236 -6.283 -2.476 1.00 3.06 H new ATOM 0 HD21 LEU A 102 6.218 -8.531 -1.950 1.00 2.31 H new ATOM 0 HD22 LEU A 102 7.898 -8.757 -2.493 1.00 2.31 H new ATOM 0 HD23 LEU A 102 7.317 -9.586 -1.030 1.00 2.31 H new ATOM 1441 N THR A 103 10.769 -10.415 -0.333 1.00 1.21 N ATOM 1442 CA THR A 103 12.096 -11.083 -0.454 1.00 1.09 C ATOM 1443 C THR A 103 12.847 -10.518 -1.661 1.00 1.38 C ATOM 1444 O THR A 103 12.524 -9.462 -2.166 1.00 1.81 O ATOM 1445 CB THR A 103 11.893 -12.589 -0.638 1.00 1.79 C ATOM 1446 OG1 THR A 103 13.050 -13.150 -1.244 1.00 2.04 O ATOM 1447 CG2 THR A 103 10.675 -12.837 -1.530 1.00 2.34 C ATOM 0 H THR A 103 10.065 -10.722 -1.004 1.00 1.21 H new ATOM 0 HA THR A 103 12.677 -10.901 0.450 1.00 1.09 H new ATOM 0 HB THR A 103 11.729 -13.056 0.333 1.00 1.79 H new ATOM 0 HG1 THR A 103 13.738 -13.296 -0.562 1.00 2.04 H new ATOM 0 HG21 THR A 103 10.532 -13.910 -1.660 1.00 2.34 H new ATOM 0 HG22 THR A 103 9.789 -12.406 -1.064 1.00 2.34 H new ATOM 0 HG23 THR A 103 10.836 -12.372 -2.503 1.00 2.34 H new ATOM 1455 N GLY A 104 13.850 -11.212 -2.125 1.00 1.62 N ATOM 1456 CA GLY A 104 14.622 -10.711 -3.298 1.00 2.17 C ATOM 1457 C GLY A 104 14.192 -11.465 -4.556 1.00 1.60 C ATOM 1458 O GLY A 104 14.555 -11.110 -5.660 1.00 1.83 O ATOM 0 H GLY A 104 14.168 -12.103 -1.744 1.00 1.62 H new ATOM 0 HA2 GLY A 104 14.453 -9.642 -3.427 1.00 2.17 H new ATOM 0 HA3 GLY A 104 15.690 -10.847 -3.128 1.00 2.17 H new ATOM 1462 N GLU A 105 13.418 -12.504 -4.401 1.00 1.22 N ATOM 1463 CA GLU A 105 12.964 -13.279 -5.589 1.00 1.09 C ATOM 1464 C GLU A 105 11.536 -12.852 -5.946 1.00 1.06 C ATOM 1465 O GLU A 105 10.689 -12.736 -5.082 1.00 1.08 O ATOM 1466 CB GLU A 105 12.997 -14.776 -5.255 1.00 1.40 C ATOM 1467 CG GLU A 105 11.846 -15.499 -5.961 1.00 1.95 C ATOM 1468 CD GLU A 105 10.561 -15.329 -5.149 1.00 2.43 C ATOM 1469 OE1 GLU A 105 10.641 -14.795 -4.054 1.00 3.02 O ATOM 1470 OE2 GLU A 105 9.518 -15.736 -5.634 1.00 2.75 O ATOM 0 H GLU A 105 13.081 -12.849 -3.503 1.00 1.22 H new ATOM 0 HA GLU A 105 13.621 -13.087 -6.438 1.00 1.09 H new ATOM 0 HB2 GLU A 105 13.950 -15.205 -5.565 1.00 1.40 H new ATOM 0 HB3 GLU A 105 12.919 -14.918 -4.177 1.00 1.40 H new ATOM 0 HG2 GLU A 105 11.710 -15.096 -6.965 1.00 1.95 H new ATOM 0 HG3 GLU A 105 12.081 -16.558 -6.072 1.00 1.95 H new ATOM 1477 N PRO A 106 11.267 -12.619 -7.204 1.00 1.08 N ATOM 1478 CA PRO A 106 9.918 -12.200 -7.669 1.00 1.12 C ATOM 1479 C PRO A 106 8.799 -12.896 -6.893 1.00 1.24 C ATOM 1480 O PRO A 106 8.665 -14.103 -6.924 1.00 1.42 O ATOM 1481 CB PRO A 106 9.909 -12.625 -9.135 1.00 1.26 C ATOM 1482 CG PRO A 106 11.335 -12.562 -9.577 1.00 1.20 C ATOM 1483 CD PRO A 106 12.211 -12.731 -8.328 1.00 1.13 C ATOM 0 HA PRO A 106 9.740 -11.135 -7.522 1.00 1.12 H new ATOM 0 HB2 PRO A 106 9.507 -13.632 -9.249 1.00 1.26 H new ATOM 0 HB3 PRO A 106 9.283 -11.962 -9.732 1.00 1.26 H new ATOM 0 HG2 PRO A 106 11.547 -13.347 -10.303 1.00 1.20 H new ATOM 0 HG3 PRO A 106 11.543 -11.610 -10.066 1.00 1.20 H new ATOM 0 HD2 PRO A 106 12.719 -13.695 -8.326 1.00 1.13 H new ATOM 0 HD3 PRO A 106 12.983 -11.964 -8.277 1.00 1.13 H new ATOM 1491 N ALA A 107 7.996 -12.143 -6.194 1.00 1.17 N ATOM 1492 CA ALA A 107 6.889 -12.761 -5.412 1.00 1.31 C ATOM 1493 C ALA A 107 5.742 -11.761 -5.265 1.00 1.24 C ATOM 1494 O ALA A 107 5.951 -10.591 -5.006 1.00 1.04 O ATOM 1495 CB ALA A 107 7.403 -13.154 -4.026 1.00 1.37 C ATOM 0 H ALA A 107 8.058 -11.127 -6.130 1.00 1.17 H new ATOM 0 HA ALA A 107 6.530 -13.648 -5.933 1.00 1.31 H new ATOM 0 HB1 ALA A 107 6.594 -13.606 -3.453 1.00 1.37 H new ATOM 0 HB2 ALA A 107 8.218 -13.870 -4.130 1.00 1.37 H new ATOM 0 HB3 ALA A 107 7.764 -12.266 -3.506 1.00 1.37 H new ATOM 1501 N THR A 108 4.530 -12.213 -5.432 1.00 1.45 N ATOM 1502 CA THR A 108 3.364 -11.294 -5.302 1.00 1.43 C ATOM 1503 C THR A 108 2.861 -11.296 -3.860 1.00 1.38 C ATOM 1504 O THR A 108 2.987 -12.274 -3.149 1.00 1.47 O ATOM 1505 CB THR A 108 2.236 -11.770 -6.219 1.00 1.60 C ATOM 1506 OG1 THR A 108 2.314 -13.181 -6.369 1.00 1.72 O ATOM 1507 CG2 THR A 108 2.373 -11.102 -7.585 1.00 1.66 C ATOM 0 H THR A 108 4.296 -13.181 -5.653 1.00 1.45 H new ATOM 0 HA THR A 108 3.672 -10.287 -5.581 1.00 1.43 H new ATOM 0 HB THR A 108 1.274 -11.504 -5.782 1.00 1.60 H new ATOM 0 HG1 THR A 108 1.591 -13.488 -6.955 1.00 1.72 H new ATOM 0 HG21 THR A 108 1.569 -11.441 -8.238 1.00 1.66 H new ATOM 0 HG22 THR A 108 2.314 -10.020 -7.468 1.00 1.66 H new ATOM 0 HG23 THR A 108 3.334 -11.367 -8.025 1.00 1.66 H new ATOM 1515 N ARG A 109 2.262 -10.221 -3.430 1.00 1.33 N ATOM 1516 CA ARG A 109 1.719 -10.183 -2.046 1.00 1.32 C ATOM 1517 C ARG A 109 0.273 -9.708 -2.119 1.00 1.37 C ATOM 1518 O ARG A 109 -0.057 -8.817 -2.876 1.00 1.49 O ATOM 1519 CB ARG A 109 2.528 -9.227 -1.173 1.00 1.27 C ATOM 1520 CG ARG A 109 3.729 -9.968 -0.583 1.00 1.97 C ATOM 1521 CD ARG A 109 3.234 -11.094 0.329 1.00 2.63 C ATOM 1522 NE ARG A 109 3.959 -11.049 1.632 1.00 3.48 N ATOM 1523 CZ ARG A 109 5.248 -10.840 1.675 1.00 3.74 C ATOM 1524 NH1 ARG A 109 5.937 -10.735 0.572 1.00 3.39 N ATOM 1525 NH2 ARG A 109 5.854 -10.758 2.827 1.00 4.70 N ATOM 0 H ARG A 109 2.126 -9.370 -3.976 1.00 1.33 H new ATOM 0 HA ARG A 109 1.778 -11.177 -1.603 1.00 1.32 H new ATOM 0 HB2 ARG A 109 2.867 -8.376 -1.764 1.00 1.27 H new ATOM 0 HB3 ARG A 109 1.903 -8.831 -0.373 1.00 1.27 H new ATOM 0 HG2 ARG A 109 4.346 -10.378 -1.383 1.00 1.97 H new ATOM 0 HG3 ARG A 109 4.355 -9.277 -0.019 1.00 1.97 H new ATOM 0 HD2 ARG A 109 2.162 -10.993 0.496 1.00 2.63 H new ATOM 0 HD3 ARG A 109 3.392 -12.059 -0.152 1.00 2.63 H new ATOM 0 HE ARG A 109 3.442 -11.183 2.501 1.00 3.48 H new ATOM 0 HH11 ARG A 109 5.470 -10.816 -0.331 1.00 3.39 H new ATOM 0 HH12 ARG A 109 6.943 -10.572 0.613 1.00 3.39 H new ATOM 0 HH21 ARG A 109 5.322 -10.857 3.691 1.00 4.70 H new ATOM 0 HH22 ARG A 109 6.860 -10.595 2.863 1.00 4.70 H new ATOM 1539 N GLU A 110 -0.592 -10.306 -1.353 1.00 1.37 N ATOM 1540 CA GLU A 110 -2.025 -9.904 -1.402 1.00 1.51 C ATOM 1541 C GLU A 110 -2.497 -9.421 -0.031 1.00 1.50 C ATOM 1542 O GLU A 110 -2.511 -10.161 0.932 1.00 1.45 O ATOM 1543 CB GLU A 110 -2.871 -11.104 -1.832 1.00 1.79 C ATOM 1544 CG GLU A 110 -2.021 -12.049 -2.684 1.00 2.12 C ATOM 1545 CD GLU A 110 -0.993 -12.754 -1.796 1.00 2.63 C ATOM 1546 OE1 GLU A 110 -1.204 -12.790 -0.595 1.00 3.28 O ATOM 1547 OE2 GLU A 110 -0.014 -13.245 -2.332 1.00 2.69 O ATOM 0 H GLU A 110 -0.371 -11.054 -0.696 1.00 1.37 H new ATOM 0 HA GLU A 110 -2.136 -9.090 -2.118 1.00 1.51 H new ATOM 0 HB2 GLU A 110 -3.249 -11.629 -0.955 1.00 1.79 H new ATOM 0 HB3 GLU A 110 -3.738 -10.766 -2.400 1.00 1.79 H new ATOM 0 HG2 GLU A 110 -2.658 -12.785 -3.175 1.00 2.12 H new ATOM 0 HG3 GLU A 110 -1.515 -11.490 -3.471 1.00 2.12 H new ATOM 1554 N TYR A 111 -2.909 -8.187 0.053 1.00 1.66 N ATOM 1555 CA TYR A 111 -3.410 -7.656 1.349 1.00 1.81 C ATOM 1556 C TYR A 111 -4.894 -7.320 1.196 1.00 2.14 C ATOM 1557 O TYR A 111 -5.273 -6.500 0.383 1.00 2.42 O ATOM 1558 CB TYR A 111 -2.638 -6.393 1.738 1.00 1.87 C ATOM 1559 CG TYR A 111 -1.155 -6.608 1.534 1.00 1.94 C ATOM 1560 CD1 TYR A 111 -0.551 -7.803 1.944 1.00 2.76 C ATOM 1561 CD2 TYR A 111 -0.384 -5.603 0.940 1.00 1.82 C ATOM 1562 CE1 TYR A 111 0.823 -7.993 1.757 1.00 2.96 C ATOM 1563 CE2 TYR A 111 0.991 -5.793 0.753 1.00 2.00 C ATOM 1564 CZ TYR A 111 1.594 -6.987 1.162 1.00 2.36 C ATOM 1565 OH TYR A 111 2.949 -7.174 0.980 1.00 2.67 O ATOM 0 H TYR A 111 -2.920 -7.523 -0.721 1.00 1.66 H new ATOM 0 HA TYR A 111 -3.269 -8.404 2.129 1.00 1.81 H new ATOM 0 HB2 TYR A 111 -2.977 -5.550 1.136 1.00 1.87 H new ATOM 0 HB3 TYR A 111 -2.837 -6.142 2.780 1.00 1.87 H new ATOM 0 HD1 TYR A 111 -1.145 -8.578 2.405 1.00 2.76 H new ATOM 0 HD2 TYR A 111 -0.849 -4.680 0.626 1.00 1.82 H new ATOM 0 HE1 TYR A 111 1.288 -8.915 2.072 1.00 2.96 H new ATOM 0 HE2 TYR A 111 1.586 -5.018 0.293 1.00 2.00 H new ATOM 0 HH TYR A 111 3.250 -7.932 1.523 1.00 2.67 H new ATOM 1575 N ALA A 112 -5.740 -7.958 1.958 1.00 2.33 N ATOM 1576 CA ALA A 112 -7.196 -7.681 1.842 1.00 2.71 C ATOM 1577 C ALA A 112 -7.677 -6.897 3.064 1.00 2.50 C ATOM 1578 O ALA A 112 -7.189 -7.076 4.163 1.00 2.65 O ATOM 1579 CB ALA A 112 -7.961 -9.004 1.752 1.00 3.41 C ATOM 0 H ALA A 112 -5.484 -8.658 2.654 1.00 2.33 H new ATOM 0 HA ALA A 112 -7.377 -7.091 0.944 1.00 2.71 H new ATOM 0 HB1 ALA A 112 -9.029 -8.802 1.667 1.00 3.41 H new ATOM 0 HB2 ALA A 112 -7.626 -9.559 0.876 1.00 3.41 H new ATOM 0 HB3 ALA A 112 -7.774 -9.594 2.649 1.00 3.41 H new ATOM 1585 N PHE A 113 -8.635 -6.032 2.879 1.00 2.28 N ATOM 1586 CA PHE A 113 -9.156 -5.237 4.026 1.00 2.20 C ATOM 1587 C PHE A 113 -10.681 -5.335 4.058 1.00 1.67 C ATOM 1588 O PHE A 113 -11.308 -5.720 3.091 1.00 1.59 O ATOM 1589 CB PHE A 113 -8.740 -3.774 3.869 1.00 2.57 C ATOM 1590 CG PHE A 113 -8.614 -3.436 2.403 1.00 2.45 C ATOM 1591 CD1 PHE A 113 -7.618 -4.045 1.629 1.00 2.65 C ATOM 1592 CD2 PHE A 113 -9.492 -2.517 1.818 1.00 2.38 C ATOM 1593 CE1 PHE A 113 -7.500 -3.732 0.270 1.00 2.77 C ATOM 1594 CE2 PHE A 113 -9.374 -2.204 0.458 1.00 2.44 C ATOM 1595 CZ PHE A 113 -8.378 -2.812 -0.316 1.00 2.64 C ATOM 0 H PHE A 113 -9.080 -5.841 1.981 1.00 2.28 H new ATOM 0 HA PHE A 113 -8.745 -5.629 4.956 1.00 2.20 H new ATOM 0 HB2 PHE A 113 -9.477 -3.124 4.340 1.00 2.57 H new ATOM 0 HB3 PHE A 113 -7.791 -3.599 4.375 1.00 2.57 H new ATOM 0 HD1 PHE A 113 -6.942 -4.756 2.081 1.00 2.65 H new ATOM 0 HD2 PHE A 113 -10.261 -2.049 2.415 1.00 2.38 H new ATOM 0 HE1 PHE A 113 -6.731 -4.200 -0.327 1.00 2.77 H new ATOM 0 HE2 PHE A 113 -10.051 -1.494 0.006 1.00 2.44 H new ATOM 0 HZ PHE A 113 -8.287 -2.571 -1.365 1.00 2.64 H new ATOM 1605 N THR A 114 -11.283 -4.989 5.162 1.00 1.53 N ATOM 1606 CA THR A 114 -12.767 -5.065 5.258 1.00 1.47 C ATOM 1607 C THR A 114 -13.370 -3.682 5.004 1.00 1.85 C ATOM 1608 O THR A 114 -13.330 -2.812 5.851 1.00 2.23 O ATOM 1609 CB THR A 114 -13.159 -5.543 6.658 1.00 1.92 C ATOM 1610 OG1 THR A 114 -12.176 -5.120 7.592 1.00 2.12 O ATOM 1611 CG2 THR A 114 -13.255 -7.069 6.669 1.00 2.22 C ATOM 0 H THR A 114 -10.810 -4.657 6.003 1.00 1.53 H new ATOM 0 HA THR A 114 -13.144 -5.765 4.513 1.00 1.47 H new ATOM 0 HB THR A 114 -14.126 -5.120 6.931 1.00 1.92 H new ATOM 0 HG1 THR A 114 -12.426 -5.423 8.490 1.00 2.12 H new ATOM 0 HG21 THR A 114 -13.534 -7.409 7.666 1.00 2.22 H new ATOM 0 HG22 THR A 114 -14.009 -7.391 5.951 1.00 2.22 H new ATOM 0 HG23 THR A 114 -12.290 -7.496 6.397 1.00 2.22 H new ATOM 1619 N SER A 115 -13.932 -3.472 3.845 1.00 2.24 N ATOM 1620 CA SER A 115 -14.540 -2.147 3.542 1.00 2.93 C ATOM 1621 C SER A 115 -15.208 -1.597 4.803 1.00 3.67 C ATOM 1622 O SER A 115 -16.266 -2.042 5.200 1.00 4.11 O ATOM 1623 CB SER A 115 -15.584 -2.306 2.435 1.00 3.21 C ATOM 1624 OG SER A 115 -15.073 -3.171 1.430 1.00 4.06 O ATOM 0 H SER A 115 -13.996 -4.161 3.096 1.00 2.24 H new ATOM 0 HA SER A 115 -13.765 -1.456 3.210 1.00 2.93 H new ATOM 0 HB2 SER A 115 -16.508 -2.713 2.846 1.00 3.21 H new ATOM 0 HB3 SER A 115 -15.827 -1.334 2.006 1.00 3.21 H new ATOM 0 HG SER A 115 -14.566 -3.897 1.850 1.00 4.06 H new ATOM 1630 N ASN A 116 -14.598 -0.633 5.438 1.00 3.92 N ATOM 1631 CA ASN A 116 -15.199 -0.059 6.674 1.00 4.70 C ATOM 1632 C ASN A 116 -15.776 1.325 6.368 1.00 4.40 C ATOM 1633 O ASN A 116 -16.076 2.093 7.260 1.00 4.82 O ATOM 1634 CB ASN A 116 -14.122 0.066 7.755 1.00 5.27 C ATOM 1635 CG ASN A 116 -14.769 0.493 9.074 1.00 6.19 C ATOM 1636 OD1 ASN A 116 -14.581 1.605 9.524 1.00 6.51 O ATOM 1637 ND2 ASN A 116 -15.527 -0.351 9.717 1.00 6.86 N ATOM 0 H ASN A 116 -13.710 -0.219 5.154 1.00 3.92 H new ATOM 0 HA ASN A 116 -15.995 -0.714 7.027 1.00 4.70 H new ATOM 0 HB2 ASN A 116 -13.607 -0.886 7.882 1.00 5.27 H new ATOM 0 HB3 ASN A 116 -13.372 0.796 7.453 1.00 5.27 H new ATOM 0 HD21 ASN A 116 -15.962 -0.077 10.598 1.00 6.86 H new ATOM 0 HD22 ASN A 116 -15.685 -1.285 9.339 1.00 6.86 H new ATOM 1644 N LEU A 117 -15.932 1.649 5.114 1.00 3.81 N ATOM 1645 CA LEU A 117 -16.490 2.983 4.752 1.00 3.59 C ATOM 1646 C LEU A 117 -16.819 3.009 3.259 1.00 3.13 C ATOM 1647 O LEU A 117 -16.490 2.096 2.526 1.00 3.28 O ATOM 1648 CB LEU A 117 -15.460 4.069 5.072 1.00 3.83 C ATOM 1649 CG LEU A 117 -16.072 5.447 4.815 1.00 4.66 C ATOM 1650 CD1 LEU A 117 -15.565 6.433 5.869 1.00 5.12 C ATOM 1651 CD2 LEU A 117 -15.664 5.937 3.425 1.00 4.76 C ATOM 0 H LEU A 117 -15.697 1.048 4.324 1.00 3.81 H new ATOM 0 HA LEU A 117 -17.399 3.167 5.325 1.00 3.59 H new ATOM 0 HB2 LEU A 117 -15.143 3.989 6.112 1.00 3.83 H new ATOM 0 HB3 LEU A 117 -14.571 3.934 4.456 1.00 3.83 H new ATOM 0 HG LEU A 117 -17.158 5.377 4.871 1.00 4.66 H new ATOM 0 HD11 LEU A 117 -16.000 7.416 5.687 1.00 5.12 H new ATOM 0 HD12 LEU A 117 -15.854 6.086 6.861 1.00 5.12 H new ATOM 0 HD13 LEU A 117 -14.479 6.501 5.811 1.00 5.12 H new ATOM 0 HD21 LEU A 117 -16.101 6.919 3.243 1.00 4.76 H new ATOM 0 HD22 LEU A 117 -14.578 6.007 3.368 1.00 4.76 H new ATOM 0 HD23 LEU A 117 -16.023 5.235 2.672 1.00 4.76 H new ATOM 1663 N THR A 118 -17.467 4.043 2.800 1.00 3.12 N ATOM 1664 CA THR A 118 -17.818 4.122 1.355 1.00 3.08 C ATOM 1665 C THR A 118 -16.753 4.928 0.609 1.00 3.13 C ATOM 1666 O THR A 118 -16.582 6.110 0.835 1.00 3.70 O ATOM 1667 CB THR A 118 -19.176 4.809 1.201 1.00 3.62 C ATOM 1668 OG1 THR A 118 -19.360 5.733 2.265 1.00 4.06 O ATOM 1669 CG2 THR A 118 -20.288 3.760 1.236 1.00 4.04 C ATOM 0 H THR A 118 -17.769 4.838 3.364 1.00 3.12 H new ATOM 0 HA THR A 118 -17.866 3.116 0.938 1.00 3.08 H new ATOM 0 HB THR A 118 -19.210 5.338 0.249 1.00 3.62 H new ATOM 0 HG1 THR A 118 -20.229 6.176 2.167 1.00 4.06 H new ATOM 0 HG21 THR A 118 -21.255 4.251 1.126 1.00 4.04 H new ATOM 0 HG22 THR A 118 -20.146 3.052 0.420 1.00 4.04 H new ATOM 0 HG23 THR A 118 -20.257 3.228 2.187 1.00 4.04 H new ATOM 1677 N PHE A 119 -16.035 4.299 -0.281 1.00 2.76 N ATOM 1678 CA PHE A 119 -14.984 5.029 -1.045 1.00 3.07 C ATOM 1679 C PHE A 119 -15.418 5.162 -2.507 1.00 2.72 C ATOM 1680 O PHE A 119 -15.200 4.272 -3.306 1.00 2.65 O ATOM 1681 CB PHE A 119 -13.669 4.249 -0.976 1.00 3.53 C ATOM 1682 CG PHE A 119 -13.275 4.044 0.466 1.00 4.12 C ATOM 1683 CD1 PHE A 119 -13.872 3.024 1.217 1.00 4.47 C ATOM 1684 CD2 PHE A 119 -12.311 4.872 1.053 1.00 4.69 C ATOM 1685 CE1 PHE A 119 -13.503 2.832 2.555 1.00 5.10 C ATOM 1686 CE2 PHE A 119 -11.943 4.682 2.390 1.00 5.33 C ATOM 1687 CZ PHE A 119 -12.539 3.662 3.141 1.00 5.44 C ATOM 0 H PHE A 119 -16.131 3.310 -0.512 1.00 2.76 H new ATOM 0 HA PHE A 119 -14.843 6.020 -0.614 1.00 3.07 H new ATOM 0 HB2 PHE A 119 -13.780 3.285 -1.473 1.00 3.53 H new ATOM 0 HB3 PHE A 119 -12.885 4.792 -1.504 1.00 3.53 H new ATOM 0 HD1 PHE A 119 -14.617 2.386 0.765 1.00 4.47 H new ATOM 0 HD2 PHE A 119 -11.851 5.658 0.473 1.00 4.69 H new ATOM 0 HE1 PHE A 119 -13.962 2.044 3.134 1.00 5.10 H new ATOM 0 HE2 PHE A 119 -11.200 5.322 2.842 1.00 5.33 H new ATOM 0 HZ PHE A 119 -12.255 3.515 4.173 1.00 5.44 H new ATOM 1697 N PRO A 120 -16.029 6.262 -2.854 1.00 2.96 N ATOM 1698 CA PRO A 120 -16.504 6.512 -4.242 1.00 2.86 C ATOM 1699 C PRO A 120 -15.373 6.979 -5.166 1.00 3.02 C ATOM 1700 O PRO A 120 -14.366 7.486 -4.713 1.00 3.70 O ATOM 1701 CB PRO A 120 -17.545 7.618 -4.068 1.00 3.40 C ATOM 1702 CG PRO A 120 -17.133 8.363 -2.840 1.00 4.04 C ATOM 1703 CD PRO A 120 -16.338 7.391 -1.962 1.00 3.80 C ATOM 0 HA PRO A 120 -16.899 5.609 -4.708 1.00 2.86 H new ATOM 0 HB2 PRO A 120 -17.568 8.276 -4.937 1.00 3.40 H new ATOM 0 HB3 PRO A 120 -18.546 7.201 -3.957 1.00 3.40 H new ATOM 0 HG2 PRO A 120 -16.525 9.229 -3.102 1.00 4.04 H new ATOM 0 HG3 PRO A 120 -18.007 8.736 -2.306 1.00 4.04 H new ATOM 0 HD2 PRO A 120 -15.429 7.855 -1.578 1.00 3.80 H new ATOM 0 HD3 PRO A 120 -16.920 7.068 -1.099 1.00 3.80 H new ATOM 1711 N PRO A 121 -15.541 6.813 -6.452 1.00 2.87 N ATOM 1712 CA PRO A 121 -14.523 7.225 -7.456 1.00 3.45 C ATOM 1713 C PRO A 121 -14.586 8.725 -7.752 1.00 3.18 C ATOM 1714 O PRO A 121 -13.605 9.339 -8.121 1.00 3.79 O ATOM 1715 CB PRO A 121 -14.908 6.422 -8.697 1.00 3.90 C ATOM 1716 CG PRO A 121 -16.384 6.226 -8.589 1.00 3.47 C ATOM 1717 CD PRO A 121 -16.722 6.213 -7.095 1.00 2.74 C ATOM 0 HA PRO A 121 -13.506 7.040 -7.111 1.00 3.45 H new ATOM 0 HB2 PRO A 121 -14.647 6.957 -9.610 1.00 3.90 H new ATOM 0 HB3 PRO A 121 -14.384 5.467 -8.727 1.00 3.90 H new ATOM 0 HG2 PRO A 121 -16.918 7.027 -9.099 1.00 3.47 H new ATOM 0 HG3 PRO A 121 -16.685 5.291 -9.061 1.00 3.47 H new ATOM 0 HD2 PRO A 121 -17.624 6.788 -6.886 1.00 2.74 H new ATOM 0 HD3 PRO A 121 -16.899 5.199 -6.736 1.00 2.74 H new ATOM 1725 N ASP A 122 -15.738 9.319 -7.594 1.00 2.63 N ATOM 1726 CA ASP A 122 -15.869 10.777 -7.868 1.00 2.65 C ATOM 1727 C ASP A 122 -16.074 11.527 -6.551 1.00 2.94 C ATOM 1728 O ASP A 122 -15.823 11.006 -5.482 1.00 3.74 O ATOM 1729 CB ASP A 122 -17.070 11.017 -8.786 1.00 2.79 C ATOM 1730 CG ASP A 122 -18.297 10.300 -8.220 1.00 3.42 C ATOM 1731 OD1 ASP A 122 -18.125 9.490 -7.324 1.00 4.14 O ATOM 1732 OD2 ASP A 122 -19.388 10.573 -8.693 1.00 3.56 O ATOM 0 H ASP A 122 -16.594 8.857 -7.287 1.00 2.63 H new ATOM 0 HA ASP A 122 -14.963 11.139 -8.354 1.00 2.65 H new ATOM 0 HB2 ASP A 122 -17.268 12.085 -8.872 1.00 2.79 H new ATOM 0 HB3 ASP A 122 -16.853 10.651 -9.790 1.00 2.79 H new ATOM 1737 N GLY A 123 -16.530 12.747 -6.618 1.00 2.81 N ATOM 1738 CA GLY A 123 -16.750 13.531 -5.369 1.00 3.57 C ATOM 1739 C GLY A 123 -15.406 13.807 -4.694 1.00 3.16 C ATOM 1740 O GLY A 123 -14.389 13.253 -5.064 1.00 3.47 O ATOM 0 H GLY A 123 -16.760 13.236 -7.483 1.00 2.81 H new ATOM 0 HA2 GLY A 123 -17.252 14.470 -5.601 1.00 3.57 H new ATOM 0 HA3 GLY A 123 -17.402 12.980 -4.692 1.00 3.57 H new ATOM 1744 N ASP A 124 -15.391 14.660 -3.707 1.00 2.78 N ATOM 1745 CA ASP A 124 -14.110 14.971 -3.010 1.00 2.58 C ATOM 1746 C ASP A 124 -13.656 13.748 -2.210 1.00 2.15 C ATOM 1747 O ASP A 124 -13.253 13.856 -1.069 1.00 2.31 O ATOM 1748 CB ASP A 124 -14.321 16.153 -2.062 1.00 3.01 C ATOM 1749 CG ASP A 124 -15.383 17.090 -2.640 1.00 3.26 C ATOM 1750 OD1 ASP A 124 -16.538 16.700 -2.663 1.00 3.51 O ATOM 1751 OD2 ASP A 124 -15.022 18.180 -3.051 1.00 3.59 O ATOM 0 H ASP A 124 -16.209 15.155 -3.353 1.00 2.78 H new ATOM 0 HA ASP A 124 -13.347 15.227 -3.745 1.00 2.58 H new ATOM 0 HB2 ASP A 124 -14.633 15.794 -1.081 1.00 3.01 H new ATOM 0 HB3 ASP A 124 -13.384 16.692 -1.921 1.00 3.01 H new ATOM 1756 N ALA A 125 -13.717 12.585 -2.799 1.00 1.83 N ATOM 1757 CA ALA A 125 -13.289 11.358 -2.072 1.00 1.67 C ATOM 1758 C ALA A 125 -13.057 10.225 -3.073 1.00 1.39 C ATOM 1759 O ALA A 125 -13.630 9.160 -2.960 1.00 1.38 O ATOM 1760 CB ALA A 125 -14.378 10.947 -1.079 1.00 2.08 C ATOM 0 H ALA A 125 -14.045 12.432 -3.753 1.00 1.83 H new ATOM 0 HA ALA A 125 -12.364 11.560 -1.533 1.00 1.67 H new ATOM 0 HB1 ALA A 125 -14.065 10.049 -0.547 1.00 2.08 H new ATOM 0 HB2 ALA A 125 -14.542 11.754 -0.364 1.00 2.08 H new ATOM 0 HB3 ALA A 125 -15.304 10.745 -1.617 1.00 2.08 H new ATOM 1766 N PRO A 126 -12.220 10.460 -4.046 1.00 1.26 N ATOM 1767 CA PRO A 126 -11.896 9.451 -5.095 1.00 1.14 C ATOM 1768 C PRO A 126 -11.012 8.322 -4.558 1.00 1.05 C ATOM 1769 O PRO A 126 -10.958 8.074 -3.370 1.00 1.36 O ATOM 1770 CB PRO A 126 -11.148 10.257 -6.158 1.00 1.27 C ATOM 1771 CG PRO A 126 -10.566 11.426 -5.436 1.00 1.31 C ATOM 1772 CD PRO A 126 -11.489 11.720 -4.252 1.00 1.39 C ATOM 0 HA PRO A 126 -12.792 8.959 -5.474 1.00 1.14 H new ATOM 0 HB2 PRO A 126 -10.368 9.658 -6.628 1.00 1.27 H new ATOM 0 HB3 PRO A 126 -11.822 10.581 -6.951 1.00 1.27 H new ATOM 0 HG2 PRO A 126 -9.556 11.204 -5.092 1.00 1.31 H new ATOM 0 HG3 PRO A 126 -10.496 12.291 -6.095 1.00 1.31 H new ATOM 0 HD2 PRO A 126 -10.922 12.002 -3.365 1.00 1.39 H new ATOM 0 HD3 PRO A 126 -12.168 12.544 -4.471 1.00 1.39 H new ATOM 1780 N GLY A 127 -10.317 7.636 -5.424 1.00 1.02 N ATOM 1781 CA GLY A 127 -9.437 6.526 -4.963 1.00 1.03 C ATOM 1782 C GLY A 127 -8.064 7.084 -4.588 1.00 1.09 C ATOM 1783 O GLY A 127 -7.666 8.138 -5.043 1.00 1.19 O ATOM 0 H GLY A 127 -10.321 7.797 -6.431 1.00 1.02 H new ATOM 0 HA2 GLY A 127 -9.885 6.026 -4.104 1.00 1.03 H new ATOM 0 HA3 GLY A 127 -9.335 5.778 -5.750 1.00 1.03 H new ATOM 1787 N GLN A 128 -7.335 6.387 -3.759 1.00 1.12 N ATOM 1788 CA GLN A 128 -5.988 6.882 -3.357 1.00 1.26 C ATOM 1789 C GLN A 128 -5.019 5.702 -3.249 1.00 1.11 C ATOM 1790 O GLN A 128 -5.163 4.843 -2.404 1.00 1.11 O ATOM 1791 CB GLN A 128 -6.088 7.585 -2.002 1.00 1.53 C ATOM 1792 CG GLN A 128 -4.719 8.153 -1.619 1.00 1.64 C ATOM 1793 CD GLN A 128 -4.515 9.503 -2.310 1.00 1.87 C ATOM 1794 OE1 GLN A 128 -3.825 9.589 -3.307 1.00 2.01 O ATOM 1795 NE2 GLN A 128 -5.089 10.567 -1.820 1.00 1.99 N ATOM 0 H GLN A 128 -7.614 5.498 -3.344 1.00 1.12 H new ATOM 0 HA GLN A 128 -5.621 7.584 -4.106 1.00 1.26 H new ATOM 0 HB2 GLN A 128 -6.826 8.386 -2.050 1.00 1.53 H new ATOM 0 HB3 GLN A 128 -6.428 6.883 -1.241 1.00 1.53 H new ATOM 0 HG2 GLN A 128 -4.653 8.272 -0.538 1.00 1.64 H new ATOM 0 HG3 GLN A 128 -3.931 7.460 -1.912 1.00 1.64 H new ATOM 0 HE21 GLN A 128 -5.668 10.495 -0.983 1.00 1.99 H new ATOM 0 HE22 GLN A 128 -4.959 11.471 -2.274 1.00 1.99 H new ATOM 1804 N VAL A 129 -4.027 5.660 -4.097 1.00 1.03 N ATOM 1805 CA VAL A 129 -3.043 4.543 -4.043 1.00 0.91 C ATOM 1806 C VAL A 129 -1.632 5.126 -4.082 1.00 0.88 C ATOM 1807 O VAL A 129 -1.308 5.925 -4.938 1.00 1.00 O ATOM 1808 CB VAL A 129 -3.249 3.620 -5.248 1.00 0.94 C ATOM 1809 CG1 VAL A 129 -2.642 2.248 -4.951 1.00 1.28 C ATOM 1810 CG2 VAL A 129 -4.747 3.466 -5.521 1.00 0.89 C ATOM 0 H VAL A 129 -3.856 6.353 -4.826 1.00 1.03 H new ATOM 0 HA VAL A 129 -3.182 3.971 -3.126 1.00 0.91 H new ATOM 0 HB VAL A 129 -2.761 4.051 -6.123 1.00 0.94 H new ATOM 0 HG11 VAL A 129 -2.789 1.592 -5.809 1.00 1.28 H new ATOM 0 HG12 VAL A 129 -1.575 2.357 -4.756 1.00 1.28 H new ATOM 0 HG13 VAL A 129 -3.129 1.816 -4.076 1.00 1.28 H new ATOM 0 HG21 VAL A 129 -4.895 2.809 -6.378 1.00 0.89 H new ATOM 0 HG22 VAL A 129 -5.234 3.036 -4.646 1.00 0.89 H new ATOM 0 HG23 VAL A 129 -5.180 4.443 -5.733 1.00 0.89 H new ATOM 1820 N ALA A 130 -0.788 4.745 -3.163 1.00 0.78 N ATOM 1821 CA ALA A 130 0.595 5.300 -3.161 1.00 0.85 C ATOM 1822 C ALA A 130 1.541 4.352 -2.421 1.00 0.75 C ATOM 1823 O ALA A 130 1.427 4.151 -1.228 1.00 0.73 O ATOM 1824 CB ALA A 130 0.588 6.662 -2.466 1.00 0.98 C ATOM 0 H ALA A 130 -0.994 4.079 -2.419 1.00 0.78 H new ATOM 0 HA ALA A 130 0.940 5.411 -4.189 1.00 0.85 H new ATOM 0 HB1 ALA A 130 1.597 7.073 -2.461 1.00 0.98 H new ATOM 0 HB2 ALA A 130 -0.078 7.340 -3.001 1.00 0.98 H new ATOM 0 HB3 ALA A 130 0.239 6.545 -1.440 1.00 0.98 H new ATOM 1830 N PHE A 131 2.483 3.777 -3.119 1.00 0.75 N ATOM 1831 CA PHE A 131 3.444 2.853 -2.448 1.00 0.70 C ATOM 1832 C PHE A 131 4.667 3.657 -2.005 1.00 0.77 C ATOM 1833 O PHE A 131 5.355 4.248 -2.816 1.00 0.99 O ATOM 1834 CB PHE A 131 3.899 1.757 -3.417 1.00 0.70 C ATOM 1835 CG PHE A 131 2.813 0.721 -3.611 1.00 0.84 C ATOM 1836 CD1 PHE A 131 1.474 1.021 -3.326 1.00 1.29 C ATOM 1837 CD2 PHE A 131 3.155 -0.551 -4.087 1.00 1.49 C ATOM 1838 CE1 PHE A 131 0.482 0.051 -3.517 1.00 1.54 C ATOM 1839 CE2 PHE A 131 2.165 -1.521 -4.278 1.00 1.73 C ATOM 1840 CZ PHE A 131 0.828 -1.220 -3.992 1.00 1.48 C ATOM 0 H PHE A 131 2.629 3.906 -4.120 1.00 0.75 H new ATOM 0 HA PHE A 131 2.955 2.389 -1.592 1.00 0.70 H new ATOM 0 HB2 PHE A 131 4.159 2.201 -4.378 1.00 0.70 H new ATOM 0 HB3 PHE A 131 4.800 1.278 -3.033 1.00 0.70 H new ATOM 0 HD1 PHE A 131 1.207 2.001 -2.959 1.00 1.29 H new ATOM 0 HD2 PHE A 131 4.186 -0.784 -4.307 1.00 1.49 H new ATOM 0 HE1 PHE A 131 -0.550 0.283 -3.298 1.00 1.54 H new ATOM 0 HE2 PHE A 131 2.432 -2.501 -4.646 1.00 1.73 H new ATOM 0 HZ PHE A 131 0.063 -1.968 -4.138 1.00 1.48 H new ATOM 1850 N HIS A 132 4.944 3.690 -0.731 1.00 0.82 N ATOM 1851 CA HIS A 132 6.123 4.463 -0.248 1.00 0.96 C ATOM 1852 C HIS A 132 7.248 3.499 0.134 1.00 1.03 C ATOM 1853 O HIS A 132 7.056 2.581 0.907 1.00 1.41 O ATOM 1854 CB HIS A 132 5.722 5.292 0.975 1.00 1.41 C ATOM 1855 CG HIS A 132 4.927 6.488 0.530 1.00 1.36 C ATOM 1856 ND1 HIS A 132 4.378 7.387 1.431 1.00 1.70 N ATOM 1857 CD2 HIS A 132 4.578 6.948 -0.716 1.00 1.88 C ATOM 1858 CE1 HIS A 132 3.735 8.332 0.723 1.00 1.96 C ATOM 1859 NE2 HIS A 132 3.826 8.113 -0.592 1.00 2.32 N ATOM 0 H HIS A 132 4.407 3.216 -0.005 1.00 0.82 H new ATOM 0 HA HIS A 132 6.470 5.127 -1.040 1.00 0.96 H new ATOM 0 HB2 HIS A 132 5.132 4.685 1.662 1.00 1.41 H new ATOM 0 HB3 HIS A 132 6.611 5.614 1.517 1.00 1.41 H new ATOM 0 HD2 HIS A 132 4.846 6.477 -1.650 1.00 1.88 H new ATOM 0 HE1 HIS A 132 3.209 9.166 1.163 1.00 1.96 H new ATOM 0 HE2 HIS A 132 3.430 8.678 -1.343 1.00 2.32 H new ATOM 1867 N LEU A 133 8.421 3.701 -0.400 1.00 1.00 N ATOM 1868 CA LEU A 133 9.559 2.798 -0.065 1.00 1.39 C ATOM 1869 C LEU A 133 10.766 3.636 0.364 1.00 1.62 C ATOM 1870 O LEU A 133 11.532 3.243 1.219 1.00 2.04 O ATOM 1871 CB LEU A 133 9.931 1.963 -1.292 1.00 1.58 C ATOM 1872 CG LEU A 133 8.679 1.686 -2.127 1.00 1.41 C ATOM 1873 CD1 LEU A 133 8.332 2.925 -2.956 1.00 1.52 C ATOM 1874 CD2 LEU A 133 8.945 0.504 -3.062 1.00 2.11 C ATOM 0 H LEU A 133 8.641 4.452 -1.054 1.00 1.00 H new ATOM 0 HA LEU A 133 9.266 2.135 0.749 1.00 1.39 H new ATOM 0 HB2 LEU A 133 10.671 2.492 -1.893 1.00 1.58 H new ATOM 0 HB3 LEU A 133 10.387 1.023 -0.980 1.00 1.58 H new ATOM 0 HG LEU A 133 7.845 1.448 -1.466 1.00 1.41 H new ATOM 0 HD11 LEU A 133 7.440 2.727 -3.551 1.00 1.52 H new ATOM 0 HD12 LEU A 133 8.145 3.767 -2.290 1.00 1.52 H new ATOM 0 HD13 LEU A 133 9.164 3.164 -3.618 1.00 1.52 H new ATOM 0 HD21 LEU A 133 8.055 0.304 -3.658 1.00 2.11 H new ATOM 0 HD22 LEU A 133 9.778 0.743 -3.723 1.00 2.11 H new ATOM 0 HD23 LEU A 133 9.192 -0.378 -2.472 1.00 2.11 H new ATOM 1886 N GLY A 134 10.941 4.788 -0.225 1.00 1.46 N ATOM 1887 CA GLY A 134 12.099 5.652 0.146 1.00 1.77 C ATOM 1888 C GLY A 134 12.396 5.501 1.639 1.00 1.08 C ATOM 1889 O GLY A 134 11.526 5.656 2.473 1.00 0.83 O ATOM 0 H GLY A 134 10.331 5.169 -0.948 1.00 1.46 H new ATOM 0 HA2 GLY A 134 12.975 5.373 -0.439 1.00 1.77 H new ATOM 0 HA3 GLY A 134 11.878 6.693 -0.087 1.00 1.77 H new ATOM 1893 N LYS A 135 13.620 5.201 1.982 1.00 1.23 N ATOM 1894 CA LYS A 135 13.972 5.040 3.422 1.00 1.09 C ATOM 1895 C LYS A 135 15.492 5.015 3.582 1.00 1.32 C ATOM 1896 O LYS A 135 16.186 4.288 2.901 1.00 1.76 O ATOM 1897 CB LYS A 135 13.389 3.724 3.949 1.00 1.93 C ATOM 1898 CG LYS A 135 11.898 3.896 4.255 1.00 2.37 C ATOM 1899 CD LYS A 135 11.501 2.954 5.393 1.00 3.36 C ATOM 1900 CE LYS A 135 10.034 3.187 5.762 1.00 4.04 C ATOM 1901 NZ LYS A 135 9.338 1.875 5.883 1.00 5.06 N ATOM 0 H LYS A 135 14.390 5.061 1.328 1.00 1.23 H new ATOM 0 HA LYS A 135 13.560 5.877 3.986 1.00 1.09 H new ATOM 0 HB2 LYS A 135 13.528 2.934 3.211 1.00 1.93 H new ATOM 0 HB3 LYS A 135 13.920 3.416 4.850 1.00 1.93 H new ATOM 0 HG2 LYS A 135 11.689 4.929 4.534 1.00 2.37 H new ATOM 0 HG3 LYS A 135 11.306 3.680 3.366 1.00 2.37 H new ATOM 0 HD2 LYS A 135 11.650 1.918 5.090 1.00 3.36 H new ATOM 0 HD3 LYS A 135 12.137 3.127 6.261 1.00 3.36 H new ATOM 0 HE2 LYS A 135 9.967 3.734 6.702 1.00 4.04 H new ATOM 0 HE3 LYS A 135 9.549 3.799 5.001 1.00 4.04 H new ATOM 0 HZ1 LYS A 135 8.341 2.033 6.134 1.00 5.06 H new ATOM 0 HZ2 LYS A 135 9.391 1.369 4.976 1.00 5.06 H new ATOM 0 HZ3 LYS A 135 9.795 1.306 6.624 1.00 5.06 H new ATOM 1915 N ALA A 136 16.018 5.795 4.488 1.00 1.56 N ATOM 1916 CA ALA A 136 17.492 5.793 4.691 1.00 1.90 C ATOM 1917 C ALA A 136 17.978 4.347 4.624 1.00 2.22 C ATOM 1918 O ALA A 136 19.142 4.074 4.406 1.00 2.64 O ATOM 1919 CB ALA A 136 17.825 6.386 6.062 1.00 2.27 C ATOM 0 H ALA A 136 15.494 6.429 5.091 1.00 1.56 H new ATOM 0 HA ALA A 136 17.980 6.392 3.923 1.00 1.90 H new ATOM 0 HB1 ALA A 136 18.905 6.383 6.207 1.00 2.27 H new ATOM 0 HB2 ALA A 136 17.455 7.410 6.115 1.00 2.27 H new ATOM 0 HB3 ALA A 136 17.353 5.788 6.841 1.00 2.27 H new ATOM 1925 N GLY A 137 17.079 3.419 4.801 1.00 2.17 N ATOM 1926 CA GLY A 137 17.455 1.981 4.741 1.00 2.51 C ATOM 1927 C GLY A 137 16.569 1.282 3.708 1.00 1.81 C ATOM 1928 O GLY A 137 16.453 0.074 3.691 1.00 2.11 O ATOM 0 H GLY A 137 16.092 3.598 4.986 1.00 2.17 H new ATOM 0 HA2 GLY A 137 18.505 1.877 4.469 1.00 2.51 H new ATOM 0 HA3 GLY A 137 17.331 1.517 5.720 1.00 2.51 H new ATOM 1932 N ALA A 138 15.937 2.043 2.853 1.00 1.23 N ATOM 1933 CA ALA A 138 15.049 1.444 1.815 1.00 1.37 C ATOM 1934 C ALA A 138 15.789 0.342 1.049 1.00 1.13 C ATOM 1935 O ALA A 138 16.678 -0.303 1.565 1.00 1.41 O ATOM 1936 CB ALA A 138 14.612 2.535 0.837 1.00 2.32 C ATOM 0 H ALA A 138 15.999 3.061 2.830 1.00 1.23 H new ATOM 0 HA ALA A 138 14.177 1.008 2.303 1.00 1.37 H new ATOM 0 HB1 ALA A 138 13.963 2.103 0.076 1.00 2.32 H new ATOM 0 HB2 ALA A 138 14.071 3.312 1.377 1.00 2.32 H new ATOM 0 HB3 ALA A 138 15.491 2.969 0.360 1.00 2.32 H new ATOM 1942 N TYR A 139 15.419 0.116 -0.182 1.00 0.82 N ATOM 1943 CA TYR A 139 16.089 -0.954 -0.975 1.00 0.75 C ATOM 1944 C TYR A 139 15.619 -0.882 -2.431 1.00 0.76 C ATOM 1945 O TYR A 139 15.093 0.121 -2.872 1.00 0.83 O ATOM 1946 CB TYR A 139 15.716 -2.314 -0.381 1.00 0.74 C ATOM 1947 CG TYR A 139 14.291 -2.265 0.115 1.00 0.79 C ATOM 1948 CD1 TYR A 139 13.240 -2.591 -0.749 1.00 1.42 C ATOM 1949 CD2 TYR A 139 14.022 -1.885 1.435 1.00 1.41 C ATOM 1950 CE1 TYR A 139 11.918 -2.539 -0.292 1.00 1.61 C ATOM 1951 CE2 TYR A 139 12.701 -1.832 1.891 1.00 1.42 C ATOM 1952 CZ TYR A 139 11.648 -2.160 1.028 1.00 1.11 C ATOM 1953 OH TYR A 139 10.346 -2.107 1.478 1.00 1.32 O ATOM 0 H TYR A 139 14.683 0.625 -0.672 1.00 0.82 H new ATOM 0 HA TYR A 139 17.170 -0.820 -0.942 1.00 0.75 H new ATOM 0 HB2 TYR A 139 15.825 -3.095 -1.133 1.00 0.74 H new ATOM 0 HB3 TYR A 139 16.390 -2.564 0.438 1.00 0.74 H new ATOM 0 HD1 TYR A 139 13.449 -2.883 -1.768 1.00 1.42 H new ATOM 0 HD2 TYR A 139 14.834 -1.633 2.101 1.00 1.41 H new ATOM 0 HE1 TYR A 139 11.106 -2.791 -0.958 1.00 1.61 H new ATOM 0 HE2 TYR A 139 12.493 -1.538 2.909 1.00 1.42 H new ATOM 0 HH TYR A 139 10.330 -1.751 2.391 1.00 1.32 H new ATOM 1963 N GLU A 140 15.804 -1.933 -3.184 1.00 0.80 N ATOM 1964 CA GLU A 140 15.367 -1.916 -4.610 1.00 0.87 C ATOM 1965 C GLU A 140 13.956 -2.500 -4.725 1.00 0.77 C ATOM 1966 O GLU A 140 13.603 -3.437 -4.038 1.00 0.73 O ATOM 1967 CB GLU A 140 16.335 -2.752 -5.448 1.00 1.13 C ATOM 1968 CG GLU A 140 17.690 -2.046 -5.523 1.00 0.93 C ATOM 1969 CD GLU A 140 18.647 -2.667 -4.503 1.00 0.94 C ATOM 1970 OE1 GLU A 140 19.289 -3.647 -4.843 1.00 1.65 O ATOM 1971 OE2 GLU A 140 18.723 -2.152 -3.400 1.00 1.25 O ATOM 0 H GLU A 140 16.239 -2.802 -2.874 1.00 0.80 H new ATOM 0 HA GLU A 140 15.362 -0.889 -4.974 1.00 0.87 H new ATOM 0 HB2 GLU A 140 16.453 -3.742 -5.006 1.00 1.13 H new ATOM 0 HB3 GLU A 140 15.933 -2.896 -6.451 1.00 1.13 H new ATOM 0 HG2 GLU A 140 18.104 -2.136 -6.527 1.00 0.93 H new ATOM 0 HG3 GLU A 140 17.569 -0.981 -5.323 1.00 0.93 H new ATOM 1978 N PHE A 141 13.151 -1.950 -5.594 1.00 0.77 N ATOM 1979 CA PHE A 141 11.761 -2.468 -5.764 1.00 0.75 C ATOM 1980 C PHE A 141 11.509 -2.751 -7.248 1.00 0.72 C ATOM 1981 O PHE A 141 11.390 -1.842 -8.046 1.00 0.73 O ATOM 1982 CB PHE A 141 10.767 -1.414 -5.268 1.00 0.79 C ATOM 1983 CG PHE A 141 9.411 -2.044 -5.069 1.00 0.81 C ATOM 1984 CD1 PHE A 141 9.200 -2.933 -4.007 1.00 1.64 C ATOM 1985 CD2 PHE A 141 8.362 -1.738 -5.943 1.00 1.17 C ATOM 1986 CE1 PHE A 141 7.941 -3.516 -3.823 1.00 1.68 C ATOM 1987 CE2 PHE A 141 7.102 -2.320 -5.758 1.00 1.26 C ATOM 1988 CZ PHE A 141 6.892 -3.209 -4.698 1.00 1.00 C ATOM 0 H PHE A 141 13.396 -1.163 -6.195 1.00 0.77 H new ATOM 0 HA PHE A 141 11.634 -3.386 -5.191 1.00 0.75 H new ATOM 0 HB2 PHE A 141 11.118 -0.982 -4.331 1.00 0.79 H new ATOM 0 HB3 PHE A 141 10.697 -0.599 -5.988 1.00 0.79 H new ATOM 0 HD1 PHE A 141 10.008 -3.168 -3.331 1.00 1.64 H new ATOM 0 HD2 PHE A 141 8.524 -1.052 -6.761 1.00 1.17 H new ATOM 0 HE1 PHE A 141 7.779 -4.203 -3.006 1.00 1.68 H new ATOM 0 HE2 PHE A 141 6.293 -2.083 -6.433 1.00 1.26 H new ATOM 0 HZ PHE A 141 5.920 -3.658 -4.555 1.00 1.00 H new ATOM 1998 N CYS A 142 11.451 -3.998 -7.632 1.00 0.70 N ATOM 1999 CA CYS A 142 11.236 -4.324 -9.066 1.00 0.68 C ATOM 2000 C CYS A 142 9.845 -4.930 -9.289 1.00 0.68 C ATOM 2001 O CYS A 142 9.618 -6.094 -9.031 1.00 0.74 O ATOM 2002 CB CYS A 142 12.293 -5.339 -9.495 1.00 0.68 C ATOM 2003 SG CYS A 142 13.947 -4.655 -9.223 1.00 0.72 S ATOM 0 H CYS A 142 11.544 -4.803 -7.013 1.00 0.70 H new ATOM 0 HA CYS A 142 11.312 -3.408 -9.653 1.00 0.68 H new ATOM 0 HB2 CYS A 142 12.174 -6.263 -8.929 1.00 0.68 H new ATOM 0 HB3 CYS A 142 12.162 -5.591 -10.547 1.00 0.68 H new ATOM 2008 N ILE A 143 8.925 -4.156 -9.800 1.00 0.83 N ATOM 2009 CA ILE A 143 7.561 -4.690 -10.078 1.00 0.89 C ATOM 2010 C ILE A 143 7.271 -4.524 -11.564 1.00 0.92 C ATOM 2011 O ILE A 143 7.690 -3.574 -12.196 1.00 0.91 O ATOM 2012 CB ILE A 143 6.518 -3.955 -9.237 1.00 0.95 C ATOM 2013 CG1 ILE A 143 5.172 -3.910 -9.970 1.00 1.11 C ATOM 2014 CG2 ILE A 143 6.995 -2.531 -8.945 1.00 0.92 C ATOM 2015 CD1 ILE A 143 5.090 -2.649 -10.832 1.00 1.22 C ATOM 0 H ILE A 143 9.061 -3.173 -10.038 1.00 0.83 H new ATOM 0 HA ILE A 143 7.514 -5.746 -9.812 1.00 0.89 H new ATOM 0 HB ILE A 143 6.387 -4.492 -8.298 1.00 0.95 H new ATOM 0 HG12 ILE A 143 5.059 -4.796 -10.595 1.00 1.11 H new ATOM 0 HG13 ILE A 143 4.355 -3.922 -9.249 1.00 1.11 H new ATOM 0 HG21 ILE A 143 6.247 -2.013 -8.345 1.00 0.92 H new ATOM 0 HG22 ILE A 143 7.937 -2.568 -8.398 1.00 0.92 H new ATOM 0 HG23 ILE A 143 7.141 -1.997 -9.884 1.00 0.92 H new ATOM 0 HD11 ILE A 143 4.131 -2.624 -11.350 1.00 1.22 H new ATOM 0 HD12 ILE A 143 5.183 -1.768 -10.197 1.00 1.22 H new ATOM 0 HD13 ILE A 143 5.898 -2.656 -11.564 1.00 1.22 H new ATOM 2027 N SER A 144 6.573 -5.464 -12.123 1.00 1.00 N ATOM 2028 CA SER A 144 6.267 -5.397 -13.577 1.00 1.07 C ATOM 2029 C SER A 144 4.755 -5.413 -13.789 1.00 1.14 C ATOM 2030 O SER A 144 4.276 -5.209 -14.886 1.00 1.33 O ATOM 2031 CB SER A 144 6.890 -6.601 -14.283 1.00 1.17 C ATOM 2032 OG SER A 144 6.090 -7.750 -14.046 1.00 1.28 O ATOM 0 H SER A 144 6.199 -6.279 -11.637 1.00 1.00 H new ATOM 0 HA SER A 144 6.679 -4.476 -13.989 1.00 1.07 H new ATOM 0 HB2 SER A 144 6.965 -6.411 -15.354 1.00 1.17 H new ATOM 0 HB3 SER A 144 7.903 -6.767 -13.917 1.00 1.17 H new ATOM 0 HG SER A 144 6.486 -8.524 -14.499 1.00 1.28 H new ATOM 2038 N GLN A 145 3.995 -5.652 -12.758 1.00 1.08 N ATOM 2039 CA GLN A 145 2.516 -5.671 -12.949 1.00 1.29 C ATOM 2040 C GLN A 145 1.789 -5.692 -11.603 1.00 1.38 C ATOM 2041 O GLN A 145 2.394 -5.749 -10.551 1.00 1.99 O ATOM 2042 CB GLN A 145 2.124 -6.909 -13.760 1.00 1.40 C ATOM 2043 CG GLN A 145 2.420 -8.171 -12.948 1.00 1.94 C ATOM 2044 CD GLN A 145 1.887 -9.396 -13.696 1.00 2.35 C ATOM 2045 OE1 GLN A 145 1.959 -9.460 -14.907 1.00 2.30 O ATOM 2046 NE2 GLN A 145 1.350 -10.375 -13.020 1.00 3.30 N ATOM 0 H GLN A 145 4.323 -5.832 -11.809 1.00 1.08 H new ATOM 0 HA GLN A 145 2.225 -4.767 -13.483 1.00 1.29 H new ATOM 0 HB2 GLN A 145 1.065 -6.869 -14.015 1.00 1.40 H new ATOM 0 HB3 GLN A 145 2.677 -6.931 -14.699 1.00 1.40 H new ATOM 0 HG2 GLN A 145 3.494 -8.269 -12.786 1.00 1.94 H new ATOM 0 HG3 GLN A 145 1.955 -8.101 -11.965 1.00 1.94 H new ATOM 0 HE21 GLN A 145 1.290 -10.320 -12.003 1.00 3.30 H new ATOM 0 HE22 GLN A 145 0.990 -11.195 -13.509 1.00 3.30 H new ATOM 2055 N VAL A 146 0.483 -5.644 -11.642 1.00 1.54 N ATOM 2056 CA VAL A 146 -0.314 -5.659 -10.385 1.00 1.53 C ATOM 2057 C VAL A 146 -1.793 -5.835 -10.733 1.00 1.48 C ATOM 2058 O VAL A 146 -2.214 -5.569 -11.841 1.00 1.44 O ATOM 2059 CB VAL A 146 -0.117 -4.335 -9.644 1.00 1.59 C ATOM 2060 CG1 VAL A 146 -0.526 -3.175 -10.554 1.00 2.26 C ATOM 2061 CG2 VAL A 146 -0.983 -4.322 -8.382 1.00 2.16 C ATOM 0 H VAL A 146 -0.068 -5.595 -12.499 1.00 1.54 H new ATOM 0 HA VAL A 146 0.013 -6.482 -9.749 1.00 1.53 H new ATOM 0 HB VAL A 146 0.932 -4.227 -9.366 1.00 1.59 H new ATOM 0 HG11 VAL A 146 -0.386 -2.232 -10.026 1.00 2.26 H new ATOM 0 HG12 VAL A 146 0.090 -3.183 -11.453 1.00 2.26 H new ATOM 0 HG13 VAL A 146 -1.574 -3.283 -10.832 1.00 2.26 H new ATOM 0 HG21 VAL A 146 -0.843 -3.379 -7.854 1.00 2.16 H new ATOM 0 HG22 VAL A 146 -2.032 -4.430 -8.659 1.00 2.16 H new ATOM 0 HG23 VAL A 146 -0.692 -5.148 -7.733 1.00 2.16 H new ATOM 2071 N SER A 147 -2.589 -6.282 -9.800 1.00 1.63 N ATOM 2072 CA SER A 147 -4.037 -6.473 -10.089 1.00 1.76 C ATOM 2073 C SER A 147 -4.854 -6.234 -8.819 1.00 2.04 C ATOM 2074 O SER A 147 -4.348 -6.319 -7.717 1.00 2.17 O ATOM 2075 CB SER A 147 -4.273 -7.899 -10.587 1.00 2.02 C ATOM 2076 OG SER A 147 -3.259 -8.751 -10.072 1.00 2.76 O ATOM 0 H SER A 147 -2.299 -6.523 -8.852 1.00 1.63 H new ATOM 0 HA SER A 147 -4.348 -5.763 -10.855 1.00 1.76 H new ATOM 0 HB2 SER A 147 -5.255 -8.250 -10.269 1.00 2.02 H new ATOM 0 HB3 SER A 147 -4.264 -7.922 -11.677 1.00 2.02 H new ATOM 0 HG SER A 147 -3.426 -8.921 -9.121 1.00 2.76 H new ATOM 2082 N LEU A 148 -6.117 -5.937 -8.963 1.00 2.31 N ATOM 2083 CA LEU A 148 -6.969 -5.693 -7.766 1.00 2.65 C ATOM 2084 C LEU A 148 -8.373 -6.244 -8.020 1.00 2.54 C ATOM 2085 O LEU A 148 -8.806 -6.372 -9.148 1.00 3.02 O ATOM 2086 CB LEU A 148 -7.053 -4.187 -7.498 1.00 3.24 C ATOM 2087 CG LEU A 148 -8.165 -3.575 -8.353 1.00 3.51 C ATOM 2088 CD1 LEU A 148 -9.484 -3.612 -7.580 1.00 4.57 C ATOM 2089 CD2 LEU A 148 -7.810 -2.124 -8.684 1.00 3.26 C ATOM 0 H LEU A 148 -6.596 -5.853 -9.860 1.00 2.31 H new ATOM 0 HA LEU A 148 -6.533 -6.193 -6.901 1.00 2.65 H new ATOM 0 HB2 LEU A 148 -7.251 -4.006 -6.442 1.00 3.24 H new ATOM 0 HB3 LEU A 148 -6.099 -3.712 -7.729 1.00 3.24 H new ATOM 0 HG LEU A 148 -8.270 -4.146 -9.276 1.00 3.51 H new ATOM 0 HD11 LEU A 148 -10.275 -3.176 -8.190 1.00 4.57 H new ATOM 0 HD12 LEU A 148 -9.737 -4.645 -7.342 1.00 4.57 H new ATOM 0 HD13 LEU A 148 -9.381 -3.041 -6.657 1.00 4.57 H new ATOM 0 HD21 LEU A 148 -8.601 -1.686 -9.293 1.00 3.26 H new ATOM 0 HD22 LEU A 148 -7.706 -1.555 -7.760 1.00 3.26 H new ATOM 0 HD23 LEU A 148 -6.870 -2.096 -9.235 1.00 3.26 H new ATOM 2101 N THR A 149 -9.090 -6.574 -6.980 1.00 2.09 N ATOM 2102 CA THR A 149 -10.465 -7.116 -7.164 1.00 2.24 C ATOM 2103 C THR A 149 -10.985 -7.655 -5.831 1.00 1.93 C ATOM 2104 O THR A 149 -10.435 -7.382 -4.783 1.00 1.84 O ATOM 2105 CB THR A 149 -10.432 -8.247 -8.195 1.00 2.53 C ATOM 2106 OG1 THR A 149 -11.521 -9.130 -7.960 1.00 3.07 O ATOM 2107 CG2 THR A 149 -9.115 -9.015 -8.072 1.00 2.42 C ATOM 0 H THR A 149 -8.782 -6.491 -6.011 1.00 2.09 H new ATOM 0 HA THR A 149 -11.125 -6.322 -7.515 1.00 2.24 H new ATOM 0 HB THR A 149 -10.512 -7.828 -9.198 1.00 2.53 H new ATOM 0 HG1 THR A 149 -12.063 -9.205 -8.773 1.00 3.07 H new ATOM 0 HG21 THR A 149 -9.093 -9.820 -8.807 1.00 2.42 H new ATOM 0 HG22 THR A 149 -8.280 -8.337 -8.251 1.00 2.42 H new ATOM 0 HG23 THR A 149 -9.032 -9.436 -7.070 1.00 2.42 H new ATOM 2115 N THR A 150 -12.041 -8.420 -5.861 1.00 1.92 N ATOM 2116 CA THR A 150 -12.596 -8.976 -4.595 1.00 1.72 C ATOM 2117 C THR A 150 -12.730 -10.495 -4.720 1.00 1.75 C ATOM 2118 O THR A 150 -11.766 -11.195 -4.959 1.00 2.00 O ATOM 2119 CB THR A 150 -13.973 -8.363 -4.327 1.00 1.59 C ATOM 2120 OG1 THR A 150 -14.548 -8.976 -3.182 1.00 1.52 O ATOM 2121 CG2 THR A 150 -14.879 -8.589 -5.539 1.00 1.66 C ATOM 0 H THR A 150 -12.544 -8.684 -6.708 1.00 1.92 H new ATOM 0 HA THR A 150 -11.925 -8.737 -3.770 1.00 1.72 H new ATOM 0 HB THR A 150 -13.866 -7.293 -4.151 1.00 1.59 H new ATOM 0 HG1 THR A 150 -14.135 -8.610 -2.372 1.00 1.52 H new ATOM 0 HG21 THR A 150 -15.859 -8.152 -5.347 1.00 1.66 H new ATOM 0 HG22 THR A 150 -14.437 -8.117 -6.417 1.00 1.66 H new ATOM 0 HG23 THR A 150 -14.987 -9.659 -5.718 1.00 1.66 H new