USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1007 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 82 ASN : amide:sc= -0.632 X(o=0.16,f=0.56) USER MOD Set 1.2: A 86 SER OG : rot -60:sc= 0.792 USER MOD Set 2.1: A 45 TYR OH : rot -34:sc= 0.846 USER MOD Set 2.2: A 57 THR OG1 : rot 76:sc= 1.98 USER MOD Set 3.1: A 17 SER OG : rot 102:sc= 0.909 USER MOD Set 3.2: A 20 GLN : amide:sc= -0.244 K(o=0.67,f=-0.64) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 7 SER OG : rot -26:sc= 0.13 USER MOD Single : A 8 SER OG : rot -2:sc= -0.0671 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.173 USER MOD Single : A 12 HIS : no HE2:sc= -0.0081 K(o=-0.0081,f=-1.2) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0.155 X(o=0.16,f=-0.1) USER MOD Single : A 21 LYS NZ :NH3+ -125:sc= 0.782 (180deg=-0.0346) USER MOD Single : A 26 LYS NZ :NH3+ -124:sc= 1.21 (180deg=-0.843) USER MOD Single : A 27 MET CE :methyl 160:sc= -0.101 (180deg=-0.829) USER MOD Single : A 28 LYS NZ :NH3+ -172:sc= 1.26 (180deg=1.11) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -164:sc=-0.00456 (180deg=-0.148) USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= -0.0228 (180deg=-0.221) USER MOD Single : A 35 LYS NZ :NH3+ 158:sc= -0.284! (180deg=-0.434!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.439 USER MOD Single : A 53 LYS NZ :NH3+ 132:sc= -0.0545 (180deg=-0.366) USER MOD Single : A 54 LYS NZ :NH3+ -137:sc= 2.27 (180deg=1.27) USER MOD Single : A 59 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.17) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 161:sc= 1.28 (180deg=1.15) USER MOD Single : A 70 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-0.73) USER MOD Single : A 76 LYS NZ :NH3+ -176:sc= 1.01 (180deg=0.916) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 161:sc= -0.0856 (180deg=-0.497) USER MOD Single : A 89 SER OG : rot 180:sc= -0.02 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -174:sc= 1.11 (180deg=1.07) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc=-0.00962 X(o=-0.0096,f=-0.012) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.29) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 166:sc= -0.0415 (180deg=-0.317) USER MOD Single : A 122 LYS NZ :NH3+ -141:sc= -1.1 (180deg=-3.29!) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N PHE A 3 -2.683 5.606 -11.119 1.00 1.08 N ATOM 106 CA PHE A 3 -2.690 5.014 -9.787 1.00 0.89 C ATOM 107 C PHE A 3 -2.086 5.980 -8.779 1.00 0.90 C ATOM 108 O PHE A 3 -1.046 5.702 -8.186 1.00 1.22 O ATOM 109 CB PHE A 3 -1.898 3.702 -9.767 1.00 0.94 C ATOM 110 CG PHE A 3 -2.539 2.576 -10.526 1.00 0.86 C ATOM 111 CD1 PHE A 3 -3.505 1.784 -9.927 1.00 0.90 C ATOM 112 CD2 PHE A 3 -2.161 2.299 -11.828 1.00 0.97 C ATOM 113 CE1 PHE A 3 -4.085 0.739 -10.617 1.00 0.97 C ATOM 114 CE2 PHE A 3 -2.738 1.255 -12.523 1.00 0.99 C ATOM 115 CZ PHE A 3 -3.702 0.474 -11.916 1.00 0.96 C ATOM 0 HA PHE A 3 -3.726 4.805 -9.519 1.00 0.89 H new ATOM 0 HB2 PHE A 3 -0.906 3.885 -10.181 1.00 0.94 H new ATOM 0 HB3 PHE A 3 -1.759 3.392 -8.731 1.00 0.94 H new ATOM 0 HD1 PHE A 3 -3.807 1.986 -8.910 1.00 0.90 H new ATOM 0 HD2 PHE A 3 -1.406 2.906 -12.306 1.00 0.97 H new ATOM 0 HE1 PHE A 3 -4.838 0.129 -10.141 1.00 0.97 H new ATOM 0 HE2 PHE A 3 -2.436 1.049 -13.539 1.00 0.99 H new ATOM 0 HZ PHE A 3 -4.155 -0.343 -12.457 1.00 0.96 H new ATOM 125 N THR A 4 -2.722 7.125 -8.595 1.00 0.74 N ATOM 126 CA THR A 4 -2.236 8.117 -7.657 1.00 0.76 C ATOM 127 C THR A 4 -2.750 7.838 -6.251 1.00 0.71 C ATOM 128 O THR A 4 -3.680 7.050 -6.060 1.00 0.76 O ATOM 129 CB THR A 4 -2.644 9.535 -8.099 1.00 0.77 C ATOM 130 OG1 THR A 4 -4.030 9.563 -8.465 1.00 0.68 O ATOM 131 CG2 THR A 4 -1.794 9.997 -9.273 1.00 0.96 C ATOM 0 H THR A 4 -3.577 7.389 -9.085 1.00 0.74 H new ATOM 0 HA THR A 4 -1.148 8.056 -7.644 1.00 0.76 H new ATOM 0 HB THR A 4 -2.482 10.212 -7.260 1.00 0.77 H new ATOM 0 HG1 THR A 4 -4.277 10.470 -8.742 1.00 0.68 H new ATOM 0 HG21 THR A 4 -2.098 11.001 -9.570 1.00 0.96 H new ATOM 0 HG22 THR A 4 -0.744 10.008 -8.980 1.00 0.96 H new ATOM 0 HG23 THR A 4 -1.930 9.314 -10.112 1.00 0.96 H new ATOM 139 N LEU A 5 -2.122 8.469 -5.268 1.00 0.74 N ATOM 140 CA LEU A 5 -2.470 8.262 -3.869 1.00 0.77 C ATOM 141 C LEU A 5 -3.816 8.882 -3.521 1.00 0.67 C ATOM 142 O LEU A 5 -4.504 8.408 -2.619 1.00 0.73 O ATOM 143 CB LEU A 5 -1.402 8.873 -2.961 1.00 0.91 C ATOM 144 CG LEU A 5 0.022 8.374 -3.189 1.00 1.02 C ATOM 145 CD1 LEU A 5 0.987 9.132 -2.297 1.00 1.67 C ATOM 146 CD2 LEU A 5 0.118 6.878 -2.930 1.00 1.67 C ATOM 0 H LEU A 5 -1.363 9.134 -5.416 1.00 0.74 H new ATOM 0 HA LEU A 5 -2.530 7.185 -3.712 1.00 0.77 H new ATOM 0 HB2 LEU A 5 -1.414 9.955 -3.093 1.00 0.91 H new ATOM 0 HB3 LEU A 5 -1.675 8.675 -1.925 1.00 0.91 H new ATOM 0 HG LEU A 5 0.290 8.554 -4.230 1.00 1.02 H new ATOM 0 HD11 LEU A 5 2.001 8.769 -2.467 1.00 1.67 H new ATOM 0 HD12 LEU A 5 0.939 10.196 -2.530 1.00 1.67 H new ATOM 0 HD13 LEU A 5 0.716 8.976 -1.253 1.00 1.67 H new ATOM 0 HD21 LEU A 5 1.142 6.545 -3.099 1.00 1.67 H new ATOM 0 HD22 LEU A 5 -0.167 6.668 -1.899 1.00 1.67 H new ATOM 0 HD23 LEU A 5 -0.552 6.348 -3.607 1.00 1.67 H new ATOM 158 N GLU A 6 -4.198 9.916 -4.261 1.00 0.60 N ATOM 159 CA GLU A 6 -5.553 10.439 -4.205 1.00 0.58 C ATOM 160 C GLU A 6 -6.504 9.323 -4.603 1.00 0.59 C ATOM 161 O GLU A 6 -7.516 9.134 -3.930 1.00 0.61 O ATOM 162 CB GLU A 6 -5.701 11.642 -5.133 1.00 0.62 C ATOM 163 CG GLU A 6 -4.758 12.787 -4.797 1.00 0.87 C ATOM 164 CD GLU A 6 -3.422 12.715 -5.523 1.00 1.35 C ATOM 165 OE1 GLU A 6 -2.884 11.602 -5.705 1.00 1.80 O ATOM 166 OE2 GLU A 6 -2.895 13.782 -5.902 1.00 1.68 O ATOM 0 H GLU A 6 -3.584 10.409 -4.909 1.00 0.60 H new ATOM 0 HA GLU A 6 -5.786 10.779 -3.196 1.00 0.58 H new ATOM 0 HB2 GLU A 6 -5.521 11.323 -6.160 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -6.729 12.003 -5.086 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -5.245 13.731 -5.044 1.00 0.87 H new ATOM 0 HG3 GLU A 6 -4.577 12.793 -3.722 1.00 0.87 H new ATOM 173 N SER A 7 -6.222 8.585 -5.666 1.00 0.59 N ATOM 174 CA SER A 7 -7.123 7.535 -6.130 1.00 0.63 C ATOM 175 C SER A 7 -7.436 6.500 -5.042 1.00 0.62 C ATOM 176 O SER A 7 -8.397 5.741 -5.175 1.00 0.78 O ATOM 177 CB SER A 7 -6.521 6.843 -7.356 1.00 0.67 C ATOM 178 OG SER A 7 -7.431 5.921 -7.934 1.00 1.14 O ATOM 0 H SER A 7 -5.376 8.692 -6.226 1.00 0.59 H new ATOM 0 HA SER A 7 -8.067 8.011 -6.395 1.00 0.63 H new ATOM 0 HB2 SER A 7 -6.241 7.592 -8.097 1.00 0.67 H new ATOM 0 HB3 SER A 7 -5.608 6.322 -7.069 1.00 0.67 H new ATOM 0 HG SER A 7 -8.057 5.606 -7.249 1.00 1.14 H new ATOM 184 N SER A 8 -6.630 6.435 -3.982 1.00 0.53 N ATOM 185 CA SER A 8 -6.869 5.476 -2.913 1.00 0.52 C ATOM 186 C SER A 8 -7.564 6.051 -1.669 1.00 0.48 C ATOM 187 O SER A 8 -8.062 5.289 -0.847 1.00 0.48 O ATOM 188 CB SER A 8 -5.578 4.767 -2.516 1.00 0.57 C ATOM 189 OG SER A 8 -4.557 5.695 -2.183 1.00 1.02 O ATOM 0 H SER A 8 -5.814 7.031 -3.845 1.00 0.53 H new ATOM 0 HA SER A 8 -7.573 4.759 -3.336 1.00 0.52 H new ATOM 0 HB2 SER A 8 -5.768 4.112 -1.665 1.00 0.57 H new ATOM 0 HB3 SER A 8 -5.242 4.134 -3.337 1.00 0.57 H new ATOM 0 HG SER A 8 -4.887 6.608 -2.319 1.00 1.02 H new ATOM 195 N LEU A 9 -7.541 7.379 -1.496 1.00 0.47 N ATOM 196 CA LEU A 9 -7.781 7.997 -0.185 1.00 0.46 C ATOM 197 C LEU A 9 -9.105 7.666 0.507 1.00 0.46 C ATOM 198 O LEU A 9 -9.218 7.715 1.730 1.00 0.42 O ATOM 199 CB LEU A 9 -7.624 9.495 -0.296 1.00 0.49 C ATOM 200 CG LEU A 9 -6.234 9.947 -0.707 1.00 0.49 C ATOM 201 CD1 LEU A 9 -6.275 11.402 -1.083 1.00 1.04 C ATOM 202 CD2 LEU A 9 -5.224 9.692 0.408 1.00 0.78 C ATOM 0 H LEU A 9 -7.359 8.046 -2.246 1.00 0.47 H new ATOM 0 HA LEU A 9 -7.027 7.550 0.463 1.00 0.46 H new ATOM 0 HB2 LEU A 9 -8.345 9.872 -1.021 1.00 0.49 H new ATOM 0 HB3 LEU A 9 -7.872 9.947 0.664 1.00 0.49 H new ATOM 0 HG LEU A 9 -5.911 9.368 -1.572 1.00 0.49 H new ATOM 0 HD11 LEU A 9 -5.278 11.730 -1.379 1.00 1.04 H new ATOM 0 HD12 LEU A 9 -6.965 11.544 -1.915 1.00 1.04 H new ATOM 0 HD13 LEU A 9 -6.611 11.989 -0.229 1.00 1.04 H new ATOM 0 HD21 LEU A 9 -4.237 10.025 0.088 1.00 0.78 H new ATOM 0 HD22 LEU A 9 -5.521 10.243 1.301 1.00 0.78 H new ATOM 0 HD23 LEU A 9 -5.192 8.626 0.633 1.00 0.78 H new ATOM 214 N ASP A 10 -10.099 7.359 -0.310 1.00 0.51 N ATOM 215 CA ASP A 10 -11.402 6.953 0.210 1.00 0.53 C ATOM 216 C ASP A 10 -11.622 5.467 0.033 1.00 0.54 C ATOM 217 O ASP A 10 -12.694 4.948 0.343 1.00 0.57 O ATOM 218 CB ASP A 10 -12.523 7.727 -0.486 1.00 0.57 C ATOM 219 CG ASP A 10 -12.597 9.171 -0.035 1.00 0.78 C ATOM 220 OD1 ASP A 10 -11.901 10.020 -0.632 1.00 1.32 O ATOM 221 OD2 ASP A 10 -13.341 9.464 0.927 1.00 0.77 O ATOM 0 H ASP A 10 -10.034 7.381 -1.328 1.00 0.51 H new ATOM 0 HA ASP A 10 -11.418 7.181 1.276 1.00 0.53 H new ATOM 0 HB2 ASP A 10 -12.368 7.694 -1.564 1.00 0.57 H new ATOM 0 HB3 ASP A 10 -13.476 7.238 -0.286 1.00 0.57 H new ATOM 226 N THR A 11 -10.611 4.781 -0.457 1.00 0.54 N ATOM 227 CA THR A 11 -10.702 3.353 -0.649 1.00 0.56 C ATOM 228 C THR A 11 -9.560 2.612 0.050 1.00 0.53 C ATOM 229 O THR A 11 -9.623 2.321 1.242 1.00 0.53 O ATOM 230 CB THR A 11 -10.733 2.978 -2.147 1.00 0.62 C ATOM 231 OG1 THR A 11 -9.668 3.640 -2.848 1.00 0.59 O ATOM 232 CG2 THR A 11 -12.070 3.347 -2.776 1.00 0.69 C ATOM 0 H THR A 11 -9.718 5.191 -0.729 1.00 0.54 H new ATOM 0 HA THR A 11 -11.643 3.041 -0.196 1.00 0.56 H new ATOM 0 HB THR A 11 -10.600 1.899 -2.226 1.00 0.62 H new ATOM 0 HG1 THR A 11 -9.697 3.393 -3.796 1.00 0.59 H new ATOM 0 HG21 THR A 11 -12.064 3.072 -3.831 1.00 0.69 H new ATOM 0 HG22 THR A 11 -12.872 2.813 -2.266 1.00 0.69 H new ATOM 0 HG23 THR A 11 -12.232 4.421 -2.682 1.00 0.69 H new ATOM 240 N HIS A 12 -8.518 2.318 -0.715 1.00 0.51 N ATOM 241 CA HIS A 12 -7.378 1.570 -0.192 1.00 0.49 C ATOM 242 C HIS A 12 -6.696 2.312 0.959 1.00 0.43 C ATOM 243 O HIS A 12 -6.294 1.692 1.941 1.00 0.43 O ATOM 244 CB HIS A 12 -6.391 1.236 -1.307 1.00 0.49 C ATOM 245 CG HIS A 12 -7.036 0.522 -2.454 1.00 0.57 C ATOM 246 ND1 HIS A 12 -7.696 -0.680 -2.319 1.00 1.50 N ATOM 247 CD2 HIS A 12 -7.154 0.867 -3.757 1.00 0.90 C ATOM 248 CE1 HIS A 12 -8.191 -1.041 -3.487 1.00 1.34 C ATOM 249 NE2 HIS A 12 -7.877 -0.121 -4.375 1.00 0.66 N ATOM 0 H HIS A 12 -8.436 2.584 -1.696 1.00 0.51 H new ATOM 0 HA HIS A 12 -7.754 0.631 0.214 1.00 0.49 H new ATOM 0 HB2 HIS A 12 -5.933 2.156 -1.669 1.00 0.49 H new ATOM 0 HB3 HIS A 12 -5.589 0.617 -0.904 1.00 0.49 H new ATOM 0 HD1 HIS A 12 -7.787 -1.208 -1.451 1.00 1.50 H new ATOM 0 HD2 HIS A 12 -6.753 1.755 -4.223 1.00 0.90 H new ATOM 0 HE1 HIS A 12 -8.758 -1.939 -3.682 1.00 1.34 H new ATOM 258 N LEU A 13 -6.559 3.623 0.847 1.00 0.40 N ATOM 259 CA LEU A 13 -5.765 4.370 1.812 1.00 0.36 C ATOM 260 C LEU A 13 -6.623 5.223 2.745 1.00 0.34 C ATOM 261 O LEU A 13 -6.170 6.219 3.310 1.00 0.32 O ATOM 262 CB LEU A 13 -4.726 5.242 1.098 1.00 0.34 C ATOM 263 CG LEU A 13 -3.367 4.568 0.831 1.00 0.38 C ATOM 264 CD1 LEU A 13 -2.759 4.042 2.122 1.00 1.13 C ATOM 265 CD2 LEU A 13 -3.493 3.436 -0.176 1.00 0.84 C ATOM 0 H LEU A 13 -6.980 4.187 0.109 1.00 0.40 H new ATOM 0 HA LEU A 13 -5.251 3.635 2.432 1.00 0.36 H new ATOM 0 HB2 LEU A 13 -5.144 5.568 0.146 1.00 0.34 H new ATOM 0 HB3 LEU A 13 -4.557 6.138 1.695 1.00 0.34 H new ATOM 0 HG LEU A 13 -2.708 5.329 0.412 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -1.800 3.571 1.907 1.00 1.13 H new ATOM 0 HD12 LEU A 13 -2.609 4.868 2.817 1.00 1.13 H new ATOM 0 HD13 LEU A 13 -3.431 3.309 2.569 1.00 1.13 H new ATOM 0 HD21 LEU A 13 -2.515 2.984 -0.340 1.00 0.84 H new ATOM 0 HD22 LEU A 13 -4.181 2.683 0.208 1.00 0.84 H new ATOM 0 HD23 LEU A 13 -3.874 3.829 -1.119 1.00 0.84 H new ATOM 277 N LYS A 14 -7.874 4.799 2.900 1.00 0.38 N ATOM 278 CA LYS A 14 -8.848 5.542 3.689 1.00 0.38 C ATOM 279 C LYS A 14 -8.591 5.407 5.185 1.00 0.35 C ATOM 280 O LYS A 14 -9.131 6.160 5.990 1.00 0.36 O ATOM 281 CB LYS A 14 -10.271 5.092 3.353 1.00 0.45 C ATOM 282 CG LYS A 14 -10.583 3.651 3.722 1.00 0.64 C ATOM 283 CD LYS A 14 -11.975 3.260 3.253 1.00 0.67 C ATOM 284 CE LYS A 14 -12.251 1.784 3.479 1.00 1.26 C ATOM 285 NZ LYS A 14 -13.587 1.384 2.966 1.00 1.69 N ATOM 0 H LYS A 14 -8.237 3.940 2.487 1.00 0.38 H new ATOM 0 HA LYS A 14 -8.738 6.595 3.429 1.00 0.38 H new ATOM 0 HB2 LYS A 14 -10.976 5.746 3.867 1.00 0.45 H new ATOM 0 HB3 LYS A 14 -10.437 5.223 2.284 1.00 0.45 H new ATOM 0 HG2 LYS A 14 -9.844 2.988 3.272 1.00 0.64 H new ATOM 0 HG3 LYS A 14 -10.510 3.524 4.802 1.00 0.64 H new ATOM 0 HD2 LYS A 14 -12.718 3.854 3.784 1.00 0.67 H new ATOM 0 HD3 LYS A 14 -12.080 3.492 2.193 1.00 0.67 H new ATOM 0 HE2 LYS A 14 -11.481 1.191 2.986 1.00 1.26 H new ATOM 0 HE3 LYS A 14 -12.190 1.563 4.545 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 -13.736 0.370 3.140 1.00 1.69 H new ATOM 0 HZ2 LYS A 14 -14.324 1.931 3.454 1.00 1.69 H new ATOM 0 HZ3 LYS A 14 -13.637 1.571 1.944 1.00 1.69 H new ATOM 299 N TRP A 15 -7.757 4.439 5.545 1.00 0.34 N ATOM 300 CA TRP A 15 -7.401 4.214 6.942 1.00 0.33 C ATOM 301 C TRP A 15 -6.384 5.252 7.410 1.00 0.29 C ATOM 302 O TRP A 15 -6.077 5.337 8.599 1.00 0.29 O ATOM 303 CB TRP A 15 -6.824 2.810 7.124 1.00 0.35 C ATOM 304 CG TRP A 15 -5.640 2.548 6.248 1.00 0.33 C ATOM 305 CD1 TRP A 15 -5.666 2.092 4.969 1.00 0.34 C ATOM 306 CD2 TRP A 15 -4.258 2.731 6.583 1.00 0.30 C ATOM 307 NE1 TRP A 15 -4.391 1.984 4.478 1.00 0.33 N ATOM 308 CE2 TRP A 15 -3.507 2.369 5.450 1.00 0.30 C ATOM 309 CE3 TRP A 15 -3.581 3.168 7.726 1.00 0.30 C ATOM 310 CZ2 TRP A 15 -2.114 2.426 5.430 1.00 0.30 C ATOM 311 CZ3 TRP A 15 -2.201 3.225 7.703 1.00 0.30 C ATOM 312 CH2 TRP A 15 -1.480 2.857 6.562 1.00 0.30 C ATOM 0 H TRP A 15 -7.314 3.796 4.889 1.00 0.34 H new ATOM 0 HA TRP A 15 -8.305 4.309 7.543 1.00 0.33 H new ATOM 0 HB2 TRP A 15 -6.535 2.674 8.166 1.00 0.35 H new ATOM 0 HB3 TRP A 15 -7.599 2.074 6.909 1.00 0.35 H new ATOM 0 HD1 TRP A 15 -6.563 1.849 4.418 1.00 0.34 H new ATOM 0 HE1 TRP A 15 -4.141 1.668 3.541 1.00 0.33 H new ATOM 0 HE3 TRP A 15 -4.128 3.456 8.612 1.00 0.30 H new ATOM 0 HZ2 TRP A 15 -1.555 2.140 4.551 1.00 0.30 H new ATOM 0 HZ3 TRP A 15 -1.669 3.560 8.581 1.00 0.30 H new ATOM 0 HH2 TRP A 15 -0.402 2.914 6.576 1.00 0.30 H new ATOM 323 N LEU A 16 -5.870 6.044 6.475 1.00 0.28 N ATOM 324 CA LEU A 16 -4.996 7.152 6.822 1.00 0.26 C ATOM 325 C LEU A 16 -5.839 8.270 7.425 1.00 0.27 C ATOM 326 O LEU A 16 -6.989 8.488 7.044 1.00 0.31 O ATOM 327 CB LEU A 16 -4.264 7.689 5.584 1.00 0.25 C ATOM 328 CG LEU A 16 -3.333 6.712 4.853 1.00 0.26 C ATOM 329 CD1 LEU A 16 -2.840 7.340 3.558 1.00 0.26 C ATOM 330 CD2 LEU A 16 -2.143 6.320 5.719 1.00 0.30 C ATOM 0 H LEU A 16 -6.044 5.938 5.476 1.00 0.28 H new ATOM 0 HA LEU A 16 -4.251 6.800 7.536 1.00 0.26 H new ATOM 0 HB2 LEU A 16 -5.012 8.042 4.874 1.00 0.25 H new ATOM 0 HB3 LEU A 16 -3.677 8.556 5.886 1.00 0.25 H new ATOM 0 HG LEU A 16 -3.902 5.809 4.632 1.00 0.26 H new ATOM 0 HD11 LEU A 16 -2.180 6.642 3.043 1.00 0.26 H new ATOM 0 HD12 LEU A 16 -3.692 7.572 2.919 1.00 0.26 H new ATOM 0 HD13 LEU A 16 -2.295 8.257 3.783 1.00 0.26 H new ATOM 0 HD21 LEU A 16 -1.505 5.628 5.169 1.00 0.30 H new ATOM 0 HD22 LEU A 16 -1.572 7.212 5.978 1.00 0.30 H new ATOM 0 HD23 LEU A 16 -2.499 5.840 6.631 1.00 0.30 H new ATOM 342 N SER A 17 -5.228 8.973 8.360 1.00 0.27 N ATOM 343 CA SER A 17 -5.876 10.125 8.962 1.00 0.30 C ATOM 344 C SER A 17 -5.752 11.318 8.022 1.00 0.33 C ATOM 345 O SER A 17 -4.873 11.318 7.158 1.00 0.34 O ATOM 346 CB SER A 17 -5.248 10.435 10.318 1.00 0.31 C ATOM 347 OG SER A 17 -5.160 9.263 11.115 1.00 1.24 O ATOM 0 H SER A 17 -4.294 8.771 8.717 1.00 0.27 H new ATOM 0 HA SER A 17 -6.932 9.908 9.123 1.00 0.30 H new ATOM 0 HB2 SER A 17 -4.254 10.858 10.175 1.00 0.31 H new ATOM 0 HB3 SER A 17 -5.843 11.188 10.835 1.00 0.31 H new ATOM 0 HG SER A 17 -4.240 8.925 11.100 1.00 1.24 H new ATOM 353 N GLN A 18 -6.617 12.319 8.164 1.00 0.36 N ATOM 354 CA GLN A 18 -6.594 13.473 7.264 1.00 0.41 C ATOM 355 C GLN A 18 -5.196 14.084 7.239 1.00 0.41 C ATOM 356 O GLN A 18 -4.648 14.348 6.165 1.00 0.42 O ATOM 357 CB GLN A 18 -7.639 14.514 7.679 1.00 0.47 C ATOM 358 CG GLN A 18 -7.707 15.725 6.759 1.00 1.19 C ATOM 359 CD GLN A 18 -8.046 15.361 5.326 1.00 1.41 C ATOM 360 OE1 GLN A 18 -9.216 15.290 4.949 1.00 1.90 O ATOM 361 NE2 GLN A 18 -7.023 15.143 4.513 1.00 1.91 N ATOM 0 H GLN A 18 -7.337 12.357 8.886 1.00 0.36 H new ATOM 0 HA GLN A 18 -6.847 13.136 6.259 1.00 0.41 H new ATOM 0 HB2 GLN A 18 -8.619 14.038 7.709 1.00 0.47 H new ATOM 0 HB3 GLN A 18 -7.418 14.852 8.691 1.00 0.47 H new ATOM 0 HG2 GLN A 18 -8.455 16.421 7.138 1.00 1.19 H new ATOM 0 HG3 GLN A 18 -6.749 16.244 6.779 1.00 1.19 H new ATOM 0 HE21 GLN A 18 -6.068 15.212 4.865 1.00 1.91 H new ATOM 0 HE22 GLN A 18 -7.190 14.906 3.535 1.00 1.91 H new ATOM 370 N GLU A 19 -4.625 14.286 8.420 1.00 0.41 N ATOM 371 CA GLU A 19 -3.298 14.833 8.537 1.00 0.42 C ATOM 372 C GLU A 19 -2.288 13.983 7.761 1.00 0.40 C ATOM 373 O GLU A 19 -1.412 14.521 7.095 1.00 0.42 O ATOM 374 CB GLU A 19 -2.921 14.934 10.009 1.00 0.41 C ATOM 375 CG GLU A 19 -2.874 13.601 10.736 1.00 1.18 C ATOM 376 CD GLU A 19 -2.431 13.747 12.174 1.00 1.79 C ATOM 377 OE1 GLU A 19 -3.278 14.070 13.029 1.00 2.49 O ATOM 378 OE2 GLU A 19 -1.234 13.530 12.459 1.00 2.01 O ATOM 0 H GLU A 19 -5.073 14.074 9.312 1.00 0.41 H new ATOM 0 HA GLU A 19 -3.282 15.832 8.102 1.00 0.42 H new ATOM 0 HB2 GLU A 19 -1.945 15.413 10.090 1.00 0.41 H new ATOM 0 HB3 GLU A 19 -3.638 15.583 10.512 1.00 0.41 H new ATOM 0 HG2 GLU A 19 -3.861 13.139 10.707 1.00 1.18 H new ATOM 0 HG3 GLU A 19 -2.192 12.929 10.215 1.00 1.18 H new ATOM 385 N GLN A 20 -2.446 12.661 7.808 1.00 0.37 N ATOM 386 CA GLN A 20 -1.536 11.746 7.118 1.00 0.36 C ATOM 387 C GLN A 20 -1.751 11.838 5.613 1.00 0.38 C ATOM 388 O GLN A 20 -0.789 11.802 4.849 1.00 0.41 O ATOM 389 CB GLN A 20 -1.751 10.316 7.610 1.00 0.33 C ATOM 390 CG GLN A 20 -1.545 10.167 9.107 1.00 0.37 C ATOM 391 CD GLN A 20 -1.961 8.808 9.633 1.00 0.77 C ATOM 392 OE1 GLN A 20 -2.409 8.686 10.772 1.00 1.57 O ATOM 393 NE2 GLN A 20 -1.811 7.778 8.817 1.00 1.04 N ATOM 0 H GLN A 20 -3.198 12.198 8.318 1.00 0.37 H new ATOM 0 HA GLN A 20 -0.507 12.031 7.339 1.00 0.36 H new ATOM 0 HB2 GLN A 20 -2.762 9.998 7.354 1.00 0.33 H new ATOM 0 HB3 GLN A 20 -1.065 9.650 7.086 1.00 0.33 H new ATOM 0 HG2 GLN A 20 -0.494 10.334 9.341 1.00 0.37 H new ATOM 0 HG3 GLN A 20 -2.114 10.940 9.624 1.00 0.37 H new ATOM 0 HE21 GLN A 20 -1.436 7.921 7.879 1.00 1.04 H new ATOM 0 HE22 GLN A 20 -2.071 6.841 9.125 1.00 1.04 H new ATOM 402 N LYS A 21 -3.000 11.948 5.184 1.00 0.38 N ATOM 403 CA LYS A 21 -3.302 12.099 3.766 1.00 0.42 C ATOM 404 C LYS A 21 -2.686 13.390 3.240 1.00 0.42 C ATOM 405 O LYS A 21 -2.031 13.402 2.201 1.00 0.43 O ATOM 406 CB LYS A 21 -4.815 12.109 3.534 1.00 0.47 C ATOM 407 CG LYS A 21 -5.508 10.823 3.952 1.00 0.56 C ATOM 408 CD LYS A 21 -7.007 10.897 3.713 1.00 0.54 C ATOM 409 CE LYS A 21 -7.690 9.581 4.046 1.00 0.57 C ATOM 410 NZ LYS A 21 -9.163 9.658 3.869 1.00 0.95 N ATOM 0 H LYS A 21 -3.818 11.936 5.793 1.00 0.38 H new ATOM 0 HA LYS A 21 -2.876 11.252 3.228 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -5.252 12.942 4.085 1.00 0.47 H new ATOM 0 HB3 LYS A 21 -5.010 12.289 2.477 1.00 0.47 H new ATOM 0 HG2 LYS A 21 -5.090 9.985 3.394 1.00 0.56 H new ATOM 0 HG3 LYS A 21 -5.316 10.631 5.008 1.00 0.56 H new ATOM 0 HD2 LYS A 21 -7.435 11.694 4.321 1.00 0.54 H new ATOM 0 HD3 LYS A 21 -7.198 11.154 2.671 1.00 0.54 H new ATOM 0 HE2 LYS A 21 -7.289 8.793 3.409 1.00 0.57 H new ATOM 0 HE3 LYS A 21 -7.463 9.305 5.076 1.00 0.57 H new ATOM 0 HZ1 LYS A 21 -9.634 9.374 4.752 1.00 0.95 H new ATOM 0 HZ2 LYS A 21 -9.434 10.634 3.631 1.00 0.95 H new ATOM 0 HZ3 LYS A 21 -9.454 9.021 3.100 1.00 0.95 H new ATOM 424 N ASP A 22 -2.881 14.459 3.994 1.00 0.44 N ATOM 425 CA ASP A 22 -2.339 15.772 3.649 1.00 0.46 C ATOM 426 C ASP A 22 -0.811 15.778 3.721 1.00 0.46 C ATOM 427 O ASP A 22 -0.174 16.547 3.008 1.00 0.48 O ATOM 428 CB ASP A 22 -2.894 16.818 4.618 1.00 0.49 C ATOM 429 CG ASP A 22 -2.510 18.235 4.240 1.00 0.58 C ATOM 430 OD1 ASP A 22 -3.164 18.823 3.353 1.00 0.67 O ATOM 431 OD2 ASP A 22 -1.536 18.763 4.816 1.00 0.64 O ATOM 0 H ASP A 22 -3.418 14.446 4.861 1.00 0.44 H new ATOM 0 HA ASP A 22 -2.635 16.007 2.627 1.00 0.46 H new ATOM 0 HB2 ASP A 22 -3.981 16.737 4.648 1.00 0.49 H new ATOM 0 HB3 ASP A 22 -2.530 16.604 5.623 1.00 0.49 H new ATOM 436 N GLU A 23 -0.214 14.917 4.537 1.00 0.44 N ATOM 437 CA GLU A 23 1.212 14.694 4.489 1.00 0.45 C ATOM 438 C GLU A 23 1.627 14.125 3.139 1.00 0.42 C ATOM 439 O GLU A 23 2.481 14.696 2.465 1.00 0.44 O ATOM 440 CB GLU A 23 1.611 13.733 5.591 1.00 0.47 C ATOM 441 CG GLU A 23 1.542 14.341 6.972 1.00 0.71 C ATOM 442 CD GLU A 23 2.481 15.510 7.146 1.00 0.97 C ATOM 443 OE1 GLU A 23 3.704 15.291 7.245 1.00 1.40 O ATOM 444 OE2 GLU A 23 2.004 16.661 7.179 1.00 1.43 O ATOM 0 H GLU A 23 -0.704 14.364 5.240 1.00 0.44 H new ATOM 0 HA GLU A 23 1.718 15.649 4.630 1.00 0.45 H new ATOM 0 HB2 GLU A 23 0.960 12.859 5.554 1.00 0.47 H new ATOM 0 HB3 GLU A 23 2.626 13.382 5.407 1.00 0.47 H new ATOM 0 HG2 GLU A 23 0.521 14.669 7.169 1.00 0.71 H new ATOM 0 HG3 GLU A 23 1.780 13.577 7.712 1.00 0.71 H new ATOM 451 N LEU A 24 1.021 13.014 2.739 1.00 0.40 N ATOM 452 CA LEU A 24 1.351 12.367 1.482 1.00 0.39 C ATOM 453 C LEU A 24 1.073 13.282 0.296 1.00 0.39 C ATOM 454 O LEU A 24 1.874 13.360 -0.632 1.00 0.41 O ATOM 455 CB LEU A 24 0.547 11.080 1.350 1.00 0.38 C ATOM 456 CG LEU A 24 1.173 9.853 2.008 1.00 0.50 C ATOM 457 CD1 LEU A 24 1.448 10.063 3.477 1.00 1.16 C ATOM 458 CD2 LEU A 24 0.288 8.643 1.795 1.00 1.33 C ATOM 0 H LEU A 24 0.293 12.541 3.274 1.00 0.40 H new ATOM 0 HA LEU A 24 2.417 12.138 1.481 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -0.440 11.241 1.783 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.400 10.869 0.291 1.00 0.38 H new ATOM 0 HG LEU A 24 2.138 9.682 1.531 1.00 0.50 H new ATOM 0 HD11 LEU A 24 1.893 9.161 3.897 1.00 1.16 H new ATOM 0 HD12 LEU A 24 2.136 10.899 3.602 1.00 1.16 H new ATOM 0 HD13 LEU A 24 0.514 10.281 3.994 1.00 1.16 H new ATOM 0 HD21 LEU A 24 0.742 7.772 2.268 1.00 1.33 H new ATOM 0 HD22 LEU A 24 -0.691 8.826 2.237 1.00 1.33 H new ATOM 0 HD23 LEU A 24 0.175 8.458 0.727 1.00 1.33 H new ATOM 470 N LEU A 25 -0.063 13.964 0.327 1.00 0.40 N ATOM 471 CA LEU A 25 -0.415 14.903 -0.727 1.00 0.43 C ATOM 472 C LEU A 25 0.616 16.023 -0.803 1.00 0.46 C ATOM 473 O LEU A 25 0.984 16.468 -1.888 1.00 0.48 O ATOM 474 CB LEU A 25 -1.819 15.455 -0.492 1.00 0.45 C ATOM 475 CG LEU A 25 -2.922 14.393 -0.453 1.00 0.49 C ATOM 476 CD1 LEU A 25 -4.287 15.037 -0.278 1.00 1.02 C ATOM 477 CD2 LEU A 25 -2.893 13.537 -1.711 1.00 1.06 C ATOM 0 H LEU A 25 -0.756 13.884 1.071 1.00 0.40 H new ATOM 0 HA LEU A 25 -0.414 14.382 -1.684 1.00 0.43 H new ATOM 0 HB2 LEU A 25 -1.827 16.003 0.450 1.00 0.45 H new ATOM 0 HB3 LEU A 25 -2.050 16.172 -1.280 1.00 0.45 H new ATOM 0 HG LEU A 25 -2.737 13.747 0.405 1.00 0.49 H new ATOM 0 HD11 LEU A 25 -5.054 14.263 -0.253 1.00 1.02 H new ATOM 0 HD12 LEU A 25 -4.307 15.598 0.656 1.00 1.02 H new ATOM 0 HD13 LEU A 25 -4.480 15.713 -1.111 1.00 1.02 H new ATOM 0 HD21 LEU A 25 -3.685 12.790 -1.661 1.00 1.06 H new ATOM 0 HD22 LEU A 25 -3.046 14.170 -2.585 1.00 1.06 H new ATOM 0 HD23 LEU A 25 -1.927 13.037 -1.789 1.00 1.06 H new ATOM 489 N LYS A 26 1.064 16.477 0.361 1.00 0.47 N ATOM 490 CA LYS A 26 2.107 17.489 0.455 1.00 0.51 C ATOM 491 C LYS A 26 3.407 16.988 -0.163 1.00 0.49 C ATOM 492 O LYS A 26 4.021 17.665 -0.982 1.00 0.51 O ATOM 493 CB LYS A 26 2.339 17.856 1.921 1.00 0.56 C ATOM 494 CG LYS A 26 3.608 18.658 2.172 1.00 0.93 C ATOM 495 CD LYS A 26 3.784 18.995 3.645 1.00 1.62 C ATOM 496 CE LYS A 26 3.708 17.758 4.529 1.00 2.50 C ATOM 497 NZ LYS A 26 3.965 18.087 5.956 1.00 3.24 N ATOM 0 H LYS A 26 0.715 16.155 1.264 1.00 0.47 H new ATOM 0 HA LYS A 26 1.782 18.372 -0.096 1.00 0.51 H new ATOM 0 HB2 LYS A 26 1.484 18.429 2.280 1.00 0.56 H new ATOM 0 HB3 LYS A 26 2.379 16.940 2.511 1.00 0.56 H new ATOM 0 HG2 LYS A 26 4.471 18.090 1.824 1.00 0.93 H new ATOM 0 HG3 LYS A 26 3.576 19.579 1.590 1.00 0.93 H new ATOM 0 HD2 LYS A 26 4.746 19.486 3.792 1.00 1.62 H new ATOM 0 HD3 LYS A 26 3.014 19.705 3.948 1.00 1.62 H new ATOM 0 HE2 LYS A 26 2.723 17.301 4.432 1.00 2.50 H new ATOM 0 HE3 LYS A 26 4.436 17.022 4.188 1.00 2.50 H new ATOM 0 HZ1 LYS A 26 4.752 17.507 6.310 1.00 3.24 H new ATOM 0 HZ2 LYS A 26 4.211 19.094 6.041 1.00 3.24 H new ATOM 0 HZ3 LYS A 26 3.111 17.891 6.517 1.00 3.24 H new ATOM 511 N MET A 27 3.795 15.783 0.221 1.00 0.47 N ATOM 512 CA MET A 27 4.992 15.155 -0.317 1.00 0.47 C ATOM 513 C MET A 27 4.901 14.970 -1.827 1.00 0.47 C ATOM 514 O MET A 27 5.775 15.419 -2.569 1.00 0.49 O ATOM 515 CB MET A 27 5.224 13.804 0.361 1.00 0.49 C ATOM 516 CG MET A 27 5.373 13.905 1.870 1.00 0.50 C ATOM 517 SD MET A 27 5.548 12.299 2.665 1.00 0.92 S ATOM 518 CE MET A 27 7.046 11.710 1.888 1.00 0.79 C ATOM 0 H MET A 27 3.296 15.217 0.907 1.00 0.47 H new ATOM 0 HA MET A 27 5.834 15.816 -0.112 1.00 0.47 H new ATOM 0 HB2 MET A 27 4.390 13.141 0.129 1.00 0.49 H new ATOM 0 HB3 MET A 27 6.121 13.346 -0.056 1.00 0.49 H new ATOM 0 HG2 MET A 27 6.244 14.518 2.104 1.00 0.50 H new ATOM 0 HG3 MET A 27 4.503 14.416 2.283 1.00 0.50 H new ATOM 0 HE1 MET A 27 7.486 10.921 2.498 1.00 0.79 H new ATOM 0 HE2 MET A 27 6.812 11.317 0.899 1.00 0.79 H new ATOM 0 HE3 MET A 27 7.755 12.533 1.793 1.00 0.79 H new ATOM 528 N LYS A 28 3.828 14.340 -2.280 1.00 0.45 N ATOM 529 CA LYS A 28 3.617 14.065 -3.694 1.00 0.49 C ATOM 530 C LYS A 28 3.615 15.353 -4.526 1.00 0.54 C ATOM 531 O LYS A 28 4.199 15.403 -5.609 1.00 0.58 O ATOM 532 CB LYS A 28 2.292 13.312 -3.848 1.00 0.50 C ATOM 533 CG LYS A 28 1.851 13.066 -5.280 1.00 0.79 C ATOM 534 CD LYS A 28 0.588 12.220 -5.318 1.00 1.41 C ATOM 535 CE LYS A 28 0.011 12.126 -6.718 1.00 1.82 C ATOM 536 NZ LYS A 28 -0.567 13.418 -7.169 1.00 2.44 N ATOM 0 H LYS A 28 3.077 14.004 -1.677 1.00 0.45 H new ATOM 0 HA LYS A 28 4.438 13.453 -4.068 1.00 0.49 H new ATOM 0 HB2 LYS A 28 2.378 12.351 -3.341 1.00 0.50 H new ATOM 0 HB3 LYS A 28 1.511 13.874 -3.336 1.00 0.50 H new ATOM 0 HG2 LYS A 28 1.671 14.018 -5.779 1.00 0.79 H new ATOM 0 HG3 LYS A 28 2.647 12.564 -5.829 1.00 0.79 H new ATOM 0 HD2 LYS A 28 0.811 11.219 -4.949 1.00 1.41 H new ATOM 0 HD3 LYS A 28 -0.156 12.649 -4.647 1.00 1.41 H new ATOM 0 HE2 LYS A 28 0.792 11.816 -7.412 1.00 1.82 H new ATOM 0 HE3 LYS A 28 -0.760 11.356 -6.742 1.00 1.82 H new ATOM 0 HZ1 LYS A 28 -1.069 13.278 -8.069 1.00 2.44 H new ATOM 0 HZ2 LYS A 28 -1.233 13.769 -6.452 1.00 2.44 H new ATOM 0 HZ3 LYS A 28 0.196 14.112 -7.302 1.00 2.44 H new ATOM 550 N LYS A 29 2.981 16.394 -4.001 1.00 0.55 N ATOM 551 CA LYS A 29 2.881 17.659 -4.726 1.00 0.62 C ATOM 552 C LYS A 29 4.172 18.476 -4.666 1.00 0.64 C ATOM 553 O LYS A 29 4.438 19.278 -5.561 1.00 0.72 O ATOM 554 CB LYS A 29 1.694 18.475 -4.207 1.00 0.62 C ATOM 555 CG LYS A 29 1.351 19.679 -5.078 1.00 1.13 C ATOM 556 CD LYS A 29 -0.069 20.170 -4.831 1.00 1.57 C ATOM 557 CE LYS A 29 -1.098 19.149 -5.299 1.00 2.08 C ATOM 558 NZ LYS A 29 -2.497 19.622 -5.121 1.00 2.69 N ATOM 0 H LYS A 29 2.532 16.391 -3.085 1.00 0.55 H new ATOM 0 HA LYS A 29 2.716 17.417 -5.776 1.00 0.62 H new ATOM 0 HB2 LYS A 29 0.821 17.826 -4.139 1.00 0.62 H new ATOM 0 HB3 LYS A 29 1.915 18.820 -3.197 1.00 0.62 H new ATOM 0 HG2 LYS A 29 2.055 20.486 -4.876 1.00 1.13 H new ATOM 0 HG3 LYS A 29 1.466 19.412 -6.129 1.00 1.13 H new ATOM 0 HD2 LYS A 29 -0.208 20.368 -3.768 1.00 1.57 H new ATOM 0 HD3 LYS A 29 -0.226 21.113 -5.354 1.00 1.57 H new ATOM 0 HE2 LYS A 29 -0.926 18.922 -6.351 1.00 2.08 H new ATOM 0 HE3 LYS A 29 -0.960 18.220 -4.746 1.00 2.08 H new ATOM 0 HZ1 LYS A 29 -3.156 18.890 -5.455 1.00 2.69 H new ATOM 0 HZ2 LYS A 29 -2.673 19.813 -4.114 1.00 2.69 H new ATOM 0 HZ3 LYS A 29 -2.641 20.494 -5.669 1.00 2.69 H new ATOM 572 N ASP A 30 4.982 18.278 -3.634 1.00 0.62 N ATOM 573 CA ASP A 30 6.242 19.016 -3.530 1.00 0.66 C ATOM 574 C ASP A 30 7.361 18.317 -4.293 1.00 0.65 C ATOM 575 O ASP A 30 8.541 18.643 -4.152 1.00 0.69 O ATOM 576 CB ASP A 30 6.651 19.246 -2.073 1.00 0.67 C ATOM 577 CG ASP A 30 5.999 20.478 -1.481 1.00 1.33 C ATOM 578 OD1 ASP A 30 6.276 21.593 -1.973 1.00 1.32 O ATOM 579 OD2 ASP A 30 5.210 20.345 -0.521 1.00 2.14 O ATOM 0 H ASP A 30 4.799 17.628 -2.870 1.00 0.62 H new ATOM 0 HA ASP A 30 6.073 19.991 -3.986 1.00 0.66 H new ATOM 0 HB2 ASP A 30 6.379 18.373 -1.479 1.00 0.67 H new ATOM 0 HB3 ASP A 30 7.735 19.347 -2.014 1.00 0.67 H new ATOM 584 N GLY A 31 6.958 17.341 -5.089 1.00 0.62 N ATOM 585 CA GLY A 31 7.873 16.742 -6.032 1.00 0.62 C ATOM 586 C GLY A 31 8.729 15.684 -5.395 1.00 0.61 C ATOM 587 O GLY A 31 9.791 15.341 -5.915 1.00 0.63 O ATOM 0 H GLY A 31 6.014 16.954 -5.098 1.00 0.62 H new ATOM 0 HA2 GLY A 31 7.309 16.304 -6.856 1.00 0.62 H new ATOM 0 HA3 GLY A 31 8.511 17.516 -6.459 1.00 0.62 H new ATOM 591 N LYS A 32 8.283 15.178 -4.259 1.00 0.59 N ATOM 592 CA LYS A 32 8.964 14.082 -3.615 1.00 0.58 C ATOM 593 C LYS A 32 8.750 12.835 -4.450 1.00 0.56 C ATOM 594 O LYS A 32 7.710 12.677 -5.093 1.00 0.55 O ATOM 595 CB LYS A 32 8.453 13.887 -2.182 1.00 0.57 C ATOM 596 CG LYS A 32 8.544 15.147 -1.328 1.00 0.63 C ATOM 597 CD LYS A 32 9.982 15.611 -1.132 1.00 0.76 C ATOM 598 CE LYS A 32 10.675 14.840 -0.018 1.00 1.15 C ATOM 599 NZ LYS A 32 10.168 15.227 1.325 1.00 1.65 N ATOM 0 H LYS A 32 7.453 15.512 -3.768 1.00 0.59 H new ATOM 0 HA LYS A 32 10.030 14.296 -3.544 1.00 0.58 H new ATOM 0 HB2 LYS A 32 7.415 13.555 -2.217 1.00 0.57 H new ATOM 0 HB3 LYS A 32 9.026 13.092 -1.705 1.00 0.57 H new ATOM 0 HG2 LYS A 32 7.968 15.944 -1.798 1.00 0.63 H new ATOM 0 HG3 LYS A 32 8.090 14.957 -0.355 1.00 0.63 H new ATOM 0 HD2 LYS A 32 10.536 15.483 -2.062 1.00 0.76 H new ATOM 0 HD3 LYS A 32 9.992 16.676 -0.899 1.00 0.76 H new ATOM 0 HE2 LYS A 32 10.524 13.771 -0.168 1.00 1.15 H new ATOM 0 HE3 LYS A 32 11.749 15.020 -0.066 1.00 1.15 H new ATOM 0 HZ1 LYS A 32 10.831 14.896 2.055 1.00 1.65 H new ATOM 0 HZ2 LYS A 32 10.082 16.262 1.379 1.00 1.65 H new ATOM 0 HZ3 LYS A 32 9.236 14.794 1.482 1.00 1.65 H new ATOM 613 N ALA A 33 9.727 11.967 -4.445 1.00 0.56 N ATOM 614 CA ALA A 33 9.709 10.763 -5.259 1.00 0.55 C ATOM 615 C ALA A 33 8.691 9.779 -4.721 1.00 0.52 C ATOM 616 O ALA A 33 8.445 9.747 -3.521 1.00 0.50 O ATOM 617 CB ALA A 33 11.084 10.119 -5.283 1.00 0.59 C ATOM 0 H ALA A 33 10.567 12.069 -3.875 1.00 0.56 H new ATOM 0 HA ALA A 33 9.431 11.040 -6.276 1.00 0.55 H new ATOM 0 HB1 ALA A 33 11.053 9.219 -5.897 1.00 0.59 H new ATOM 0 HB2 ALA A 33 11.807 10.819 -5.702 1.00 0.59 H new ATOM 0 HB3 ALA A 33 11.380 9.856 -4.268 1.00 0.59 H new ATOM 623 N LYS A 34 8.115 8.966 -5.598 1.00 0.53 N ATOM 624 CA LYS A 34 7.157 7.947 -5.176 1.00 0.51 C ATOM 625 C LYS A 34 7.779 7.059 -4.103 1.00 0.51 C ATOM 626 O LYS A 34 7.093 6.587 -3.196 1.00 0.48 O ATOM 627 CB LYS A 34 6.721 7.095 -6.371 1.00 0.56 C ATOM 628 CG LYS A 34 6.108 7.908 -7.504 1.00 1.21 C ATOM 629 CD LYS A 34 4.860 8.649 -7.052 1.00 1.64 C ATOM 630 CE LYS A 34 4.303 9.536 -8.155 1.00 2.21 C ATOM 631 NZ LYS A 34 5.239 10.633 -8.519 1.00 2.97 N ATOM 0 H LYS A 34 8.292 8.991 -6.602 1.00 0.53 H new ATOM 0 HA LYS A 34 6.279 8.444 -4.763 1.00 0.51 H new ATOM 0 HB2 LYS A 34 7.584 6.549 -6.752 1.00 0.56 H new ATOM 0 HB3 LYS A 34 5.997 6.353 -6.034 1.00 0.56 H new ATOM 0 HG2 LYS A 34 6.841 8.623 -7.877 1.00 1.21 H new ATOM 0 HG3 LYS A 34 5.858 7.246 -8.333 1.00 1.21 H new ATOM 0 HD2 LYS A 34 4.101 7.930 -6.745 1.00 1.64 H new ATOM 0 HD3 LYS A 34 5.094 9.258 -6.179 1.00 1.64 H new ATOM 0 HE2 LYS A 34 4.096 8.930 -9.037 1.00 2.21 H new ATOM 0 HE3 LYS A 34 3.354 9.963 -7.831 1.00 2.21 H new ATOM 0 HZ1 LYS A 34 4.737 11.342 -9.091 1.00 2.97 H new ATOM 0 HZ2 LYS A 34 5.603 11.080 -7.654 1.00 2.97 H new ATOM 0 HZ3 LYS A 34 6.033 10.245 -9.068 1.00 2.97 H new ATOM 645 N LYS A 35 9.087 6.857 -4.221 1.00 0.54 N ATOM 646 CA LYS A 35 9.855 6.080 -3.248 1.00 0.56 C ATOM 647 C LYS A 35 9.715 6.653 -1.835 1.00 0.53 C ATOM 648 O LYS A 35 9.950 5.956 -0.850 1.00 0.55 O ATOM 649 CB LYS A 35 11.338 6.067 -3.636 1.00 0.61 C ATOM 650 CG LYS A 35 11.596 5.752 -5.101 1.00 1.17 C ATOM 651 CD LYS A 35 10.910 4.468 -5.532 1.00 1.56 C ATOM 652 CE LYS A 35 11.524 3.245 -4.874 1.00 2.18 C ATOM 653 NZ LYS A 35 10.706 2.034 -5.120 1.00 2.82 N ATOM 0 H LYS A 35 9.646 7.225 -4.991 1.00 0.54 H new ATOM 0 HA LYS A 35 9.458 5.065 -3.253 1.00 0.56 H new ATOM 0 HB2 LYS A 35 11.771 7.040 -3.403 1.00 0.61 H new ATOM 0 HB3 LYS A 35 11.857 5.332 -3.021 1.00 0.61 H new ATOM 0 HG2 LYS A 35 11.242 6.578 -5.718 1.00 1.17 H new ATOM 0 HG3 LYS A 35 12.669 5.665 -5.270 1.00 1.17 H new ATOM 0 HD2 LYS A 35 9.851 4.521 -5.281 1.00 1.56 H new ATOM 0 HD3 LYS A 35 10.976 4.368 -6.615 1.00 1.56 H new ATOM 0 HE2 LYS A 35 12.532 3.090 -5.259 1.00 2.18 H new ATOM 0 HE3 LYS A 35 11.615 3.414 -3.801 1.00 2.18 H new ATOM 0 HZ1 LYS A 35 11.297 1.186 -5.002 1.00 2.82 H new ATOM 0 HZ2 LYS A 35 9.918 2.004 -4.442 1.00 2.82 H new ATOM 0 HZ3 LYS A 35 10.329 2.061 -6.089 1.00 2.82 H new ATOM 667 N GLU A 36 9.359 7.928 -1.735 1.00 0.51 N ATOM 668 CA GLU A 36 9.236 8.589 -0.447 1.00 0.50 C ATOM 669 C GLU A 36 7.808 8.482 0.103 1.00 0.44 C ATOM 670 O GLU A 36 7.556 8.504 1.307 1.00 0.45 O ATOM 671 CB GLU A 36 9.661 10.049 -0.577 1.00 0.53 C ATOM 672 CG GLU A 36 11.003 10.198 -1.269 1.00 0.61 C ATOM 673 CD GLU A 36 11.515 11.622 -1.282 1.00 0.68 C ATOM 674 OE1 GLU A 36 12.044 12.074 -0.246 1.00 0.85 O ATOM 675 OE2 GLU A 36 11.402 12.291 -2.329 1.00 0.66 O ATOM 0 H GLU A 36 9.150 8.525 -2.536 1.00 0.51 H new ATOM 0 HA GLU A 36 9.894 8.088 0.263 1.00 0.50 H new ATOM 0 HB2 GLU A 36 8.903 10.597 -1.137 1.00 0.53 H new ATOM 0 HB3 GLU A 36 9.714 10.500 0.414 1.00 0.53 H new ATOM 0 HG2 GLU A 36 11.734 9.561 -0.770 1.00 0.61 H new ATOM 0 HG3 GLU A 36 10.916 9.841 -2.295 1.00 0.61 H new ATOM 682 N LEU A 37 6.894 8.326 -0.853 1.00 0.39 N ATOM 683 CA LEU A 37 5.489 8.120 -0.552 1.00 0.36 C ATOM 684 C LEU A 37 5.214 6.684 -0.130 1.00 0.36 C ATOM 685 O LEU A 37 4.457 6.444 0.815 1.00 0.35 O ATOM 686 CB LEU A 37 4.657 8.479 -1.775 1.00 0.37 C ATOM 687 CG LEU A 37 4.552 9.975 -2.089 1.00 0.41 C ATOM 688 CD1 LEU A 37 3.875 10.714 -0.951 1.00 1.22 C ATOM 689 CD2 LEU A 37 5.905 10.601 -2.377 1.00 1.01 C ATOM 0 H LEU A 37 7.110 8.340 -1.850 1.00 0.39 H new ATOM 0 HA LEU A 37 5.215 8.764 0.283 1.00 0.36 H new ATOM 0 HB2 LEU A 37 5.082 7.973 -2.642 1.00 0.37 H new ATOM 0 HB3 LEU A 37 3.651 8.084 -1.636 1.00 0.37 H new ATOM 0 HG LEU A 37 3.947 10.065 -2.991 1.00 0.41 H new ATOM 0 HD11 LEU A 37 3.810 11.775 -1.194 1.00 1.22 H new ATOM 0 HD12 LEU A 37 2.872 10.314 -0.803 1.00 1.22 H new ATOM 0 HD13 LEU A 37 4.455 10.586 -0.037 1.00 1.22 H new ATOM 0 HD21 LEU A 37 5.777 11.662 -2.594 1.00 1.01 H new ATOM 0 HD22 LEU A 37 6.552 10.484 -1.508 1.00 1.01 H new ATOM 0 HD23 LEU A 37 6.359 10.108 -3.237 1.00 1.01 H new ATOM 701 N GLU A 38 5.846 5.730 -0.814 1.00 0.39 N ATOM 702 CA GLU A 38 5.746 4.320 -0.437 1.00 0.43 C ATOM 703 C GLU A 38 6.328 4.125 0.953 1.00 0.43 C ATOM 704 O GLU A 38 6.026 3.163 1.642 1.00 0.45 O ATOM 705 CB GLU A 38 6.486 3.424 -1.435 1.00 0.57 C ATOM 706 CG GLU A 38 7.991 3.615 -1.408 1.00 1.35 C ATOM 707 CD GLU A 38 8.732 2.663 -2.322 1.00 2.06 C ATOM 708 OE1 GLU A 38 8.746 2.891 -3.547 1.00 2.49 O ATOM 709 OE2 GLU A 38 9.325 1.688 -1.812 1.00 2.72 O ATOM 0 H GLU A 38 6.431 5.907 -1.630 1.00 0.39 H new ATOM 0 HA GLU A 38 4.693 4.038 -0.443 1.00 0.43 H new ATOM 0 HB2 GLU A 38 6.255 2.381 -1.218 1.00 0.57 H new ATOM 0 HB3 GLU A 38 6.118 3.630 -2.440 1.00 0.57 H new ATOM 0 HG2 GLU A 38 8.225 4.640 -1.695 1.00 1.35 H new ATOM 0 HG3 GLU A 38 8.349 3.480 -0.387 1.00 1.35 H new ATOM 716 N ALA A 39 7.111 5.100 1.373 1.00 0.43 N ATOM 717 CA ALA A 39 7.815 5.039 2.632 1.00 0.45 C ATOM 718 C ALA A 39 7.019 5.614 3.786 1.00 0.42 C ATOM 719 O ALA A 39 7.030 5.077 4.894 1.00 0.44 O ATOM 720 CB ALA A 39 9.154 5.751 2.515 1.00 0.49 C ATOM 0 H ALA A 39 7.275 5.958 0.846 1.00 0.43 H new ATOM 0 HA ALA A 39 7.972 3.984 2.854 1.00 0.45 H new ATOM 0 HB1 ALA A 39 9.678 5.700 3.469 1.00 0.49 H new ATOM 0 HB2 ALA A 39 9.756 5.270 1.744 1.00 0.49 H new ATOM 0 HB3 ALA A 39 8.989 6.795 2.247 1.00 0.49 H new ATOM 726 N LYS A 40 6.313 6.704 3.511 1.00 0.39 N ATOM 727 CA LYS A 40 5.477 7.342 4.498 1.00 0.37 C ATOM 728 C LYS A 40 4.365 6.389 4.926 1.00 0.31 C ATOM 729 O LYS A 40 4.139 6.183 6.118 1.00 0.31 O ATOM 730 CB LYS A 40 4.896 8.620 3.899 1.00 0.41 C ATOM 731 CG LYS A 40 4.560 9.691 4.917 1.00 0.79 C ATOM 732 CD LYS A 40 5.776 10.079 5.738 1.00 0.64 C ATOM 733 CE LYS A 40 5.659 11.502 6.251 1.00 0.74 C ATOM 734 NZ LYS A 40 6.774 11.860 7.168 1.00 1.34 N ATOM 0 H LYS A 40 6.309 7.162 2.600 1.00 0.39 H new ATOM 0 HA LYS A 40 6.064 7.596 5.380 1.00 0.37 H new ATOM 0 HB2 LYS A 40 5.609 9.028 3.182 1.00 0.41 H new ATOM 0 HB3 LYS A 40 3.993 8.368 3.343 1.00 0.41 H new ATOM 0 HG2 LYS A 40 4.169 10.571 4.406 1.00 0.79 H new ATOM 0 HG3 LYS A 40 3.772 9.331 5.579 1.00 0.79 H new ATOM 0 HD2 LYS A 40 5.884 9.394 6.579 1.00 0.64 H new ATOM 0 HD3 LYS A 40 6.675 9.981 5.130 1.00 0.64 H new ATOM 0 HE2 LYS A 40 5.649 12.191 5.407 1.00 0.74 H new ATOM 0 HE3 LYS A 40 4.709 11.622 6.772 1.00 0.74 H new ATOM 0 HZ1 LYS A 40 6.654 12.840 7.494 1.00 1.34 H new ATOM 0 HZ2 LYS A 40 6.769 11.219 7.987 1.00 1.34 H new ATOM 0 HZ3 LYS A 40 7.680 11.771 6.665 1.00 1.34 H new ATOM 748 N ILE A 41 3.700 5.782 3.941 1.00 0.29 N ATOM 749 CA ILE A 41 2.647 4.817 4.201 1.00 0.26 C ATOM 750 C ILE A 41 3.168 3.623 4.984 1.00 0.27 C ATOM 751 O ILE A 41 2.571 3.228 5.975 1.00 0.27 O ATOM 752 CB ILE A 41 2.023 4.320 2.889 1.00 0.29 C ATOM 753 CG1 ILE A 41 1.437 5.497 2.119 1.00 0.33 C ATOM 754 CG2 ILE A 41 0.955 3.275 3.166 1.00 0.33 C ATOM 755 CD1 ILE A 41 0.910 5.127 0.758 1.00 0.39 C ATOM 0 H ILE A 41 3.879 5.948 2.951 1.00 0.29 H new ATOM 0 HA ILE A 41 1.888 5.327 4.795 1.00 0.26 H new ATOM 0 HB ILE A 41 2.800 3.854 2.283 1.00 0.29 H new ATOM 0 HG12 ILE A 41 0.630 5.937 2.704 1.00 0.33 H new ATOM 0 HG13 ILE A 41 2.203 6.264 2.006 1.00 0.33 H new ATOM 0 HG21 ILE A 41 0.525 2.936 2.224 1.00 0.33 H new ATOM 0 HG22 ILE A 41 1.401 2.428 3.687 1.00 0.33 H new ATOM 0 HG23 ILE A 41 0.172 3.711 3.786 1.00 0.33 H new ATOM 0 HD11 ILE A 41 0.509 6.015 0.269 1.00 0.39 H new ATOM 0 HD12 ILE A 41 1.719 4.715 0.154 1.00 0.39 H new ATOM 0 HD13 ILE A 41 0.120 4.383 0.863 1.00 0.39 H new ATOM 767 N LEU A 42 4.285 3.062 4.542 1.00 0.31 N ATOM 768 CA LEU A 42 4.857 1.890 5.197 1.00 0.35 C ATOM 769 C LEU A 42 5.274 2.195 6.631 1.00 0.35 C ATOM 770 O LEU A 42 5.219 1.328 7.504 1.00 0.38 O ATOM 771 CB LEU A 42 6.066 1.371 4.418 1.00 0.39 C ATOM 772 CG LEU A 42 5.754 0.743 3.057 1.00 0.40 C ATOM 773 CD1 LEU A 42 7.022 0.217 2.413 1.00 0.45 C ATOM 774 CD2 LEU A 42 4.722 -0.367 3.196 1.00 0.40 C ATOM 0 H LEU A 42 4.813 3.397 3.736 1.00 0.31 H new ATOM 0 HA LEU A 42 4.081 1.124 5.217 1.00 0.35 H new ATOM 0 HB2 LEU A 42 6.760 2.197 4.266 1.00 0.39 H new ATOM 0 HB3 LEU A 42 6.580 0.631 5.031 1.00 0.39 H new ATOM 0 HG LEU A 42 5.334 1.515 2.413 1.00 0.40 H new ATOM 0 HD11 LEU A 42 6.782 -0.226 1.446 1.00 0.45 H new ATOM 0 HD12 LEU A 42 7.726 1.037 2.272 1.00 0.45 H new ATOM 0 HD13 LEU A 42 7.471 -0.539 3.057 1.00 0.45 H new ATOM 0 HD21 LEU A 42 4.517 -0.798 2.216 1.00 0.40 H new ATOM 0 HD22 LEU A 42 5.108 -1.141 3.859 1.00 0.40 H new ATOM 0 HD23 LEU A 42 3.802 0.042 3.613 1.00 0.40 H new ATOM 786 N HIS A 43 5.685 3.439 6.859 1.00 0.35 N ATOM 787 CA HIS A 43 5.949 3.925 8.208 1.00 0.37 C ATOM 788 C HIS A 43 4.659 3.936 9.033 1.00 0.35 C ATOM 789 O HIS A 43 4.621 3.383 10.129 1.00 0.40 O ATOM 790 CB HIS A 43 6.566 5.331 8.159 1.00 0.40 C ATOM 791 CG HIS A 43 6.854 5.923 9.506 1.00 0.49 C ATOM 792 ND1 HIS A 43 7.922 5.543 10.284 1.00 1.17 N ATOM 793 CD2 HIS A 43 6.198 6.876 10.210 1.00 1.23 C ATOM 794 CE1 HIS A 43 7.912 6.234 11.408 1.00 0.93 C ATOM 795 NE2 HIS A 43 6.878 7.052 11.391 1.00 0.92 N ATOM 0 H HIS A 43 5.842 4.129 6.125 1.00 0.35 H new ATOM 0 HA HIS A 43 6.660 3.251 8.686 1.00 0.37 H new ATOM 0 HB2 HIS A 43 7.493 5.289 7.587 1.00 0.40 H new ATOM 0 HB3 HIS A 43 5.889 5.994 7.620 1.00 0.40 H new ATOM 0 HD2 HIS A 43 5.306 7.400 9.901 1.00 1.23 H new ATOM 0 HE1 HIS A 43 8.631 6.144 12.209 1.00 0.93 H new ATOM 0 HE2 HIS A 43 6.625 7.706 12.131 1.00 0.92 H new ATOM 804 N TYR A 44 3.604 4.558 8.495 1.00 0.30 N ATOM 805 CA TYR A 44 2.304 4.595 9.168 1.00 0.30 C ATOM 806 C TYR A 44 1.809 3.174 9.431 1.00 0.32 C ATOM 807 O TYR A 44 1.299 2.855 10.505 1.00 0.40 O ATOM 808 CB TYR A 44 1.272 5.328 8.303 1.00 0.31 C ATOM 809 CG TYR A 44 1.619 6.770 8.034 1.00 0.35 C ATOM 810 CD1 TYR A 44 2.149 7.565 9.035 1.00 0.42 C ATOM 811 CD2 TYR A 44 1.428 7.334 6.778 1.00 0.40 C ATOM 812 CE1 TYR A 44 2.478 8.878 8.803 1.00 0.52 C ATOM 813 CE2 TYR A 44 1.754 8.652 6.534 1.00 0.50 C ATOM 814 CZ TYR A 44 2.279 9.423 7.551 1.00 0.58 C ATOM 815 OH TYR A 44 2.602 10.744 7.317 1.00 0.68 O ATOM 0 H TYR A 44 3.626 5.041 7.597 1.00 0.30 H new ATOM 0 HA TYR A 44 2.425 5.125 10.113 1.00 0.30 H new ATOM 0 HB2 TYR A 44 1.171 4.805 7.352 1.00 0.31 H new ATOM 0 HB3 TYR A 44 0.301 5.283 8.796 1.00 0.31 H new ATOM 0 HD1 TYR A 44 2.307 7.145 10.017 1.00 0.42 H new ATOM 0 HD2 TYR A 44 1.018 6.731 5.981 1.00 0.40 H new ATOM 0 HE1 TYR A 44 2.891 9.482 9.598 1.00 0.52 H new ATOM 0 HE2 TYR A 44 1.599 9.078 5.554 1.00 0.50 H new ATOM 0 HH TYR A 44 2.402 10.970 6.385 1.00 0.68 H new ATOM 825 N TYR A 45 1.996 2.344 8.416 1.00 0.30 N ATOM 826 CA TYR A 45 1.565 0.958 8.397 1.00 0.33 C ATOM 827 C TYR A 45 2.199 0.143 9.524 1.00 0.40 C ATOM 828 O TYR A 45 1.510 -0.587 10.237 1.00 0.42 O ATOM 829 CB TYR A 45 1.947 0.387 7.027 1.00 0.35 C ATOM 830 CG TYR A 45 1.586 -1.050 6.784 1.00 0.40 C ATOM 831 CD1 TYR A 45 0.268 -1.402 6.567 1.00 0.41 C ATOM 832 CD2 TYR A 45 2.544 -2.050 6.810 1.00 0.49 C ATOM 833 CE1 TYR A 45 -0.097 -2.713 6.381 1.00 0.46 C ATOM 834 CE2 TYR A 45 2.191 -3.370 6.619 1.00 0.54 C ATOM 835 CZ TYR A 45 0.971 -3.700 6.266 1.00 0.53 C ATOM 836 OH TYR A 45 0.497 -5.011 6.233 1.00 0.58 O ATOM 0 H TYR A 45 2.467 2.627 7.557 1.00 0.30 H new ATOM 0 HA TYR A 45 0.488 0.903 8.558 1.00 0.33 H new ATOM 0 HB2 TYR A 45 1.471 0.995 6.258 1.00 0.35 H new ATOM 0 HB3 TYR A 45 3.024 0.496 6.898 1.00 0.35 H new ATOM 0 HD1 TYR A 45 -0.489 -0.632 6.543 1.00 0.41 H new ATOM 0 HD2 TYR A 45 3.579 -1.794 6.982 1.00 0.49 H new ATOM 0 HE1 TYR A 45 -1.136 -3.002 6.322 1.00 0.46 H new ATOM 0 HE2 TYR A 45 2.930 -4.144 6.762 1.00 0.54 H new ATOM 0 HH TYR A 45 -0.304 -5.083 6.792 1.00 0.58 H new ATOM 846 N ASP A 46 3.502 0.281 9.703 1.00 0.43 N ATOM 847 CA ASP A 46 4.214 -0.550 10.665 1.00 0.51 C ATOM 848 C ASP A 46 3.949 -0.085 12.097 1.00 0.53 C ATOM 849 O ASP A 46 4.167 -0.837 13.047 1.00 0.60 O ATOM 850 CB ASP A 46 5.717 -0.562 10.361 1.00 0.58 C ATOM 851 CG ASP A 46 6.476 -1.631 11.132 1.00 0.90 C ATOM 852 OD1 ASP A 46 6.299 -2.832 10.835 1.00 1.20 O ATOM 853 OD2 ASP A 46 7.243 -1.276 12.054 1.00 1.14 O ATOM 0 H ASP A 46 4.085 0.952 9.202 1.00 0.43 H new ATOM 0 HA ASP A 46 3.840 -1.570 10.573 1.00 0.51 H new ATOM 0 HB2 ASP A 46 5.864 -0.721 9.293 1.00 0.58 H new ATOM 0 HB3 ASP A 46 6.137 0.415 10.599 1.00 0.58 H new ATOM 858 N GLU A 47 3.451 1.140 12.259 1.00 0.49 N ATOM 859 CA GLU A 47 3.153 1.677 13.580 1.00 0.51 C ATOM 860 C GLU A 47 1.676 1.475 13.941 1.00 0.49 C ATOM 861 O GLU A 47 1.212 1.984 14.962 1.00 0.58 O ATOM 862 CB GLU A 47 3.475 3.169 13.622 1.00 0.53 C ATOM 863 CG GLU A 47 4.927 3.496 13.328 1.00 1.21 C ATOM 864 CD GLU A 47 5.222 4.971 13.482 1.00 1.73 C ATOM 865 OE1 GLU A 47 4.599 5.786 12.769 1.00 2.21 O ATOM 866 OE2 GLU A 47 6.066 5.326 14.331 1.00 2.22 O ATOM 0 H GLU A 47 3.246 1.777 11.489 1.00 0.49 H new ATOM 0 HA GLU A 47 3.768 1.141 14.303 1.00 0.51 H new ATOM 0 HB2 GLU A 47 2.843 3.687 12.900 1.00 0.53 H new ATOM 0 HB3 GLU A 47 3.218 3.558 14.607 1.00 0.53 H new ATOM 0 HG2 GLU A 47 5.569 2.927 14.000 1.00 1.21 H new ATOM 0 HG3 GLU A 47 5.170 3.183 12.313 1.00 1.21 H new ATOM 873 N LEU A 48 0.947 0.744 13.096 1.00 0.44 N ATOM 874 CA LEU A 48 -0.488 0.551 13.256 1.00 0.46 C ATOM 875 C LEU A 48 -0.859 -0.230 14.526 1.00 0.69 C ATOM 876 O LEU A 48 -0.039 -0.446 15.418 1.00 1.11 O ATOM 877 CB LEU A 48 -1.013 -0.151 11.998 1.00 0.37 C ATOM 878 CG LEU A 48 -1.174 0.753 10.779 1.00 0.36 C ATOM 879 CD1 LEU A 48 -1.628 -0.060 9.581 1.00 0.44 C ATOM 880 CD2 LEU A 48 -2.166 1.861 11.074 1.00 0.47 C ATOM 0 H LEU A 48 1.339 0.270 12.282 1.00 0.44 H new ATOM 0 HA LEU A 48 -0.958 1.527 13.377 1.00 0.46 H new ATOM 0 HB2 LEU A 48 -0.333 -0.964 11.742 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -1.978 -0.603 12.227 1.00 0.37 H new ATOM 0 HG LEU A 48 -0.210 1.205 10.547 1.00 0.36 H new ATOM 0 HD11 LEU A 48 -1.739 0.596 8.717 1.00 0.44 H new ATOM 0 HD12 LEU A 48 -0.887 -0.828 9.360 1.00 0.44 H new ATOM 0 HD13 LEU A 48 -2.585 -0.533 9.803 1.00 0.44 H new ATOM 0 HD21 LEU A 48 -2.271 2.498 10.196 1.00 0.47 H new ATOM 0 HD22 LEU A 48 -3.133 1.426 11.325 1.00 0.47 H new ATOM 0 HD23 LEU A 48 -1.807 2.456 11.914 1.00 0.47 H new ATOM 892 N GLU A 49 -2.101 -0.673 14.558 1.00 0.61 N ATOM 893 CA GLU A 49 -2.702 -1.278 15.739 1.00 0.86 C ATOM 894 C GLU A 49 -3.276 -2.642 15.377 1.00 0.61 C ATOM 895 O GLU A 49 -3.071 -3.112 14.267 1.00 1.16 O ATOM 896 CB GLU A 49 -3.799 -0.368 16.295 1.00 1.42 C ATOM 897 CG GLU A 49 -3.280 0.942 16.862 1.00 1.33 C ATOM 898 CD GLU A 49 -2.381 0.735 18.062 1.00 2.01 C ATOM 899 OE1 GLU A 49 -2.893 0.341 19.130 1.00 2.19 O ATOM 900 OE2 GLU A 49 -1.159 0.969 17.948 1.00 2.83 O ATOM 0 H GLU A 49 -2.731 -0.624 13.757 1.00 0.61 H new ATOM 0 HA GLU A 49 -1.939 -1.407 16.506 1.00 0.86 H new ATOM 0 HB2 GLU A 49 -4.515 -0.152 15.502 1.00 1.42 H new ATOM 0 HB3 GLU A 49 -4.340 -0.902 17.076 1.00 1.42 H new ATOM 0 HG2 GLU A 49 -2.731 1.478 16.088 1.00 1.33 H new ATOM 0 HG3 GLU A 49 -4.123 1.571 17.147 1.00 1.33 H new ATOM 907 N GLY A 50 -4.008 -3.259 16.303 1.00 0.74 N ATOM 908 CA GLY A 50 -4.544 -4.597 16.083 1.00 0.61 C ATOM 909 C GLY A 50 -5.372 -4.723 14.813 1.00 0.54 C ATOM 910 O GLY A 50 -4.878 -5.181 13.780 1.00 0.54 O ATOM 0 H GLY A 50 -4.242 -2.854 17.209 1.00 0.74 H new ATOM 0 HA2 GLY A 50 -3.718 -5.307 16.040 1.00 0.61 H new ATOM 0 HA3 GLY A 50 -5.160 -4.877 16.937 1.00 0.61 H new ATOM 914 N ASP A 51 -6.633 -4.319 14.893 1.00 0.54 N ATOM 915 CA ASP A 51 -7.532 -4.362 13.740 1.00 0.52 C ATOM 916 C ASP A 51 -7.084 -3.359 12.687 1.00 0.46 C ATOM 917 O ASP A 51 -7.297 -3.580 11.501 1.00 0.46 O ATOM 918 CB ASP A 51 -8.969 -4.067 14.184 1.00 0.58 C ATOM 919 CG ASP A 51 -9.967 -4.138 13.046 1.00 1.53 C ATOM 920 OD1 ASP A 51 -10.206 -5.253 12.530 1.00 2.06 O ATOM 921 OD2 ASP A 51 -10.505 -3.080 12.659 1.00 2.37 O ATOM 0 H ASP A 51 -7.060 -3.956 15.745 1.00 0.54 H new ATOM 0 HA ASP A 51 -7.500 -5.360 13.303 1.00 0.52 H new ATOM 0 HB2 ASP A 51 -9.258 -4.778 14.958 1.00 0.58 H new ATOM 0 HB3 ASP A 51 -9.008 -3.074 14.633 1.00 0.58 H new ATOM 926 N ALA A 52 -6.436 -2.279 13.108 1.00 0.43 N ATOM 927 CA ALA A 52 -5.982 -1.259 12.164 1.00 0.41 C ATOM 928 C ALA A 52 -5.006 -1.864 11.169 1.00 0.40 C ATOM 929 O ALA A 52 -5.092 -1.613 9.970 1.00 0.40 O ATOM 930 CB ALA A 52 -5.349 -0.084 12.892 1.00 0.42 C ATOM 0 H ALA A 52 -6.214 -2.086 14.085 1.00 0.43 H new ATOM 0 HA ALA A 52 -6.849 -0.885 11.620 1.00 0.41 H new ATOM 0 HB1 ALA A 52 -5.020 0.660 12.166 1.00 0.42 H new ATOM 0 HB2 ALA A 52 -6.080 0.364 13.565 1.00 0.42 H new ATOM 0 HB3 ALA A 52 -4.492 -0.432 13.468 1.00 0.42 H new ATOM 936 N LYS A 53 -4.072 -2.660 11.688 1.00 0.40 N ATOM 937 CA LYS A 53 -3.091 -3.337 10.858 1.00 0.41 C ATOM 938 C LYS A 53 -3.805 -4.266 9.901 1.00 0.41 C ATOM 939 O LYS A 53 -3.636 -4.173 8.695 1.00 0.40 O ATOM 940 CB LYS A 53 -2.127 -4.153 11.723 1.00 0.47 C ATOM 941 CG LYS A 53 -0.657 -3.820 11.533 1.00 0.52 C ATOM 942 CD LYS A 53 -0.172 -4.136 10.128 1.00 0.94 C ATOM 943 CE LYS A 53 1.320 -3.864 9.984 1.00 0.83 C ATOM 944 NZ LYS A 53 2.132 -4.704 10.903 1.00 1.62 N ATOM 0 H LYS A 53 -3.979 -2.849 12.686 1.00 0.40 H new ATOM 0 HA LYS A 53 -2.523 -2.589 10.305 1.00 0.41 H new ATOM 0 HB2 LYS A 53 -2.386 -4.002 12.771 1.00 0.47 H new ATOM 0 HB3 LYS A 53 -2.275 -5.211 11.507 1.00 0.47 H new ATOM 0 HG2 LYS A 53 -0.496 -2.762 11.741 1.00 0.52 H new ATOM 0 HG3 LYS A 53 -0.063 -4.381 12.255 1.00 0.52 H new ATOM 0 HD2 LYS A 53 -0.377 -5.181 9.896 1.00 0.94 H new ATOM 0 HD3 LYS A 53 -0.725 -3.535 9.406 1.00 0.94 H new ATOM 0 HE2 LYS A 53 1.625 -4.054 8.955 1.00 0.83 H new ATOM 0 HE3 LYS A 53 1.517 -2.811 10.186 1.00 0.83 H new ATOM 0 HZ1 LYS A 53 2.914 -5.140 10.375 1.00 1.62 H new ATOM 0 HZ2 LYS A 53 2.517 -4.111 11.666 1.00 1.62 H new ATOM 0 HZ3 LYS A 53 1.533 -5.449 11.313 1.00 1.62 H new ATOM 958 N LYS A 54 -4.611 -5.155 10.473 1.00 0.44 N ATOM 959 CA LYS A 54 -5.376 -6.121 9.698 1.00 0.47 C ATOM 960 C LYS A 54 -6.162 -5.429 8.581 1.00 0.44 C ATOM 961 O LYS A 54 -6.119 -5.854 7.428 1.00 0.46 O ATOM 962 CB LYS A 54 -6.304 -6.913 10.623 1.00 0.52 C ATOM 963 CG LYS A 54 -7.778 -6.768 10.310 1.00 0.99 C ATOM 964 CD LYS A 54 -8.565 -7.909 10.907 1.00 0.97 C ATOM 965 CE LYS A 54 -9.970 -7.998 10.327 1.00 1.74 C ATOM 966 NZ LYS A 54 -10.700 -6.704 10.397 1.00 2.49 N ATOM 0 H LYS A 54 -4.751 -5.225 11.481 1.00 0.44 H new ATOM 0 HA LYS A 54 -4.684 -6.818 9.224 1.00 0.47 H new ATOM 0 HB2 LYS A 54 -6.036 -7.968 10.568 1.00 0.52 H new ATOM 0 HB3 LYS A 54 -6.131 -6.593 11.651 1.00 0.52 H new ATOM 0 HG2 LYS A 54 -8.147 -5.821 10.703 1.00 0.99 H new ATOM 0 HG3 LYS A 54 -7.925 -6.744 9.230 1.00 0.99 H new ATOM 0 HD2 LYS A 54 -8.038 -8.846 10.727 1.00 0.97 H new ATOM 0 HD3 LYS A 54 -8.626 -7.781 11.988 1.00 0.97 H new ATOM 0 HE2 LYS A 54 -9.910 -8.322 9.288 1.00 1.74 H new ATOM 0 HE3 LYS A 54 -10.534 -8.759 10.866 1.00 1.74 H new ATOM 0 HZ1 LYS A 54 -11.679 -6.874 10.706 1.00 2.49 H new ATOM 0 HZ2 LYS A 54 -10.227 -6.075 11.076 1.00 2.49 H new ATOM 0 HZ3 LYS A 54 -10.706 -6.257 9.458 1.00 2.49 H new ATOM 980 N GLU A 55 -6.847 -4.342 8.926 1.00 0.42 N ATOM 981 CA GLU A 55 -7.653 -3.604 7.981 1.00 0.41 C ATOM 982 C GLU A 55 -6.776 -2.917 6.957 1.00 0.39 C ATOM 983 O GLU A 55 -7.033 -3.028 5.759 1.00 0.41 O ATOM 984 CB GLU A 55 -8.507 -2.591 8.734 1.00 0.42 C ATOM 985 CG GLU A 55 -9.622 -3.222 9.536 1.00 0.89 C ATOM 986 CD GLU A 55 -10.625 -3.961 8.679 1.00 1.39 C ATOM 987 OE1 GLU A 55 -10.331 -5.098 8.254 1.00 2.27 O ATOM 988 OE2 GLU A 55 -11.719 -3.415 8.437 1.00 1.34 O ATOM 0 H GLU A 55 -6.853 -3.955 9.870 1.00 0.42 H new ATOM 0 HA GLU A 55 -8.307 -4.293 7.447 1.00 0.41 H new ATOM 0 HB2 GLU A 55 -7.868 -2.016 9.404 1.00 0.42 H new ATOM 0 HB3 GLU A 55 -8.936 -1.887 8.021 1.00 0.42 H new ATOM 0 HG2 GLU A 55 -9.193 -3.914 10.261 1.00 0.89 H new ATOM 0 HG3 GLU A 55 -10.138 -2.446 10.102 1.00 0.89 H new ATOM 995 N ALA A 56 -5.744 -2.219 7.399 1.00 0.36 N ATOM 996 CA ALA A 56 -4.869 -1.541 6.465 1.00 0.34 C ATOM 997 C ALA A 56 -4.243 -2.550 5.520 1.00 0.36 C ATOM 998 O ALA A 56 -4.332 -2.406 4.307 1.00 0.37 O ATOM 999 CB ALA A 56 -3.808 -0.737 7.187 1.00 0.31 C ATOM 0 H ALA A 56 -5.496 -2.109 8.382 1.00 0.36 H new ATOM 0 HA ALA A 56 -5.464 -0.838 5.882 1.00 0.34 H new ATOM 0 HB1 ALA A 56 -3.168 -0.241 6.457 1.00 0.31 H new ATOM 0 HB2 ALA A 56 -4.286 0.012 7.819 1.00 0.31 H new ATOM 0 HB3 ALA A 56 -3.205 -1.402 7.805 1.00 0.31 H new ATOM 1005 N THR A 57 -3.636 -3.582 6.087 1.00 0.38 N ATOM 1006 CA THR A 57 -3.005 -4.631 5.308 1.00 0.41 C ATOM 1007 C THR A 57 -3.924 -5.181 4.220 1.00 0.44 C ATOM 1008 O THR A 57 -3.528 -5.335 3.068 1.00 0.45 O ATOM 1009 CB THR A 57 -2.562 -5.800 6.210 1.00 0.45 C ATOM 1010 OG1 THR A 57 -1.650 -5.342 7.216 1.00 0.43 O ATOM 1011 CG2 THR A 57 -1.904 -6.893 5.389 1.00 0.51 C ATOM 0 H THR A 57 -3.568 -3.714 7.096 1.00 0.38 H new ATOM 0 HA THR A 57 -2.137 -4.173 4.834 1.00 0.41 H new ATOM 0 HB THR A 57 -3.451 -6.206 6.692 1.00 0.45 H new ATOM 0 HG1 THR A 57 -2.146 -4.872 7.918 1.00 0.43 H new ATOM 0 HG21 THR A 57 -1.599 -7.708 6.046 1.00 0.51 H new ATOM 0 HG22 THR A 57 -2.611 -7.268 4.649 1.00 0.51 H new ATOM 0 HG23 THR A 57 -1.028 -6.489 4.881 1.00 0.51 H new ATOM 1019 N GLU A 58 -5.175 -5.428 4.607 1.00 0.45 N ATOM 1020 CA GLU A 58 -6.193 -5.925 3.691 1.00 0.49 C ATOM 1021 C GLU A 58 -6.633 -4.857 2.686 1.00 0.48 C ATOM 1022 O GLU A 58 -7.038 -5.189 1.572 1.00 0.53 O ATOM 1023 CB GLU A 58 -7.382 -6.484 4.474 1.00 0.52 C ATOM 1024 CG GLU A 58 -7.056 -7.801 5.156 1.00 0.78 C ATOM 1025 CD GLU A 58 -8.288 -8.574 5.566 1.00 1.14 C ATOM 1026 OE1 GLU A 58 -8.941 -9.182 4.692 1.00 1.37 O ATOM 1027 OE2 GLU A 58 -8.612 -8.569 6.771 1.00 1.71 O ATOM 0 H GLU A 58 -5.507 -5.289 5.561 1.00 0.45 H new ATOM 0 HA GLU A 58 -5.753 -6.734 3.109 1.00 0.49 H new ATOM 0 HB2 GLU A 58 -7.694 -5.757 5.224 1.00 0.52 H new ATOM 0 HB3 GLU A 58 -8.225 -6.627 3.798 1.00 0.52 H new ATOM 0 HG2 GLU A 58 -6.457 -8.414 4.483 1.00 0.78 H new ATOM 0 HG3 GLU A 58 -6.446 -7.606 6.038 1.00 0.78 H new ATOM 1034 N HIS A 59 -6.534 -3.584 3.047 1.00 0.43 N ATOM 1035 CA HIS A 59 -6.896 -2.519 2.118 1.00 0.43 C ATOM 1036 C HIS A 59 -5.784 -2.341 1.098 1.00 0.42 C ATOM 1037 O HIS A 59 -6.033 -2.230 -0.108 1.00 0.44 O ATOM 1038 CB HIS A 59 -7.167 -1.198 2.845 1.00 0.40 C ATOM 1039 CG HIS A 59 -8.442 -1.186 3.638 1.00 0.48 C ATOM 1040 ND1 HIS A 59 -9.632 -1.700 3.165 1.00 0.72 N ATOM 1041 CD2 HIS A 59 -8.707 -0.722 4.883 1.00 0.42 C ATOM 1042 CE1 HIS A 59 -10.570 -1.554 4.082 1.00 0.77 C ATOM 1043 NE2 HIS A 59 -10.034 -0.964 5.134 1.00 0.57 N ATOM 0 H HIS A 59 -6.212 -3.266 3.961 1.00 0.43 H new ATOM 0 HA HIS A 59 -7.818 -2.805 1.613 1.00 0.43 H new ATOM 0 HB2 HIS A 59 -6.333 -0.986 3.514 1.00 0.40 H new ATOM 0 HB3 HIS A 59 -7.200 -0.392 2.112 1.00 0.40 H new ATOM 0 HD2 HIS A 59 -8.004 -0.249 5.553 1.00 0.42 H new ATOM 0 HE1 HIS A 59 -11.600 -1.864 3.988 1.00 0.77 H new ATOM 0 HE2 HIS A 59 -10.527 -0.726 5.995 1.00 0.57 H new ATOM 1052 N LEU A 60 -4.556 -2.305 1.595 1.00 0.40 N ATOM 1053 CA LEU A 60 -3.385 -2.330 0.760 1.00 0.40 C ATOM 1054 C LEU A 60 -3.347 -3.582 -0.113 1.00 0.43 C ATOM 1055 O LEU A 60 -2.806 -3.546 -1.213 1.00 0.43 O ATOM 1056 CB LEU A 60 -2.132 -2.240 1.626 1.00 0.39 C ATOM 1057 CG LEU A 60 -1.796 -0.823 2.070 1.00 0.38 C ATOM 1058 CD1 LEU A 60 -2.814 -0.293 3.048 1.00 0.62 C ATOM 1059 CD2 LEU A 60 -0.390 -0.742 2.642 1.00 0.59 C ATOM 0 H LEU A 60 -4.353 -2.258 2.594 1.00 0.40 H new ATOM 0 HA LEU A 60 -3.422 -1.469 0.093 1.00 0.40 H new ATOM 0 HB2 LEU A 60 -2.265 -2.866 2.508 1.00 0.39 H new ATOM 0 HB3 LEU A 60 -1.287 -2.647 1.071 1.00 0.39 H new ATOM 0 HG LEU A 60 -1.831 -0.188 1.185 1.00 0.38 H new ATOM 0 HD11 LEU A 60 -2.542 0.720 3.343 1.00 0.62 H new ATOM 0 HD12 LEU A 60 -3.798 -0.283 2.579 1.00 0.62 H new ATOM 0 HD13 LEU A 60 -2.839 -0.933 3.930 1.00 0.62 H new ATOM 0 HD21 LEU A 60 -0.181 0.283 2.950 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -0.309 -1.404 3.505 1.00 0.59 H new ATOM 0 HD23 LEU A 60 0.330 -1.047 1.882 1.00 0.59 H new ATOM 1071 N LYS A 61 -3.917 -4.689 0.369 1.00 0.46 N ATOM 1072 CA LYS A 61 -4.001 -5.907 -0.435 1.00 0.50 C ATOM 1073 C LYS A 61 -4.822 -5.655 -1.686 1.00 0.53 C ATOM 1074 O LYS A 61 -4.375 -5.943 -2.793 1.00 0.56 O ATOM 1075 CB LYS A 61 -4.610 -7.068 0.356 1.00 0.51 C ATOM 1076 CG LYS A 61 -3.630 -7.766 1.285 1.00 0.57 C ATOM 1077 CD LYS A 61 -4.282 -8.936 2.004 1.00 0.57 C ATOM 1078 CE LYS A 61 -3.289 -9.676 2.885 1.00 0.59 C ATOM 1079 NZ LYS A 61 -3.920 -10.813 3.604 1.00 0.67 N ATOM 0 H LYS A 61 -4.323 -4.766 1.302 1.00 0.46 H new ATOM 0 HA LYS A 61 -2.985 -6.185 -0.714 1.00 0.50 H new ATOM 0 HB2 LYS A 61 -5.448 -6.693 0.944 1.00 0.51 H new ATOM 0 HB3 LYS A 61 -5.014 -7.799 -0.345 1.00 0.51 H new ATOM 0 HG2 LYS A 61 -2.774 -8.121 0.712 1.00 0.57 H new ATOM 0 HG3 LYS A 61 -3.250 -7.053 2.017 1.00 0.57 H new ATOM 0 HD2 LYS A 61 -5.110 -8.573 2.613 1.00 0.57 H new ATOM 0 HD3 LYS A 61 -4.703 -9.625 1.272 1.00 0.57 H new ATOM 0 HE2 LYS A 61 -2.467 -10.046 2.272 1.00 0.59 H new ATOM 0 HE3 LYS A 61 -2.860 -8.983 3.609 1.00 0.59 H new ATOM 0 HZ1 LYS A 61 -3.208 -11.290 4.193 1.00 0.67 H new ATOM 0 HZ2 LYS A 61 -4.688 -10.458 4.209 1.00 0.67 H new ATOM 0 HZ3 LYS A 61 -4.307 -11.488 2.914 1.00 0.67 H new ATOM 1093 N GLY A 62 -6.032 -5.133 -1.507 1.00 0.53 N ATOM 1094 CA GLY A 62 -6.854 -4.754 -2.638 1.00 0.56 C ATOM 1095 C GLY A 62 -6.154 -3.749 -3.530 1.00 0.55 C ATOM 1096 O GLY A 62 -6.261 -3.817 -4.751 1.00 0.59 O ATOM 0 H GLY A 62 -6.457 -4.966 -0.595 1.00 0.53 H new ATOM 0 HA2 GLY A 62 -7.106 -5.642 -3.218 1.00 0.56 H new ATOM 0 HA3 GLY A 62 -7.792 -4.331 -2.280 1.00 0.56 H new ATOM 1100 N GLY A 63 -5.441 -2.808 -2.915 1.00 0.50 N ATOM 1101 CA GLY A 63 -4.646 -1.859 -3.675 1.00 0.49 C ATOM 1102 C GLY A 63 -3.584 -2.547 -4.503 1.00 0.49 C ATOM 1103 O GLY A 63 -3.384 -2.222 -5.673 1.00 0.50 O ATOM 0 H GLY A 63 -5.400 -2.686 -1.903 1.00 0.50 H new ATOM 0 HA2 GLY A 63 -5.299 -1.281 -4.329 1.00 0.49 H new ATOM 0 HA3 GLY A 63 -4.173 -1.153 -2.992 1.00 0.49 H new ATOM 1107 N CYS A 64 -2.909 -3.506 -3.888 1.00 0.51 N ATOM 1108 CA CYS A 64 -1.930 -4.323 -4.583 1.00 0.55 C ATOM 1109 C CYS A 64 -2.600 -5.095 -5.704 1.00 0.56 C ATOM 1110 O CYS A 64 -2.061 -5.213 -6.799 1.00 0.56 O ATOM 1111 CB CYS A 64 -1.261 -5.298 -3.615 1.00 0.68 C ATOM 1112 SG CYS A 64 -0.114 -6.461 -4.418 1.00 1.13 S ATOM 0 H CYS A 64 -3.024 -3.738 -2.901 1.00 0.51 H new ATOM 0 HA CYS A 64 -1.168 -3.666 -5.002 1.00 0.55 H new ATOM 0 HB2 CYS A 64 -0.718 -4.730 -2.860 1.00 0.68 H new ATOM 0 HB3 CYS A 64 -2.033 -5.865 -3.094 1.00 0.68 H new ATOM 1117 N ARG A 65 -3.786 -5.607 -5.416 1.00 0.62 N ATOM 1118 CA ARG A 65 -4.565 -6.347 -6.390 1.00 0.67 C ATOM 1119 C ARG A 65 -4.878 -5.467 -7.597 1.00 0.65 C ATOM 1120 O ARG A 65 -4.790 -5.920 -8.729 1.00 0.79 O ATOM 1121 CB ARG A 65 -5.850 -6.870 -5.740 1.00 0.76 C ATOM 1122 CG ARG A 65 -6.691 -7.754 -6.647 1.00 0.86 C ATOM 1123 CD ARG A 65 -7.884 -8.333 -5.904 1.00 1.49 C ATOM 1124 NE ARG A 65 -7.483 -9.264 -4.843 1.00 2.07 N ATOM 1125 CZ ARG A 65 -8.345 -9.865 -4.017 1.00 2.91 C ATOM 1126 NH1 ARG A 65 -9.643 -9.603 -4.102 1.00 3.31 N ATOM 1127 NH2 ARG A 65 -7.905 -10.722 -3.099 1.00 3.80 N ATOM 0 H ARG A 65 -4.233 -5.521 -4.503 1.00 0.62 H new ATOM 0 HA ARG A 65 -3.985 -7.201 -6.739 1.00 0.67 H new ATOM 0 HB2 ARG A 65 -5.588 -7.433 -4.844 1.00 0.76 H new ATOM 0 HB3 ARG A 65 -6.453 -6.021 -5.418 1.00 0.76 H new ATOM 0 HG2 ARG A 65 -7.039 -7.174 -7.502 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -6.077 -8.564 -7.040 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -8.467 -7.521 -5.470 1.00 1.49 H new ATOM 0 HD3 ARG A 65 -8.533 -8.850 -6.611 1.00 1.49 H new ATOM 0 HE ARG A 65 -6.489 -9.464 -4.729 1.00 2.07 H new ATOM 0 HH11 ARG A 65 -9.985 -8.942 -4.799 1.00 3.31 H new ATOM 0 HH12 ARG A 65 -10.299 -10.063 -3.470 1.00 3.31 H new ATOM 0 HH21 ARG A 65 -6.908 -10.922 -3.024 1.00 3.80 H new ATOM 0 HH22 ARG A 65 -8.565 -11.179 -2.470 1.00 3.80 H new ATOM 1141 N GLU A 66 -5.210 -4.203 -7.348 1.00 0.55 N ATOM 1142 CA GLU A 66 -5.489 -3.251 -8.422 1.00 0.55 C ATOM 1143 C GLU A 66 -4.252 -2.999 -9.280 1.00 0.48 C ATOM 1144 O GLU A 66 -4.340 -2.914 -10.507 1.00 0.47 O ATOM 1145 CB GLU A 66 -6.004 -1.929 -7.849 1.00 0.62 C ATOM 1146 CG GLU A 66 -7.424 -2.014 -7.321 1.00 0.75 C ATOM 1147 CD GLU A 66 -8.412 -2.419 -8.397 1.00 1.27 C ATOM 1148 OE1 GLU A 66 -8.691 -1.596 -9.292 1.00 1.61 O ATOM 1149 OE2 GLU A 66 -8.908 -3.561 -8.355 1.00 2.02 O ATOM 0 H GLU A 66 -5.293 -3.812 -6.409 1.00 0.55 H new ATOM 0 HA GLU A 66 -6.260 -3.689 -9.056 1.00 0.55 H new ATOM 0 HB2 GLU A 66 -5.343 -1.609 -7.043 1.00 0.62 H new ATOM 0 HB3 GLU A 66 -5.957 -1.163 -8.623 1.00 0.62 H new ATOM 0 HG2 GLU A 66 -7.463 -2.735 -6.504 1.00 0.75 H new ATOM 0 HG3 GLU A 66 -7.715 -1.048 -6.908 1.00 0.75 H new ATOM 1156 N ILE A 67 -3.098 -2.881 -8.633 1.00 0.47 N ATOM 1157 CA ILE A 67 -1.840 -2.701 -9.348 1.00 0.47 C ATOM 1158 C ILE A 67 -1.447 -3.984 -10.072 1.00 0.45 C ATOM 1159 O ILE A 67 -0.981 -3.947 -11.209 1.00 0.45 O ATOM 1160 CB ILE A 67 -0.704 -2.257 -8.398 1.00 0.58 C ATOM 1161 CG1 ILE A 67 -0.947 -0.811 -7.952 1.00 0.67 C ATOM 1162 CG2 ILE A 67 0.663 -2.400 -9.070 1.00 0.60 C ATOM 1163 CD1 ILE A 67 0.096 -0.272 -6.997 1.00 0.81 C ATOM 0 H ILE A 67 -3.007 -2.907 -7.617 1.00 0.47 H new ATOM 0 HA ILE A 67 -1.991 -1.910 -10.083 1.00 0.47 H new ATOM 0 HB ILE A 67 -0.704 -2.904 -7.521 1.00 0.58 H new ATOM 0 HG12 ILE A 67 -0.981 -0.172 -8.834 1.00 0.67 H new ATOM 0 HG13 ILE A 67 -1.926 -0.749 -7.476 1.00 0.67 H new ATOM 0 HG21 ILE A 67 1.443 -2.081 -8.379 1.00 0.60 H new ATOM 0 HG22 ILE A 67 0.826 -3.442 -9.345 1.00 0.60 H new ATOM 0 HG23 ILE A 67 0.695 -1.779 -9.965 1.00 0.60 H new ATOM 0 HD11 ILE A 67 -0.151 0.756 -6.731 1.00 0.81 H new ATOM 0 HD12 ILE A 67 0.116 -0.885 -6.096 1.00 0.81 H new ATOM 0 HD13 ILE A 67 1.075 -0.298 -7.475 1.00 0.81 H new ATOM 1175 N LEU A 68 -1.657 -5.115 -9.417 1.00 0.61 N ATOM 1176 CA LEU A 68 -1.383 -6.421 -10.005 1.00 0.80 C ATOM 1177 C LEU A 68 -2.330 -6.666 -11.179 1.00 0.82 C ATOM 1178 O LEU A 68 -2.006 -7.360 -12.141 1.00 0.88 O ATOM 1179 CB LEU A 68 -1.541 -7.503 -8.939 1.00 1.12 C ATOM 1180 CG LEU A 68 -0.933 -8.858 -9.284 1.00 1.34 C ATOM 1181 CD1 LEU A 68 0.538 -8.703 -9.652 1.00 1.58 C ATOM 1182 CD2 LEU A 68 -1.088 -9.807 -8.109 1.00 1.71 C ATOM 0 H LEU A 68 -2.021 -5.156 -8.465 1.00 0.61 H new ATOM 0 HA LEU A 68 -0.360 -6.451 -10.379 1.00 0.80 H new ATOM 0 HB2 LEU A 68 -1.088 -7.146 -8.014 1.00 1.12 H new ATOM 0 HB3 LEU A 68 -2.604 -7.641 -8.741 1.00 1.12 H new ATOM 0 HG LEU A 68 -1.459 -9.272 -10.144 1.00 1.34 H new ATOM 0 HD11 LEU A 68 0.957 -9.679 -9.896 1.00 1.58 H new ATOM 0 HD12 LEU A 68 0.630 -8.043 -10.515 1.00 1.58 H new ATOM 0 HD13 LEU A 68 1.081 -8.275 -8.809 1.00 1.58 H new ATOM 0 HD21 LEU A 68 -0.652 -10.773 -8.362 1.00 1.71 H new ATOM 0 HD22 LEU A 68 -0.577 -9.395 -7.239 1.00 1.71 H new ATOM 0 HD23 LEU A 68 -2.146 -9.935 -7.882 1.00 1.71 H new ATOM 1194 N LYS A 69 -3.467 -5.999 -11.093 1.00 0.95 N ATOM 1195 CA LYS A 69 -4.435 -6.007 -12.182 1.00 1.24 C ATOM 1196 C LYS A 69 -3.920 -5.214 -13.372 1.00 1.20 C ATOM 1197 O LYS A 69 -4.482 -5.274 -14.466 1.00 1.61 O ATOM 1198 CB LYS A 69 -5.803 -5.493 -11.725 1.00 1.39 C ATOM 1199 CG LYS A 69 -6.624 -6.546 -10.991 1.00 1.43 C ATOM 1200 CD LYS A 69 -7.823 -5.942 -10.277 1.00 1.50 C ATOM 1201 CE LYS A 69 -8.797 -5.292 -11.243 1.00 1.68 C ATOM 1202 NZ LYS A 69 -9.948 -4.676 -10.533 1.00 2.22 N ATOM 0 H LYS A 69 -3.745 -5.445 -10.283 1.00 0.95 H new ATOM 0 HA LYS A 69 -4.567 -7.042 -12.497 1.00 1.24 H new ATOM 0 HB2 LYS A 69 -5.661 -4.632 -11.072 1.00 1.39 H new ATOM 0 HB3 LYS A 69 -6.362 -5.146 -12.594 1.00 1.39 H new ATOM 0 HG2 LYS A 69 -6.967 -7.298 -11.702 1.00 1.43 H new ATOM 0 HG3 LYS A 69 -5.991 -7.058 -10.266 1.00 1.43 H new ATOM 0 HD2 LYS A 69 -8.338 -6.720 -9.713 1.00 1.50 H new ATOM 0 HD3 LYS A 69 -7.479 -5.200 -9.556 1.00 1.50 H new ATOM 0 HE2 LYS A 69 -8.278 -4.530 -11.825 1.00 1.68 H new ATOM 0 HE3 LYS A 69 -9.162 -6.038 -11.949 1.00 1.68 H new ATOM 0 HZ1 LYS A 69 -10.410 -3.983 -11.156 1.00 2.22 H new ATOM 0 HZ2 LYS A 69 -10.631 -5.416 -10.271 1.00 2.22 H new ATOM 0 HZ3 LYS A 69 -9.610 -4.197 -9.674 1.00 2.22 H new ATOM 1216 N HIS A 70 -2.854 -4.462 -13.148 1.00 1.05 N ATOM 1217 CA HIS A 70 -2.214 -3.702 -14.202 1.00 1.16 C ATOM 1218 C HIS A 70 -0.965 -4.438 -14.671 1.00 0.91 C ATOM 1219 O HIS A 70 -0.809 -4.759 -15.847 1.00 0.89 O ATOM 1220 CB HIS A 70 -1.848 -2.296 -13.722 1.00 1.41 C ATOM 1221 CG HIS A 70 -1.161 -1.473 -14.766 1.00 1.41 C ATOM 1222 ND1 HIS A 70 -1.827 -0.591 -15.585 1.00 1.59 N ATOM 1223 CD2 HIS A 70 0.144 -1.406 -15.124 1.00 1.49 C ATOM 1224 CE1 HIS A 70 -0.966 -0.018 -16.401 1.00 1.76 C ATOM 1225 NE2 HIS A 70 0.237 -0.492 -16.142 1.00 1.74 N ATOM 0 H HIS A 70 -2.412 -4.364 -12.234 1.00 1.05 H new ATOM 0 HA HIS A 70 -2.913 -3.601 -15.033 1.00 1.16 H new ATOM 0 HB2 HIS A 70 -2.754 -1.782 -13.402 1.00 1.41 H new ATOM 0 HB3 HIS A 70 -1.201 -2.375 -12.848 1.00 1.41 H new ATOM 0 HD2 HIS A 70 0.958 -1.967 -14.689 1.00 1.49 H new ATOM 0 HE1 HIS A 70 -1.205 0.717 -17.156 1.00 1.76 H new ATOM 0 HE2 HIS A 70 1.096 -0.223 -16.621 1.00 1.74 H new ATOM 1234 N VAL A 71 -0.075 -4.678 -13.706 1.00 0.76 N ATOM 1235 CA VAL A 71 1.257 -5.174 -13.964 1.00 0.69 C ATOM 1236 C VAL A 71 1.253 -6.609 -14.483 1.00 0.52 C ATOM 1237 O VAL A 71 1.904 -6.910 -15.480 1.00 0.59 O ATOM 1238 CB VAL A 71 2.138 -5.026 -12.697 1.00 0.81 C ATOM 1239 CG1 VAL A 71 1.510 -5.645 -11.491 1.00 1.01 C ATOM 1240 CG2 VAL A 71 3.512 -5.590 -12.903 1.00 1.46 C ATOM 0 H VAL A 71 -0.272 -4.528 -12.716 1.00 0.76 H new ATOM 0 HA VAL A 71 1.689 -4.566 -14.759 1.00 0.69 H new ATOM 0 HB VAL A 71 2.225 -3.954 -12.519 1.00 0.81 H new ATOM 0 HG11 VAL A 71 2.167 -5.514 -10.631 1.00 1.01 H new ATOM 0 HG12 VAL A 71 0.552 -5.164 -11.292 1.00 1.01 H new ATOM 0 HG13 VAL A 71 1.352 -6.709 -11.668 1.00 1.01 H new ATOM 0 HG21 VAL A 71 4.097 -5.466 -11.991 1.00 1.46 H new ATOM 0 HG22 VAL A 71 3.438 -6.650 -13.145 1.00 1.46 H new ATOM 0 HG23 VAL A 71 4.002 -5.064 -13.723 1.00 1.46 H new ATOM 1250 N VAL A 72 0.527 -7.500 -13.836 1.00 0.44 N ATOM 1251 CA VAL A 72 0.450 -8.850 -14.336 1.00 0.46 C ATOM 1252 C VAL A 72 -0.798 -9.025 -15.199 1.00 0.47 C ATOM 1253 O VAL A 72 -0.818 -9.835 -16.129 1.00 0.64 O ATOM 1254 CB VAL A 72 0.482 -9.895 -13.204 1.00 0.52 C ATOM 1255 CG1 VAL A 72 -0.912 -10.219 -12.686 1.00 0.74 C ATOM 1256 CG2 VAL A 72 1.221 -11.117 -13.679 1.00 0.80 C ATOM 0 H VAL A 72 -0.004 -7.317 -12.985 1.00 0.44 H new ATOM 0 HA VAL A 72 1.334 -9.021 -14.950 1.00 0.46 H new ATOM 0 HB VAL A 72 1.018 -9.478 -12.351 1.00 0.52 H new ATOM 0 HG11 VAL A 72 -0.841 -10.960 -11.889 1.00 0.74 H new ATOM 0 HG12 VAL A 72 -1.376 -9.312 -12.298 1.00 0.74 H new ATOM 0 HG13 VAL A 72 -1.519 -10.618 -13.499 1.00 0.74 H new ATOM 0 HG21 VAL A 72 1.247 -11.860 -12.882 1.00 0.80 H new ATOM 0 HG22 VAL A 72 0.713 -11.535 -14.548 1.00 0.80 H new ATOM 0 HG23 VAL A 72 2.240 -10.843 -13.952 1.00 0.80 H new ATOM 1266 N GLY A 73 -1.826 -8.246 -14.900 1.00 0.45 N ATOM 1267 CA GLY A 73 -3.047 -8.300 -15.672 1.00 0.48 C ATOM 1268 C GLY A 73 -4.141 -9.053 -14.952 1.00 0.50 C ATOM 1269 O GLY A 73 -3.882 -9.759 -13.974 1.00 0.55 O ATOM 0 H GLY A 73 -1.835 -7.574 -14.132 1.00 0.45 H new ATOM 0 HA2 GLY A 73 -3.385 -7.286 -15.886 1.00 0.48 H new ATOM 0 HA3 GLY A 73 -2.848 -8.779 -16.631 1.00 0.48 H new ATOM 1273 N GLU A 74 -5.369 -8.911 -15.436 1.00 0.54 N ATOM 1274 CA GLU A 74 -6.516 -9.569 -14.827 1.00 0.58 C ATOM 1275 C GLU A 74 -6.367 -11.089 -14.896 1.00 0.53 C ATOM 1276 O GLU A 74 -6.761 -11.798 -13.977 1.00 0.60 O ATOM 1277 CB GLU A 74 -7.802 -9.113 -15.518 1.00 0.69 C ATOM 1278 CG GLU A 74 -9.066 -9.697 -14.915 1.00 1.45 C ATOM 1279 CD GLU A 74 -10.315 -9.003 -15.412 1.00 1.80 C ATOM 1280 OE1 GLU A 74 -10.728 -9.273 -16.558 1.00 2.31 O ATOM 1281 OE2 GLU A 74 -10.885 -8.188 -14.661 1.00 2.10 O ATOM 0 H GLU A 74 -5.595 -8.343 -16.252 1.00 0.54 H new ATOM 0 HA GLU A 74 -6.567 -9.288 -13.775 1.00 0.58 H new ATOM 0 HB2 GLU A 74 -7.860 -8.025 -15.475 1.00 0.69 H new ATOM 0 HB3 GLU A 74 -7.754 -9.388 -16.572 1.00 0.69 H new ATOM 0 HG2 GLU A 74 -9.123 -10.759 -15.155 1.00 1.45 H new ATOM 0 HG3 GLU A 74 -9.017 -9.618 -13.829 1.00 1.45 H new ATOM 1288 N GLU A 75 -5.777 -11.560 -15.990 1.00 0.54 N ATOM 1289 CA GLU A 75 -5.462 -12.976 -16.192 1.00 0.55 C ATOM 1290 C GLU A 75 -4.821 -13.612 -14.963 1.00 0.53 C ATOM 1291 O GLU A 75 -5.385 -14.522 -14.354 1.00 0.56 O ATOM 1292 CB GLU A 75 -4.502 -13.106 -17.375 1.00 0.58 C ATOM 1293 CG GLU A 75 -4.114 -14.539 -17.698 1.00 0.95 C ATOM 1294 CD GLU A 75 -3.025 -14.621 -18.744 1.00 1.29 C ATOM 1295 OE1 GLU A 75 -3.287 -14.270 -19.913 1.00 1.31 O ATOM 1296 OE2 GLU A 75 -1.901 -15.038 -18.401 1.00 2.00 O ATOM 0 H GLU A 75 -5.500 -10.966 -16.771 1.00 0.54 H new ATOM 0 HA GLU A 75 -6.399 -13.499 -16.383 1.00 0.55 H new ATOM 0 HB2 GLU A 75 -4.963 -12.657 -18.255 1.00 0.58 H new ATOM 0 HB3 GLU A 75 -3.599 -12.535 -17.162 1.00 0.58 H new ATOM 0 HG2 GLU A 75 -3.777 -15.035 -16.788 1.00 0.95 H new ATOM 0 HG3 GLU A 75 -4.993 -15.080 -18.049 1.00 0.95 H new ATOM 1303 N LYS A 76 -3.646 -13.125 -14.603 1.00 0.50 N ATOM 1304 CA LYS A 76 -2.841 -13.764 -13.578 1.00 0.51 C ATOM 1305 C LYS A 76 -3.349 -13.426 -12.184 1.00 0.55 C ATOM 1306 O LYS A 76 -3.334 -14.272 -11.290 1.00 0.57 O ATOM 1307 CB LYS A 76 -1.378 -13.354 -13.754 1.00 0.47 C ATOM 1308 CG LYS A 76 -0.440 -13.809 -12.644 1.00 1.16 C ATOM 1309 CD LYS A 76 -0.442 -15.321 -12.454 1.00 1.43 C ATOM 1310 CE LYS A 76 -0.038 -16.061 -13.725 1.00 0.71 C ATOM 1311 NZ LYS A 76 1.313 -15.676 -14.212 1.00 1.13 N ATOM 0 H LYS A 76 -3.228 -12.287 -15.007 1.00 0.50 H new ATOM 0 HA LYS A 76 -2.920 -14.846 -13.688 1.00 0.51 H new ATOM 0 HB2 LYS A 76 -1.016 -13.755 -14.701 1.00 0.47 H new ATOM 0 HB3 LYS A 76 -1.328 -12.268 -13.828 1.00 0.47 H new ATOM 0 HG2 LYS A 76 0.573 -13.477 -12.871 1.00 1.16 H new ATOM 0 HG3 LYS A 76 -0.730 -13.329 -11.709 1.00 1.16 H new ATOM 0 HD2 LYS A 76 0.243 -15.585 -11.648 1.00 1.43 H new ATOM 0 HD3 LYS A 76 -1.436 -15.646 -12.147 1.00 1.43 H new ATOM 0 HE2 LYS A 76 -0.059 -17.134 -13.537 1.00 0.71 H new ATOM 0 HE3 LYS A 76 -0.772 -15.860 -14.506 1.00 0.71 H new ATOM 0 HZ1 LYS A 76 1.508 -16.158 -15.113 1.00 1.13 H new ATOM 0 HZ2 LYS A 76 1.350 -14.647 -14.355 1.00 1.13 H new ATOM 0 HZ3 LYS A 76 2.028 -15.954 -13.509 1.00 1.13 H new ATOM 1325 N ALA A 77 -3.811 -12.197 -11.996 1.00 0.57 N ATOM 1326 CA ALA A 77 -4.369 -11.787 -10.717 1.00 0.64 C ATOM 1327 C ALA A 77 -5.606 -12.619 -10.397 1.00 0.65 C ATOM 1328 O ALA A 77 -5.914 -12.875 -9.234 1.00 0.70 O ATOM 1329 CB ALA A 77 -4.708 -10.303 -10.730 1.00 0.68 C ATOM 0 H ALA A 77 -3.810 -11.470 -12.711 1.00 0.57 H new ATOM 0 HA ALA A 77 -3.624 -11.956 -9.940 1.00 0.64 H new ATOM 0 HB1 ALA A 77 -5.124 -10.016 -9.764 1.00 0.68 H new ATOM 0 HB2 ALA A 77 -3.804 -9.725 -10.922 1.00 0.68 H new ATOM 0 HB3 ALA A 77 -5.439 -10.104 -11.514 1.00 0.68 H new ATOM 1335 N ALA A 78 -6.299 -13.057 -11.446 1.00 0.63 N ATOM 1336 CA ALA A 78 -7.453 -13.927 -11.303 1.00 0.67 C ATOM 1337 C ALA A 78 -7.024 -15.274 -10.738 1.00 0.67 C ATOM 1338 O ALA A 78 -7.711 -15.868 -9.904 1.00 0.73 O ATOM 1339 CB ALA A 78 -8.138 -14.108 -12.650 1.00 0.66 C ATOM 0 H ALA A 78 -6.074 -12.818 -12.412 1.00 0.63 H new ATOM 0 HA ALA A 78 -8.161 -13.470 -10.611 1.00 0.67 H new ATOM 0 HB1 ALA A 78 -9.002 -14.762 -12.534 1.00 0.66 H new ATOM 0 HB2 ALA A 78 -8.465 -13.138 -13.025 1.00 0.66 H new ATOM 0 HB3 ALA A 78 -7.438 -14.554 -13.357 1.00 0.66 H new ATOM 1345 N GLU A 79 -5.861 -15.730 -11.176 1.00 0.62 N ATOM 1346 CA GLU A 79 -5.343 -17.026 -10.772 1.00 0.65 C ATOM 1347 C GLU A 79 -4.729 -16.961 -9.388 1.00 0.66 C ATOM 1348 O GLU A 79 -4.730 -17.946 -8.662 1.00 0.67 O ATOM 1349 CB GLU A 79 -4.289 -17.505 -11.760 1.00 0.65 C ATOM 1350 CG GLU A 79 -4.743 -17.432 -13.199 1.00 0.85 C ATOM 1351 CD GLU A 79 -3.765 -18.085 -14.145 1.00 0.87 C ATOM 1352 OE1 GLU A 79 -3.826 -19.320 -14.307 1.00 1.26 O ATOM 1353 OE2 GLU A 79 -2.931 -17.370 -14.734 1.00 1.33 O ATOM 0 H GLU A 79 -5.255 -15.217 -11.816 1.00 0.62 H new ATOM 0 HA GLU A 79 -6.179 -17.725 -10.756 1.00 0.65 H new ATOM 0 HB2 GLU A 79 -3.388 -16.904 -11.639 1.00 0.65 H new ATOM 0 HB3 GLU A 79 -4.020 -18.534 -11.523 1.00 0.65 H new ATOM 0 HG2 GLU A 79 -5.715 -17.915 -13.295 1.00 0.85 H new ATOM 0 HG3 GLU A 79 -4.877 -16.388 -13.482 1.00 0.85 H new ATOM 1360 N LEU A 80 -4.249 -15.783 -9.015 1.00 0.66 N ATOM 1361 CA LEU A 80 -3.699 -15.556 -7.691 1.00 0.70 C ATOM 1362 C LEU A 80 -4.802 -15.437 -6.647 1.00 0.74 C ATOM 1363 O LEU A 80 -4.608 -15.790 -5.482 1.00 0.80 O ATOM 1364 CB LEU A 80 -2.825 -14.308 -7.722 1.00 0.71 C ATOM 1365 CG LEU A 80 -1.508 -14.502 -8.473 1.00 0.66 C ATOM 1366 CD1 LEU A 80 -0.894 -13.176 -8.862 1.00 0.97 C ATOM 1367 CD2 LEU A 80 -0.549 -15.291 -7.616 1.00 0.98 C ATOM 0 H LEU A 80 -4.231 -14.962 -9.621 1.00 0.66 H new ATOM 0 HA LEU A 80 -3.087 -16.412 -7.405 1.00 0.70 H new ATOM 0 HB2 LEU A 80 -3.383 -13.495 -8.188 1.00 0.71 H new ATOM 0 HB3 LEU A 80 -2.608 -14.001 -6.699 1.00 0.71 H new ATOM 0 HG LEU A 80 -1.714 -15.052 -9.391 1.00 0.66 H new ATOM 0 HD11 LEU A 80 0.041 -13.350 -9.394 1.00 0.97 H new ATOM 0 HD12 LEU A 80 -1.583 -12.631 -9.508 1.00 0.97 H new ATOM 0 HD13 LEU A 80 -0.697 -12.589 -7.965 1.00 0.97 H new ATOM 0 HD21 LEU A 80 0.390 -15.429 -8.153 1.00 0.98 H new ATOM 0 HD22 LEU A 80 -0.361 -14.750 -6.688 1.00 0.98 H new ATOM 0 HD23 LEU A 80 -0.982 -16.265 -7.387 1.00 0.98 H new ATOM 1379 N LYS A 81 -5.964 -14.954 -7.069 1.00 0.74 N ATOM 1380 CA LYS A 81 -7.117 -14.903 -6.186 1.00 0.79 C ATOM 1381 C LYS A 81 -7.602 -16.313 -5.876 1.00 0.77 C ATOM 1382 O LYS A 81 -7.703 -16.702 -4.709 1.00 0.79 O ATOM 1383 CB LYS A 81 -8.249 -14.083 -6.801 1.00 0.83 C ATOM 1384 CG LYS A 81 -7.938 -12.597 -6.885 1.00 1.18 C ATOM 1385 CD LYS A 81 -9.162 -11.789 -7.284 1.00 1.34 C ATOM 1386 CE LYS A 81 -9.648 -12.138 -8.683 1.00 1.68 C ATOM 1387 NZ LYS A 81 -10.912 -11.435 -9.025 1.00 2.12 N ATOM 0 H LYS A 81 -6.130 -14.595 -8.009 1.00 0.74 H new ATOM 0 HA LYS A 81 -6.811 -14.416 -5.260 1.00 0.79 H new ATOM 0 HB2 LYS A 81 -8.459 -14.460 -7.802 1.00 0.83 H new ATOM 0 HB3 LYS A 81 -9.154 -14.225 -6.210 1.00 0.83 H new ATOM 0 HG2 LYS A 81 -7.569 -12.247 -5.921 1.00 1.18 H new ATOM 0 HG3 LYS A 81 -7.141 -12.432 -7.610 1.00 1.18 H new ATOM 0 HD2 LYS A 81 -9.963 -11.968 -6.567 1.00 1.34 H new ATOM 0 HD3 LYS A 81 -8.925 -10.726 -7.238 1.00 1.34 H new ATOM 0 HE2 LYS A 81 -8.879 -11.876 -9.410 1.00 1.68 H new ATOM 0 HE3 LYS A 81 -9.801 -13.215 -8.756 1.00 1.68 H new ATOM 0 HZ1 LYS A 81 -11.208 -11.701 -9.986 1.00 2.12 H new ATOM 0 HZ2 LYS A 81 -11.653 -11.705 -8.347 1.00 2.12 H new ATOM 0 HZ3 LYS A 81 -10.760 -10.407 -8.981 1.00 2.12 H new ATOM 1401 N ASN A 82 -7.867 -17.084 -6.928 1.00 0.75 N ATOM 1402 CA ASN A 82 -8.328 -18.462 -6.775 1.00 0.75 C ATOM 1403 C ASN A 82 -7.272 -19.291 -6.057 1.00 0.74 C ATOM 1404 O ASN A 82 -7.609 -20.144 -5.231 1.00 0.80 O ATOM 1405 CB ASN A 82 -8.640 -19.084 -8.143 1.00 0.73 C ATOM 1406 CG ASN A 82 -9.215 -20.495 -8.057 1.00 0.87 C ATOM 1407 OD1 ASN A 82 -8.946 -21.334 -8.918 1.00 1.42 O ATOM 1408 ND2 ASN A 82 -10.030 -20.770 -7.044 1.00 1.54 N ATOM 0 H ASN A 82 -7.770 -16.778 -7.896 1.00 0.75 H new ATOM 0 HA ASN A 82 -9.242 -18.454 -6.180 1.00 0.75 H new ATOM 0 HB2 ASN A 82 -9.347 -18.444 -8.671 1.00 0.73 H new ATOM 0 HB3 ASN A 82 -7.727 -19.109 -8.738 1.00 0.73 H new ATOM 0 HD21 ASN A 82 -10.451 -21.696 -6.965 1.00 1.54 H new ATOM 0 HD22 ASN A 82 -10.235 -20.055 -6.346 1.00 1.54 H new ATOM 1415 N LEU A 83 -6.005 -19.036 -6.378 1.00 0.72 N ATOM 1416 CA LEU A 83 -4.894 -19.707 -5.746 1.00 0.72 C ATOM 1417 C LEU A 83 -5.055 -19.737 -4.235 1.00 0.74 C ATOM 1418 O LEU A 83 -5.208 -20.797 -3.632 1.00 0.77 O ATOM 1419 CB LEU A 83 -3.612 -18.951 -6.080 1.00 0.75 C ATOM 1420 CG LEU A 83 -2.479 -19.817 -6.607 1.00 0.73 C ATOM 1421 CD1 LEU A 83 -2.636 -20.081 -8.095 1.00 1.05 C ATOM 1422 CD2 LEU A 83 -1.130 -19.190 -6.307 1.00 1.37 C ATOM 0 H LEU A 83 -5.730 -18.355 -7.086 1.00 0.72 H new ATOM 0 HA LEU A 83 -4.856 -20.732 -6.114 1.00 0.72 H new ATOM 0 HB2 LEU A 83 -3.841 -18.186 -6.822 1.00 0.75 H new ATOM 0 HB3 LEU A 83 -3.268 -18.434 -5.184 1.00 0.75 H new ATOM 0 HG LEU A 83 -2.527 -20.776 -6.091 1.00 0.73 H new ATOM 0 HD11 LEU A 83 -1.811 -20.703 -8.443 1.00 1.05 H new ATOM 0 HD12 LEU A 83 -3.580 -20.596 -8.276 1.00 1.05 H new ATOM 0 HD13 LEU A 83 -2.630 -19.134 -8.635 1.00 1.05 H new ATOM 0 HD21 LEU A 83 -0.337 -19.830 -6.695 1.00 1.37 H new ATOM 0 HD22 LEU A 83 -1.070 -18.210 -6.781 1.00 1.37 H new ATOM 0 HD23 LEU A 83 -1.012 -19.079 -5.229 1.00 1.37 H new ATOM 1434 N LYS A 84 -5.094 -18.556 -3.650 1.00 0.76 N ATOM 1435 CA LYS A 84 -5.032 -18.422 -2.207 1.00 0.81 C ATOM 1436 C LYS A 84 -6.345 -18.828 -1.551 1.00 0.83 C ATOM 1437 O LYS A 84 -6.346 -19.528 -0.537 1.00 0.87 O ATOM 1438 CB LYS A 84 -4.660 -16.989 -1.837 1.00 0.88 C ATOM 1439 CG LYS A 84 -4.899 -16.656 -0.376 1.00 0.96 C ATOM 1440 CD LYS A 84 -4.392 -15.271 -0.020 1.00 1.19 C ATOM 1441 CE LYS A 84 -4.476 -15.030 1.478 1.00 1.54 C ATOM 1442 NZ LYS A 84 -3.626 -15.984 2.238 1.00 2.27 N ATOM 0 H LYS A 84 -5.169 -17.672 -4.154 1.00 0.76 H new ATOM 0 HA LYS A 84 -4.262 -19.097 -1.833 1.00 0.81 H new ATOM 0 HB2 LYS A 84 -3.608 -16.824 -2.071 1.00 0.88 H new ATOM 0 HB3 LYS A 84 -5.236 -16.302 -2.456 1.00 0.88 H new ATOM 0 HG2 LYS A 84 -5.965 -16.719 -0.159 1.00 0.96 H new ATOM 0 HG3 LYS A 84 -4.402 -17.396 0.251 1.00 0.96 H new ATOM 0 HD2 LYS A 84 -3.360 -15.161 -0.353 1.00 1.19 H new ATOM 0 HD3 LYS A 84 -4.979 -14.518 -0.547 1.00 1.19 H new ATOM 0 HE2 LYS A 84 -4.165 -14.009 1.700 1.00 1.54 H new ATOM 0 HE3 LYS A 84 -5.512 -15.126 1.804 1.00 1.54 H new ATOM 0 HZ1 LYS A 84 -3.449 -15.608 3.191 1.00 2.27 H new ATOM 0 HZ2 LYS A 84 -4.113 -16.900 2.312 1.00 2.27 H new ATOM 0 HZ3 LYS A 84 -2.721 -16.113 1.743 1.00 2.27 H new ATOM 1456 N ASP A 85 -7.457 -18.390 -2.123 1.00 0.84 N ATOM 1457 CA ASP A 85 -8.768 -18.690 -1.560 1.00 0.91 C ATOM 1458 C ASP A 85 -9.092 -20.180 -1.604 1.00 0.90 C ATOM 1459 O ASP A 85 -10.045 -20.588 -0.941 1.00 0.94 O ATOM 1460 CB ASP A 85 -9.865 -17.895 -2.267 1.00 0.98 C ATOM 1461 CG ASP A 85 -9.996 -16.482 -1.731 1.00 1.59 C ATOM 1462 OD1 ASP A 85 -10.772 -16.276 -0.772 1.00 1.48 O ATOM 1463 OD2 ASP A 85 -9.331 -15.569 -2.269 1.00 2.52 O ATOM 0 H ASP A 85 -7.479 -17.828 -2.974 1.00 0.84 H new ATOM 0 HA ASP A 85 -8.731 -18.391 -0.513 1.00 0.91 H new ATOM 0 HB2 ASP A 85 -9.650 -17.857 -3.335 1.00 0.98 H new ATOM 0 HB3 ASP A 85 -10.817 -18.414 -2.152 1.00 0.98 H new ATOM 1468 N SER A 86 -8.379 -21.020 -2.344 1.00 0.86 N ATOM 1469 CA SER A 86 -8.692 -22.430 -2.143 1.00 0.90 C ATOM 1470 C SER A 86 -7.524 -23.345 -1.762 1.00 0.84 C ATOM 1471 O SER A 86 -7.497 -23.914 -0.669 1.00 0.96 O ATOM 1472 CB SER A 86 -9.356 -22.959 -3.416 1.00 0.97 C ATOM 1473 OG SER A 86 -8.581 -22.635 -4.561 1.00 1.52 O ATOM 0 H SER A 86 -7.653 -20.788 -3.022 1.00 0.86 H new ATOM 0 HA SER A 86 -9.348 -22.459 -1.273 1.00 0.90 H new ATOM 0 HB2 SER A 86 -9.476 -24.040 -3.347 1.00 0.97 H new ATOM 0 HB3 SER A 86 -10.354 -22.533 -3.515 1.00 0.97 H new ATOM 0 HG SER A 86 -8.493 -21.662 -4.631 1.00 1.52 H new ATOM 1479 N GLY A 87 -6.560 -23.468 -2.660 1.00 0.80 N ATOM 1480 CA GLY A 87 -5.573 -24.518 -2.485 1.00 0.88 C ATOM 1481 C GLY A 87 -4.188 -24.031 -2.134 1.00 0.82 C ATOM 1482 O GLY A 87 -3.412 -24.764 -1.524 1.00 0.92 O ATOM 0 H GLY A 87 -6.441 -22.880 -3.485 1.00 0.80 H new ATOM 0 HA2 GLY A 87 -5.916 -25.193 -1.700 1.00 0.88 H new ATOM 0 HA3 GLY A 87 -5.516 -25.101 -3.404 1.00 0.88 H new ATOM 1486 N ALA A 88 -3.864 -22.812 -2.507 1.00 0.76 N ATOM 1487 CA ALA A 88 -2.486 -22.373 -2.423 1.00 0.76 C ATOM 1488 C ALA A 88 -2.152 -21.799 -1.053 1.00 0.80 C ATOM 1489 O ALA A 88 -2.838 -20.910 -0.540 1.00 0.83 O ATOM 1490 CB ALA A 88 -2.197 -21.358 -3.506 1.00 0.76 C ATOM 0 H ALA A 88 -4.520 -22.118 -2.865 1.00 0.76 H new ATOM 0 HA ALA A 88 -1.852 -23.247 -2.570 1.00 0.76 H new ATOM 0 HB1 ALA A 88 -1.159 -21.035 -3.434 1.00 0.76 H new ATOM 0 HB2 ALA A 88 -2.369 -21.809 -4.483 1.00 0.76 H new ATOM 0 HB3 ALA A 88 -2.854 -20.497 -3.383 1.00 0.76 H new ATOM 1496 N SER A 89 -1.098 -22.336 -0.473 1.00 0.81 N ATOM 1497 CA SER A 89 -0.516 -21.780 0.739 1.00 0.86 C ATOM 1498 C SER A 89 0.152 -20.445 0.409 1.00 0.78 C ATOM 1499 O SER A 89 0.394 -20.162 -0.767 1.00 0.77 O ATOM 1500 CB SER A 89 0.500 -22.754 1.340 1.00 0.93 C ATOM 1501 OG SER A 89 1.068 -22.236 2.529 1.00 1.60 O ATOM 0 H SER A 89 -0.620 -23.166 -0.824 1.00 0.81 H new ATOM 0 HA SER A 89 -1.303 -21.617 1.476 1.00 0.86 H new ATOM 0 HB2 SER A 89 0.013 -23.706 1.552 1.00 0.93 H new ATOM 0 HB3 SER A 89 1.289 -22.954 0.615 1.00 0.93 H new ATOM 0 HG SER A 89 1.712 -22.880 2.892 1.00 1.60 H new ATOM 1507 N LYS A 90 0.458 -19.627 1.414 1.00 0.76 N ATOM 1508 CA LYS A 90 1.074 -18.322 1.160 1.00 0.74 C ATOM 1509 C LYS A 90 2.390 -18.477 0.402 1.00 0.69 C ATOM 1510 O LYS A 90 2.822 -17.569 -0.303 1.00 0.67 O ATOM 1511 CB LYS A 90 1.302 -17.538 2.457 1.00 0.81 C ATOM 1512 CG LYS A 90 0.011 -17.134 3.161 1.00 1.29 C ATOM 1513 CD LYS A 90 0.254 -16.110 4.264 1.00 1.77 C ATOM 1514 CE LYS A 90 1.145 -16.658 5.368 1.00 2.22 C ATOM 1515 NZ LYS A 90 1.247 -15.717 6.515 1.00 2.96 N ATOM 0 H LYS A 90 0.294 -19.838 2.398 1.00 0.76 H new ATOM 0 HA LYS A 90 0.377 -17.755 0.543 1.00 0.74 H new ATOM 0 HB2 LYS A 90 1.903 -18.143 3.136 1.00 0.81 H new ATOM 0 HB3 LYS A 90 1.880 -16.641 2.233 1.00 0.81 H new ATOM 0 HG2 LYS A 90 -0.685 -16.721 2.431 1.00 1.29 H new ATOM 0 HG3 LYS A 90 -0.461 -18.019 3.587 1.00 1.29 H new ATOM 0 HD2 LYS A 90 0.714 -15.219 3.836 1.00 1.77 H new ATOM 0 HD3 LYS A 90 -0.701 -15.802 4.689 1.00 1.77 H new ATOM 0 HE2 LYS A 90 0.748 -17.612 5.715 1.00 2.22 H new ATOM 0 HE3 LYS A 90 2.140 -16.853 4.968 1.00 2.22 H new ATOM 0 HZ1 LYS A 90 1.863 -16.127 7.246 1.00 2.96 H new ATOM 0 HZ2 LYS A 90 1.649 -14.815 6.189 1.00 2.96 H new ATOM 0 HZ3 LYS A 90 0.301 -15.551 6.913 1.00 2.96 H new ATOM 1529 N GLU A 91 3.008 -19.645 0.529 1.00 0.71 N ATOM 1530 CA GLU A 91 4.239 -19.932 -0.188 1.00 0.70 C ATOM 1531 C GLU A 91 3.993 -20.027 -1.692 1.00 0.67 C ATOM 1532 O GLU A 91 4.809 -19.584 -2.490 1.00 0.67 O ATOM 1533 CB GLU A 91 4.861 -21.224 0.315 1.00 0.73 C ATOM 1534 CG GLU A 91 5.446 -21.092 1.703 1.00 1.30 C ATOM 1535 CD GLU A 91 6.424 -19.944 1.803 1.00 1.74 C ATOM 1536 OE1 GLU A 91 7.532 -20.051 1.236 1.00 2.34 O ATOM 1537 OE2 GLU A 91 6.089 -18.932 2.448 1.00 2.10 O ATOM 0 H GLU A 91 2.676 -20.406 1.121 1.00 0.71 H new ATOM 0 HA GLU A 91 4.929 -19.109 -0.003 1.00 0.70 H new ATOM 0 HB2 GLU A 91 4.105 -22.009 0.318 1.00 0.73 H new ATOM 0 HB3 GLU A 91 5.644 -21.538 -0.376 1.00 0.73 H new ATOM 0 HG2 GLU A 91 4.641 -20.945 2.422 1.00 1.30 H new ATOM 0 HG3 GLU A 91 5.949 -22.020 1.973 1.00 1.30 H new ATOM 1544 N GLU A 92 2.872 -20.630 -2.061 1.00 0.66 N ATOM 1545 CA GLU A 92 2.497 -20.858 -3.436 1.00 0.65 C ATOM 1546 C GLU A 92 2.110 -19.540 -4.056 1.00 0.60 C ATOM 1547 O GLU A 92 2.284 -19.319 -5.243 1.00 0.57 O ATOM 1548 CB GLU A 92 1.321 -21.807 -3.463 1.00 0.69 C ATOM 1549 CG GLU A 92 1.609 -23.138 -2.815 1.00 0.74 C ATOM 1550 CD GLU A 92 2.441 -24.047 -3.694 1.00 1.06 C ATOM 1551 OE1 GLU A 92 3.683 -23.912 -3.694 1.00 1.45 O ATOM 1552 OE2 GLU A 92 1.856 -24.902 -4.393 1.00 1.10 O ATOM 0 H GLU A 92 2.187 -20.980 -1.392 1.00 0.66 H new ATOM 0 HA GLU A 92 3.326 -21.291 -3.996 1.00 0.65 H new ATOM 0 HB2 GLU A 92 0.476 -21.340 -2.957 1.00 0.69 H new ATOM 0 HB3 GLU A 92 1.021 -21.973 -4.498 1.00 0.69 H new ATOM 0 HG2 GLU A 92 2.131 -22.973 -1.872 1.00 0.74 H new ATOM 0 HG3 GLU A 92 0.668 -23.633 -2.576 1.00 0.74 H new ATOM 1559 N LEU A 93 1.593 -18.668 -3.209 1.00 0.61 N ATOM 1560 CA LEU A 93 1.416 -17.265 -3.558 1.00 0.60 C ATOM 1561 C LEU A 93 2.794 -16.676 -3.756 1.00 0.61 C ATOM 1562 O LEU A 93 3.022 -16.033 -4.770 1.00 0.64 O ATOM 1563 CB LEU A 93 0.662 -16.532 -2.450 1.00 0.64 C ATOM 1564 CG LEU A 93 -0.857 -16.727 -2.433 1.00 0.69 C ATOM 1565 CD1 LEU A 93 -1.509 -15.934 -3.557 1.00 1.08 C ATOM 1566 CD2 LEU A 93 -1.232 -18.196 -2.542 1.00 1.07 C ATOM 0 H LEU A 93 1.285 -18.907 -2.266 1.00 0.61 H new ATOM 0 HA LEU A 93 0.827 -17.163 -4.469 1.00 0.60 H new ATOM 0 HB2 LEU A 93 1.061 -16.857 -1.489 1.00 0.64 H new ATOM 0 HB3 LEU A 93 0.871 -15.466 -2.538 1.00 0.64 H new ATOM 0 HG LEU A 93 -1.226 -16.356 -1.477 1.00 0.69 H new ATOM 0 HD11 LEU A 93 -2.588 -16.084 -3.530 1.00 1.08 H new ATOM 0 HD12 LEU A 93 -1.287 -14.874 -3.431 1.00 1.08 H new ATOM 0 HD13 LEU A 93 -1.119 -16.275 -4.516 1.00 1.08 H new ATOM 0 HD21 LEU A 93 -2.317 -18.297 -2.527 1.00 1.07 H new ATOM 0 HD22 LEU A 93 -0.843 -18.603 -3.476 1.00 1.07 H new ATOM 0 HD23 LEU A 93 -0.805 -18.744 -1.702 1.00 1.07 H new ATOM 1578 N LYS A 94 3.728 -16.901 -2.854 1.00 0.61 N ATOM 1579 CA LYS A 94 5.045 -16.300 -2.983 1.00 0.61 C ATOM 1580 C LYS A 94 5.721 -16.785 -4.255 1.00 0.66 C ATOM 1581 O LYS A 94 6.308 -15.999 -4.998 1.00 0.72 O ATOM 1582 CB LYS A 94 5.914 -16.631 -1.768 1.00 0.64 C ATOM 1583 CG LYS A 94 7.321 -16.064 -1.858 1.00 0.69 C ATOM 1584 CD LYS A 94 8.171 -16.482 -0.671 1.00 1.16 C ATOM 1585 CE LYS A 94 9.582 -15.926 -0.771 1.00 1.38 C ATOM 1586 NZ LYS A 94 10.308 -16.436 -1.967 1.00 2.06 N ATOM 0 H LYS A 94 3.604 -17.490 -2.030 1.00 0.61 H new ATOM 0 HA LYS A 94 4.923 -15.218 -3.035 1.00 0.61 H new ATOM 0 HB2 LYS A 94 5.432 -16.245 -0.870 1.00 0.64 H new ATOM 0 HB3 LYS A 94 5.973 -17.714 -1.657 1.00 0.64 H new ATOM 0 HG2 LYS A 94 7.792 -16.403 -2.781 1.00 0.69 H new ATOM 0 HG3 LYS A 94 7.273 -14.976 -1.906 1.00 0.69 H new ATOM 0 HD2 LYS A 94 7.706 -16.133 0.251 1.00 1.16 H new ATOM 0 HD3 LYS A 94 8.211 -17.570 -0.616 1.00 1.16 H new ATOM 0 HE2 LYS A 94 9.539 -14.838 -0.812 1.00 1.38 H new ATOM 0 HE3 LYS A 94 10.138 -16.190 0.129 1.00 1.38 H new ATOM 0 HZ1 LYS A 94 11.296 -16.111 -1.938 1.00 2.06 H new ATOM 0 HZ2 LYS A 94 10.285 -17.476 -1.970 1.00 2.06 H new ATOM 0 HZ3 LYS A 94 9.851 -16.078 -2.830 1.00 2.06 H new ATOM 1600 N ALA A 95 5.590 -18.074 -4.525 1.00 0.67 N ATOM 1601 CA ALA A 95 6.297 -18.680 -5.630 1.00 0.73 C ATOM 1602 C ALA A 95 5.546 -18.542 -6.946 1.00 0.73 C ATOM 1603 O ALA A 95 6.101 -18.709 -8.033 1.00 0.93 O ATOM 1604 CB ALA A 95 6.614 -20.131 -5.342 1.00 0.77 C ATOM 0 H ALA A 95 5.001 -18.715 -3.993 1.00 0.67 H new ATOM 0 HA ALA A 95 7.235 -18.135 -5.739 1.00 0.73 H new ATOM 0 HB1 ALA A 95 7.146 -20.562 -6.190 1.00 0.77 H new ATOM 0 HB2 ALA A 95 7.238 -20.197 -4.451 1.00 0.77 H new ATOM 0 HB3 ALA A 95 5.687 -20.680 -5.178 1.00 0.77 H new ATOM 1610 N LYS A 96 4.262 -18.212 -6.809 1.00 0.70 N ATOM 1611 CA LYS A 96 3.491 -17.784 -7.974 1.00 0.76 C ATOM 1612 C LYS A 96 3.835 -16.349 -8.340 1.00 0.58 C ATOM 1613 O LYS A 96 4.163 -16.040 -9.472 1.00 0.55 O ATOM 1614 CB LYS A 96 1.988 -17.920 -7.735 1.00 1.02 C ATOM 1615 CG LYS A 96 1.151 -17.851 -9.005 1.00 1.75 C ATOM 1616 CD LYS A 96 1.371 -19.069 -9.888 1.00 2.07 C ATOM 1617 CE LYS A 96 0.421 -19.079 -11.074 1.00 2.92 C ATOM 1618 NZ LYS A 96 0.606 -20.291 -11.918 1.00 3.11 N ATOM 0 H LYS A 96 3.746 -18.231 -5.929 1.00 0.70 H new ATOM 0 HA LYS A 96 3.758 -18.438 -8.804 1.00 0.76 H new ATOM 0 HB2 LYS A 96 1.794 -18.869 -7.235 1.00 1.02 H new ATOM 0 HB3 LYS A 96 1.665 -17.131 -7.056 1.00 1.02 H new ATOM 0 HG2 LYS A 96 0.096 -17.777 -8.742 1.00 1.75 H new ATOM 0 HG3 LYS A 96 1.405 -16.948 -9.560 1.00 1.75 H new ATOM 0 HD2 LYS A 96 2.401 -19.079 -10.246 1.00 2.07 H new ATOM 0 HD3 LYS A 96 1.229 -19.976 -9.300 1.00 2.07 H new ATOM 0 HE2 LYS A 96 -0.608 -19.038 -10.716 1.00 2.92 H new ATOM 0 HE3 LYS A 96 0.584 -18.187 -11.678 1.00 2.92 H new ATOM 0 HZ1 LYS A 96 -0.059 -20.262 -12.717 1.00 3.11 H new ATOM 0 HZ2 LYS A 96 1.581 -20.317 -12.280 1.00 3.11 H new ATOM 0 HZ3 LYS A 96 0.426 -21.142 -11.348 1.00 3.11 H new ATOM 1632 N VAL A 97 3.708 -15.471 -7.353 1.00 0.62 N ATOM 1633 CA VAL A 97 3.975 -14.057 -7.529 1.00 0.57 C ATOM 1634 C VAL A 97 5.345 -13.828 -8.157 1.00 0.54 C ATOM 1635 O VAL A 97 5.504 -12.957 -9.001 1.00 0.59 O ATOM 1636 CB VAL A 97 3.862 -13.309 -6.190 1.00 0.60 C ATOM 1637 CG1 VAL A 97 4.327 -11.874 -6.322 1.00 0.97 C ATOM 1638 CG2 VAL A 97 2.429 -13.356 -5.704 1.00 0.93 C ATOM 0 H VAL A 97 3.417 -15.724 -6.409 1.00 0.62 H new ATOM 0 HA VAL A 97 3.222 -13.659 -8.210 1.00 0.57 H new ATOM 0 HB VAL A 97 4.508 -13.800 -5.463 1.00 0.60 H new ATOM 0 HG11 VAL A 97 4.235 -11.372 -5.359 1.00 0.97 H new ATOM 0 HG12 VAL A 97 5.369 -11.857 -6.642 1.00 0.97 H new ATOM 0 HG13 VAL A 97 3.712 -11.359 -7.060 1.00 0.97 H new ATOM 0 HG21 VAL A 97 2.349 -12.826 -4.755 1.00 0.93 H new ATOM 0 HG22 VAL A 97 1.779 -12.882 -6.440 1.00 0.93 H new ATOM 0 HG23 VAL A 97 2.125 -14.394 -5.567 1.00 0.93 H new ATOM 1648 N GLU A 98 6.324 -14.632 -7.768 1.00 0.53 N ATOM 1649 CA GLU A 98 7.643 -14.547 -8.378 1.00 0.57 C ATOM 1650 C GLU A 98 7.585 -14.904 -9.865 1.00 0.52 C ATOM 1651 O GLU A 98 8.120 -14.176 -10.698 1.00 0.53 O ATOM 1652 CB GLU A 98 8.636 -15.448 -7.644 1.00 0.68 C ATOM 1653 CG GLU A 98 8.994 -14.938 -6.255 1.00 0.81 C ATOM 1654 CD GLU A 98 9.974 -15.837 -5.533 1.00 1.31 C ATOM 1655 OE1 GLU A 98 11.138 -15.930 -5.977 1.00 1.65 O ATOM 1656 OE2 GLU A 98 9.586 -16.461 -4.522 1.00 2.03 O ATOM 0 H GLU A 98 6.233 -15.342 -7.042 1.00 0.53 H new ATOM 0 HA GLU A 98 7.987 -13.516 -8.293 1.00 0.57 H new ATOM 0 HB2 GLU A 98 8.214 -16.449 -7.559 1.00 0.68 H new ATOM 0 HB3 GLU A 98 9.546 -15.535 -8.238 1.00 0.68 H new ATOM 0 HG2 GLU A 98 9.420 -13.938 -6.339 1.00 0.81 H new ATOM 0 HG3 GLU A 98 8.085 -14.848 -5.661 1.00 0.81 H new ATOM 1663 N GLU A 99 6.917 -16.008 -10.199 1.00 0.49 N ATOM 1664 CA GLU A 99 6.809 -16.444 -11.589 1.00 0.49 C ATOM 1665 C GLU A 99 5.980 -15.449 -12.393 1.00 0.48 C ATOM 1666 O GLU A 99 6.277 -15.166 -13.554 1.00 0.51 O ATOM 1667 CB GLU A 99 6.222 -17.862 -11.663 1.00 0.52 C ATOM 1668 CG GLU A 99 4.727 -17.940 -11.467 1.00 0.91 C ATOM 1669 CD GLU A 99 3.932 -17.943 -12.756 1.00 1.68 C ATOM 1670 OE1 GLU A 99 4.079 -18.895 -13.545 1.00 1.82 O ATOM 1671 OE2 GLU A 99 3.189 -16.970 -13.005 1.00 2.48 O ATOM 0 H GLU A 99 6.445 -16.614 -9.528 1.00 0.49 H new ATOM 0 HA GLU A 99 7.806 -16.477 -12.029 1.00 0.49 H new ATOM 0 HB2 GLU A 99 6.470 -18.292 -12.633 1.00 0.52 H new ATOM 0 HB3 GLU A 99 6.706 -18.480 -10.907 1.00 0.52 H new ATOM 0 HG2 GLU A 99 4.492 -18.845 -10.906 1.00 0.91 H new ATOM 0 HG3 GLU A 99 4.407 -17.095 -10.858 1.00 0.91 H new ATOM 1678 N ALA A 100 4.965 -14.901 -11.750 1.00 0.49 N ATOM 1679 CA ALA A 100 4.073 -13.945 -12.383 1.00 0.55 C ATOM 1680 C ALA A 100 4.760 -12.596 -12.597 1.00 0.54 C ATOM 1681 O ALA A 100 4.777 -12.068 -13.708 1.00 0.58 O ATOM 1682 CB ALA A 100 2.823 -13.794 -11.533 1.00 0.63 C ATOM 0 H ALA A 100 4.736 -15.105 -10.777 1.00 0.49 H new ATOM 0 HA ALA A 100 3.796 -14.318 -13.369 1.00 0.55 H new ATOM 0 HB1 ALA A 100 2.148 -13.078 -12.002 1.00 0.63 H new ATOM 0 HB2 ALA A 100 2.324 -14.759 -11.445 1.00 0.63 H new ATOM 0 HB3 ALA A 100 3.099 -13.437 -10.541 1.00 0.63 H new ATOM 1688 N LEU A 101 5.330 -12.051 -11.531 1.00 0.51 N ATOM 1689 CA LEU A 101 6.013 -10.762 -11.578 1.00 0.53 C ATOM 1690 C LEU A 101 7.317 -10.834 -12.369 1.00 0.51 C ATOM 1691 O LEU A 101 7.939 -9.808 -12.650 1.00 0.53 O ATOM 1692 CB LEU A 101 6.293 -10.265 -10.158 1.00 0.53 C ATOM 1693 CG LEU A 101 5.117 -9.589 -9.428 1.00 0.66 C ATOM 1694 CD1 LEU A 101 4.953 -8.154 -9.898 1.00 1.40 C ATOM 1695 CD2 LEU A 101 3.811 -10.346 -9.626 1.00 1.28 C ATOM 0 H LEU A 101 5.333 -12.488 -10.609 1.00 0.51 H new ATOM 0 HA LEU A 101 5.354 -10.061 -12.090 1.00 0.53 H new ATOM 0 HB2 LEU A 101 6.627 -11.112 -9.558 1.00 0.53 H new ATOM 0 HB3 LEU A 101 7.122 -9.558 -10.200 1.00 0.53 H new ATOM 0 HG LEU A 101 5.353 -9.599 -8.364 1.00 0.66 H new ATOM 0 HD11 LEU A 101 4.118 -7.692 -9.372 1.00 1.40 H new ATOM 0 HD12 LEU A 101 5.866 -7.596 -9.690 1.00 1.40 H new ATOM 0 HD13 LEU A 101 4.757 -8.142 -10.970 1.00 1.40 H new ATOM 0 HD21 LEU A 101 3.009 -9.834 -9.094 1.00 1.28 H new ATOM 0 HD22 LEU A 101 3.572 -10.388 -10.689 1.00 1.28 H new ATOM 0 HD23 LEU A 101 3.915 -11.359 -9.237 1.00 1.28 H new ATOM 1707 N HIS A 102 7.753 -12.036 -12.710 1.00 0.51 N ATOM 1708 CA HIS A 102 8.880 -12.179 -13.619 1.00 0.53 C ATOM 1709 C HIS A 102 8.368 -12.171 -15.053 1.00 0.56 C ATOM 1710 O HIS A 102 8.914 -11.470 -15.902 1.00 0.57 O ATOM 1711 CB HIS A 102 9.686 -13.444 -13.327 1.00 0.55 C ATOM 1712 CG HIS A 102 10.775 -13.258 -12.316 1.00 1.07 C ATOM 1713 ND1 HIS A 102 12.060 -13.724 -12.505 1.00 1.95 N ATOM 1714 CD2 HIS A 102 10.768 -12.671 -11.096 1.00 1.39 C ATOM 1715 CE1 HIS A 102 12.791 -13.433 -11.448 1.00 2.48 C ATOM 1716 NE2 HIS A 102 12.034 -12.794 -10.581 1.00 2.14 N ATOM 0 H HIS A 102 7.352 -12.913 -12.378 1.00 0.51 H new ATOM 0 HA HIS A 102 9.558 -11.338 -13.473 1.00 0.53 H new ATOM 0 HB2 HIS A 102 9.007 -14.221 -12.975 1.00 0.55 H new ATOM 0 HB3 HIS A 102 10.126 -13.804 -14.257 1.00 0.55 H new ATOM 0 HD2 HIS A 102 9.924 -12.195 -10.618 1.00 1.39 H new ATOM 0 HE1 HIS A 102 13.835 -13.677 -11.315 1.00 2.48 H new ATOM 0 HE2 HIS A 102 12.340 -12.446 -9.672 1.00 2.14 H new ATOM 1725 N ALA A 103 7.336 -12.971 -15.321 1.00 0.58 N ATOM 1726 CA ALA A 103 6.838 -13.190 -16.681 1.00 0.61 C ATOM 1727 C ALA A 103 6.242 -11.925 -17.322 1.00 0.61 C ATOM 1728 O ALA A 103 5.735 -11.977 -18.445 1.00 0.64 O ATOM 1729 CB ALA A 103 5.814 -14.315 -16.674 1.00 0.63 C ATOM 0 H ALA A 103 6.822 -13.484 -14.605 1.00 0.58 H new ATOM 0 HA ALA A 103 7.695 -13.466 -17.295 1.00 0.61 H new ATOM 0 HB1 ALA A 103 5.444 -14.477 -17.687 1.00 0.63 H new ATOM 0 HB2 ALA A 103 6.281 -15.229 -16.308 1.00 0.63 H new ATOM 0 HB3 ALA A 103 4.982 -14.046 -16.023 1.00 0.63 H new ATOM 1735 N VAL A 104 6.279 -10.809 -16.612 1.00 0.60 N ATOM 1736 CA VAL A 104 5.863 -9.543 -17.146 1.00 0.63 C ATOM 1737 C VAL A 104 7.072 -8.761 -17.665 1.00 0.76 C ATOM 1738 O VAL A 104 8.169 -8.850 -17.108 1.00 1.68 O ATOM 1739 CB VAL A 104 5.109 -8.753 -16.071 1.00 0.57 C ATOM 1740 CG1 VAL A 104 5.847 -8.819 -14.763 1.00 0.60 C ATOM 1741 CG2 VAL A 104 4.887 -7.310 -16.479 1.00 0.51 C ATOM 0 H VAL A 104 6.602 -10.766 -15.645 1.00 0.60 H new ATOM 0 HA VAL A 104 5.190 -9.709 -17.987 1.00 0.63 H new ATOM 0 HB VAL A 104 4.128 -9.213 -15.953 1.00 0.57 H new ATOM 0 HG11 VAL A 104 5.301 -8.254 -14.008 1.00 0.60 H new ATOM 0 HG12 VAL A 104 5.934 -9.858 -14.446 1.00 0.60 H new ATOM 0 HG13 VAL A 104 6.843 -8.393 -14.885 1.00 0.60 H new ATOM 0 HG21 VAL A 104 4.349 -6.787 -15.688 1.00 0.51 H new ATOM 0 HG22 VAL A 104 5.850 -6.826 -16.644 1.00 0.51 H new ATOM 0 HG23 VAL A 104 4.302 -7.278 -17.398 1.00 0.51 H new ATOM 1751 N THR A 105 6.852 -7.984 -18.714 1.00 0.77 N ATOM 1752 CA THR A 105 7.966 -7.291 -19.359 1.00 0.79 C ATOM 1753 C THR A 105 7.575 -5.927 -19.930 1.00 0.75 C ATOM 1754 O THR A 105 8.349 -5.327 -20.677 1.00 0.95 O ATOM 1755 CB THR A 105 8.555 -8.147 -20.504 1.00 0.94 C ATOM 1756 OG1 THR A 105 7.498 -8.632 -21.346 1.00 0.88 O ATOM 1757 CG2 THR A 105 9.362 -9.325 -19.973 1.00 1.03 C ATOM 0 H THR A 105 5.937 -7.817 -19.132 1.00 0.77 H new ATOM 0 HA THR A 105 8.707 -7.133 -18.576 1.00 0.79 H new ATOM 0 HB THR A 105 9.227 -7.510 -21.079 1.00 0.94 H new ATOM 0 HG1 THR A 105 7.878 -9.172 -22.070 1.00 0.88 H new ATOM 0 HG21 THR A 105 9.758 -9.901 -20.809 1.00 1.03 H new ATOM 0 HG22 THR A 105 10.187 -8.956 -19.363 1.00 1.03 H new ATOM 0 HG23 THR A 105 8.719 -9.962 -19.366 1.00 1.03 H new ATOM 1765 N ASP A 106 6.402 -5.422 -19.589 1.00 0.77 N ATOM 1766 CA ASP A 106 6.043 -4.062 -19.976 1.00 0.79 C ATOM 1767 C ASP A 106 6.588 -3.049 -18.981 1.00 0.73 C ATOM 1768 O ASP A 106 6.423 -3.197 -17.773 1.00 0.72 O ATOM 1769 CB ASP A 106 4.529 -3.886 -20.056 1.00 0.79 C ATOM 1770 CG ASP A 106 4.140 -2.469 -20.441 1.00 1.35 C ATOM 1771 OD1 ASP A 106 4.277 -2.107 -21.629 1.00 1.38 O ATOM 1772 OD2 ASP A 106 3.711 -1.700 -19.552 1.00 2.07 O ATOM 0 H ASP A 106 5.690 -5.920 -19.054 1.00 0.77 H new ATOM 0 HA ASP A 106 6.482 -3.891 -20.959 1.00 0.79 H new ATOM 0 HB2 ASP A 106 4.121 -4.585 -20.786 1.00 0.79 H new ATOM 0 HB3 ASP A 106 4.084 -4.135 -19.093 1.00 0.79 H new ATOM 1777 N GLU A 107 7.262 -2.039 -19.521 1.00 0.71 N ATOM 1778 CA GLU A 107 8.086 -1.113 -18.742 1.00 0.69 C ATOM 1779 C GLU A 107 7.351 -0.523 -17.543 1.00 0.66 C ATOM 1780 O GLU A 107 7.829 -0.599 -16.410 1.00 0.63 O ATOM 1781 CB GLU A 107 8.587 0.032 -19.629 1.00 0.73 C ATOM 1782 CG GLU A 107 9.630 -0.370 -20.665 1.00 1.63 C ATOM 1783 CD GLU A 107 9.115 -1.378 -21.667 1.00 2.35 C ATOM 1784 OE1 GLU A 107 8.007 -1.173 -22.202 1.00 3.18 O ATOM 1785 OE2 GLU A 107 9.829 -2.365 -21.948 1.00 2.65 O ATOM 0 H GLU A 107 7.254 -1.836 -20.521 1.00 0.71 H new ATOM 0 HA GLU A 107 8.924 -1.698 -18.363 1.00 0.69 H new ATOM 0 HB2 GLU A 107 7.734 0.473 -20.145 1.00 0.73 H new ATOM 0 HB3 GLU A 107 9.010 0.808 -18.991 1.00 0.73 H new ATOM 0 HG2 GLU A 107 9.968 0.520 -21.196 1.00 1.63 H new ATOM 0 HG3 GLU A 107 10.499 -0.786 -20.154 1.00 1.63 H new ATOM 1792 N GLU A 108 6.193 0.067 -17.816 1.00 0.67 N ATOM 1793 CA GLU A 108 5.366 0.667 -16.780 1.00 0.66 C ATOM 1794 C GLU A 108 4.990 -0.362 -15.718 1.00 0.58 C ATOM 1795 O GLU A 108 5.034 -0.078 -14.522 1.00 0.54 O ATOM 1796 CB GLU A 108 4.102 1.272 -17.394 1.00 0.76 C ATOM 1797 CG GLU A 108 3.124 1.803 -16.362 1.00 1.46 C ATOM 1798 CD GLU A 108 1.892 2.415 -16.986 1.00 2.09 C ATOM 1799 OE1 GLU A 108 1.235 1.737 -17.807 1.00 2.78 O ATOM 1800 OE2 GLU A 108 1.572 3.575 -16.667 1.00 2.40 O ATOM 0 H GLU A 108 5.804 0.142 -18.756 1.00 0.67 H new ATOM 0 HA GLU A 108 5.943 1.459 -16.302 1.00 0.66 H new ATOM 0 HB2 GLU A 108 4.386 2.082 -18.065 1.00 0.76 H new ATOM 0 HB3 GLU A 108 3.604 0.515 -18.000 1.00 0.76 H new ATOM 0 HG2 GLU A 108 2.825 0.991 -15.699 1.00 1.46 H new ATOM 0 HG3 GLU A 108 3.623 2.550 -15.745 1.00 1.46 H new ATOM 1807 N LYS A 109 4.608 -1.554 -16.156 1.00 0.59 N ATOM 1808 CA LYS A 109 4.267 -2.632 -15.245 1.00 0.55 C ATOM 1809 C LYS A 109 5.455 -2.960 -14.334 1.00 0.51 C ATOM 1810 O LYS A 109 5.307 -3.093 -13.117 1.00 0.48 O ATOM 1811 CB LYS A 109 3.847 -3.865 -16.050 1.00 0.58 C ATOM 1812 CG LYS A 109 2.630 -3.637 -16.928 1.00 0.65 C ATOM 1813 CD LYS A 109 2.200 -4.917 -17.626 1.00 1.22 C ATOM 1814 CE LYS A 109 1.065 -4.669 -18.603 1.00 1.11 C ATOM 1815 NZ LYS A 109 0.619 -5.925 -19.262 1.00 1.81 N ATOM 0 H LYS A 109 4.527 -1.797 -17.143 1.00 0.59 H new ATOM 0 HA LYS A 109 3.435 -2.319 -14.614 1.00 0.55 H new ATOM 0 HB2 LYS A 109 4.682 -4.180 -16.676 1.00 0.58 H new ATOM 0 HB3 LYS A 109 3.638 -4.684 -15.361 1.00 0.58 H new ATOM 0 HG2 LYS A 109 1.808 -3.258 -16.321 1.00 0.65 H new ATOM 0 HG3 LYS A 109 2.855 -2.873 -17.672 1.00 0.65 H new ATOM 0 HD2 LYS A 109 3.050 -5.345 -18.157 1.00 1.22 H new ATOM 0 HD3 LYS A 109 1.887 -5.650 -16.882 1.00 1.22 H new ATOM 0 HE2 LYS A 109 0.225 -4.217 -18.077 1.00 1.11 H new ATOM 0 HE3 LYS A 109 1.388 -3.955 -19.361 1.00 1.11 H new ATOM 0 HZ1 LYS A 109 -0.157 -5.714 -19.922 1.00 1.81 H new ATOM 0 HZ2 LYS A 109 1.414 -6.344 -19.785 1.00 1.81 H new ATOM 0 HZ3 LYS A 109 0.287 -6.597 -18.541 1.00 1.81 H new ATOM 1829 N LYS A 110 6.637 -3.044 -14.928 1.00 0.53 N ATOM 1830 CA LYS A 110 7.854 -3.391 -14.194 1.00 0.53 C ATOM 1831 C LYS A 110 8.309 -2.271 -13.261 1.00 0.51 C ATOM 1832 O LYS A 110 9.108 -2.472 -12.347 1.00 0.51 O ATOM 1833 CB LYS A 110 8.989 -3.688 -15.175 1.00 0.56 C ATOM 1834 CG LYS A 110 8.685 -4.786 -16.175 1.00 0.62 C ATOM 1835 CD LYS A 110 9.681 -4.764 -17.325 1.00 0.80 C ATOM 1836 CE LYS A 110 11.105 -4.984 -16.845 1.00 0.81 C ATOM 1837 NZ LYS A 110 12.086 -4.883 -17.957 1.00 1.14 N ATOM 0 H LYS A 110 6.783 -2.876 -15.923 1.00 0.53 H new ATOM 0 HA LYS A 110 7.619 -4.269 -13.592 1.00 0.53 H new ATOM 0 HB2 LYS A 110 9.230 -2.775 -15.719 1.00 0.56 H new ATOM 0 HB3 LYS A 110 9.878 -3.966 -14.609 1.00 0.56 H new ATOM 0 HG2 LYS A 110 8.719 -5.756 -15.678 1.00 0.62 H new ATOM 0 HG3 LYS A 110 7.674 -4.661 -16.562 1.00 0.62 H new ATOM 0 HD2 LYS A 110 9.418 -5.536 -18.048 1.00 0.80 H new ATOM 0 HD3 LYS A 110 9.616 -3.807 -17.843 1.00 0.80 H new ATOM 0 HE2 LYS A 110 11.348 -4.248 -16.079 1.00 0.81 H new ATOM 0 HE3 LYS A 110 11.184 -5.966 -16.379 1.00 0.81 H new ATOM 0 HZ1 LYS A 110 13.046 -5.039 -17.588 1.00 1.14 H new ATOM 0 HZ2 LYS A 110 11.870 -5.602 -18.677 1.00 1.14 H new ATOM 0 HZ3 LYS A 110 12.029 -3.937 -18.385 1.00 1.14 H new ATOM 1851 N GLN A 111 7.748 -1.097 -13.504 1.00 0.51 N ATOM 1852 CA GLN A 111 7.923 0.024 -12.587 1.00 0.51 C ATOM 1853 C GLN A 111 7.232 -0.276 -11.259 1.00 0.50 C ATOM 1854 O GLN A 111 7.763 0.010 -10.189 1.00 0.51 O ATOM 1855 CB GLN A 111 7.364 1.314 -13.196 1.00 0.52 C ATOM 1856 CG GLN A 111 7.826 2.585 -12.498 1.00 1.08 C ATOM 1857 CD GLN A 111 9.335 2.717 -12.478 1.00 1.23 C ATOM 1858 OE1 GLN A 111 9.938 3.226 -13.424 1.00 1.69 O ATOM 1859 NE2 GLN A 111 9.953 2.296 -11.387 1.00 1.61 N ATOM 0 H GLN A 111 7.172 -0.894 -14.321 1.00 0.51 H new ATOM 0 HA GLN A 111 8.989 0.164 -12.409 1.00 0.51 H new ATOM 0 HB2 GLN A 111 7.655 1.363 -14.245 1.00 0.52 H new ATOM 0 HB3 GLN A 111 6.275 1.273 -13.169 1.00 0.52 H new ATOM 0 HG2 GLN A 111 7.395 3.450 -13.002 1.00 1.08 H new ATOM 0 HG3 GLN A 111 7.450 2.592 -11.475 1.00 1.08 H new ATOM 0 HE21 GLN A 111 9.417 1.880 -10.626 1.00 1.61 H new ATOM 0 HE22 GLN A 111 10.966 2.387 -11.307 1.00 1.61 H new ATOM 1868 N TYR A 112 6.060 -0.902 -11.345 1.00 0.50 N ATOM 1869 CA TYR A 112 5.305 -1.301 -10.158 1.00 0.49 C ATOM 1870 C TYR A 112 5.992 -2.469 -9.484 1.00 0.49 C ATOM 1871 O TYR A 112 5.923 -2.618 -8.271 1.00 0.50 O ATOM 1872 CB TYR A 112 3.870 -1.674 -10.522 1.00 0.49 C ATOM 1873 CG TYR A 112 3.090 -0.529 -11.120 1.00 0.57 C ATOM 1874 CD1 TYR A 112 3.076 0.718 -10.506 1.00 0.70 C ATOM 1875 CD2 TYR A 112 2.386 -0.685 -12.305 1.00 0.66 C ATOM 1876 CE1 TYR A 112 2.377 1.775 -11.052 1.00 0.82 C ATOM 1877 CE2 TYR A 112 1.687 0.371 -12.859 1.00 0.75 C ATOM 1878 CZ TYR A 112 1.685 1.596 -12.230 1.00 0.80 C ATOM 1879 OH TYR A 112 0.996 2.649 -12.784 1.00 0.92 O ATOM 0 H TYR A 112 5.611 -1.145 -12.228 1.00 0.50 H new ATOM 0 HA TYR A 112 5.271 -0.456 -9.470 1.00 0.49 H new ATOM 0 HB2 TYR A 112 3.886 -2.503 -11.230 1.00 0.49 H new ATOM 0 HB3 TYR A 112 3.356 -2.027 -9.628 1.00 0.49 H new ATOM 0 HD1 TYR A 112 3.622 0.862 -9.585 1.00 0.70 H new ATOM 0 HD2 TYR A 112 2.384 -1.644 -12.801 1.00 0.66 H new ATOM 0 HE1 TYR A 112 2.372 2.736 -10.559 1.00 0.82 H new ATOM 0 HE2 TYR A 112 1.144 0.236 -13.783 1.00 0.75 H new ATOM 0 HH TYR A 112 0.563 2.357 -13.613 1.00 0.92 H new ATOM 1889 N ILE A 113 6.660 -3.292 -10.272 1.00 0.49 N ATOM 1890 CA ILE A 113 7.419 -4.409 -9.729 1.00 0.51 C ATOM 1891 C ILE A 113 8.547 -3.910 -8.820 1.00 0.53 C ATOM 1892 O ILE A 113 8.687 -4.350 -7.679 1.00 0.54 O ATOM 1893 CB ILE A 113 8.028 -5.266 -10.843 1.00 0.57 C ATOM 1894 CG1 ILE A 113 6.930 -5.752 -11.778 1.00 0.63 C ATOM 1895 CG2 ILE A 113 8.795 -6.446 -10.255 1.00 0.59 C ATOM 1896 CD1 ILE A 113 7.447 -6.620 -12.890 1.00 0.72 C ATOM 0 H ILE A 113 6.694 -3.210 -11.288 1.00 0.49 H new ATOM 0 HA ILE A 113 6.722 -5.016 -9.152 1.00 0.51 H new ATOM 0 HB ILE A 113 8.731 -4.657 -11.412 1.00 0.57 H new ATOM 0 HG12 ILE A 113 6.191 -6.310 -11.203 1.00 0.63 H new ATOM 0 HG13 ILE A 113 6.417 -4.891 -12.206 1.00 0.63 H new ATOM 0 HG21 ILE A 113 9.220 -7.042 -11.062 1.00 0.59 H new ATOM 0 HG22 ILE A 113 9.597 -6.077 -9.616 1.00 0.59 H new ATOM 0 HG23 ILE A 113 8.117 -7.063 -9.666 1.00 0.59 H new ATOM 0 HD11 ILE A 113 6.617 -6.935 -13.522 1.00 0.72 H new ATOM 0 HD12 ILE A 113 8.165 -6.057 -13.487 1.00 0.72 H new ATOM 0 HD13 ILE A 113 7.935 -7.499 -12.469 1.00 0.72 H new ATOM 1908 N ALA A 114 9.346 -2.981 -9.345 1.00 0.56 N ATOM 1909 CA ALA A 114 10.478 -2.405 -8.614 1.00 0.59 C ATOM 1910 C ALA A 114 10.005 -1.530 -7.456 1.00 0.59 C ATOM 1911 O ALA A 114 10.555 -1.586 -6.355 1.00 0.60 O ATOM 1912 CB ALA A 114 11.333 -1.590 -9.573 1.00 0.63 C ATOM 0 H ALA A 114 9.228 -2.606 -10.286 1.00 0.56 H new ATOM 0 HA ALA A 114 11.069 -3.218 -8.193 1.00 0.59 H new ATOM 0 HB1 ALA A 114 12.176 -1.160 -9.033 1.00 0.63 H new ATOM 0 HB2 ALA A 114 11.703 -2.236 -10.369 1.00 0.63 H new ATOM 0 HB3 ALA A 114 10.733 -0.790 -10.005 1.00 0.63 H new ATOM 1918 N ASP A 115 8.994 -0.733 -7.712 1.00 0.61 N ATOM 1919 CA ASP A 115 8.547 0.231 -6.715 1.00 0.66 C ATOM 1920 C ASP A 115 7.647 -0.407 -5.683 1.00 0.60 C ATOM 1921 O ASP A 115 7.911 -0.358 -4.484 1.00 0.59 O ATOM 1922 CB ASP A 115 7.831 1.414 -7.369 1.00 0.77 C ATOM 1923 CG ASP A 115 8.790 2.329 -8.099 1.00 1.03 C ATOM 1924 OD1 ASP A 115 9.980 2.375 -7.728 1.00 1.20 O ATOM 1925 OD2 ASP A 115 8.351 3.014 -9.047 1.00 1.73 O ATOM 0 H ASP A 115 8.468 -0.726 -8.586 1.00 0.61 H new ATOM 0 HA ASP A 115 9.440 0.597 -6.209 1.00 0.66 H new ATOM 0 HB2 ASP A 115 7.083 1.042 -8.069 1.00 0.77 H new ATOM 0 HB3 ASP A 115 7.299 1.982 -6.606 1.00 0.77 H new ATOM 1930 N PHE A 116 6.609 -1.032 -6.167 1.00 0.60 N ATOM 1931 CA PHE A 116 5.552 -1.489 -5.298 1.00 0.60 C ATOM 1932 C PHE A 116 5.686 -2.978 -4.956 1.00 0.56 C ATOM 1933 O PHE A 116 5.203 -3.420 -3.913 1.00 0.55 O ATOM 1934 CB PHE A 116 4.213 -1.144 -5.943 1.00 0.68 C ATOM 1935 CG PHE A 116 3.029 -1.648 -5.201 1.00 0.53 C ATOM 1936 CD1 PHE A 116 2.662 -1.050 -4.017 1.00 1.11 C ATOM 1937 CD2 PHE A 116 2.292 -2.714 -5.680 1.00 1.01 C ATOM 1938 CE1 PHE A 116 1.567 -1.504 -3.316 1.00 1.62 C ATOM 1939 CE2 PHE A 116 1.197 -3.177 -4.987 1.00 1.29 C ATOM 1940 CZ PHE A 116 0.822 -2.599 -3.839 1.00 1.52 C ATOM 0 H PHE A 116 6.470 -1.238 -7.156 1.00 0.60 H new ATOM 0 HA PHE A 116 5.621 -0.977 -4.338 1.00 0.60 H new ATOM 0 HB2 PHE A 116 4.136 -0.061 -6.035 1.00 0.68 H new ATOM 0 HB3 PHE A 116 4.194 -1.552 -6.954 1.00 0.68 H new ATOM 0 HD1 PHE A 116 3.237 -0.219 -3.635 1.00 1.11 H new ATOM 0 HD2 PHE A 116 2.578 -3.188 -6.607 1.00 1.01 H new ATOM 0 HE1 PHE A 116 1.278 -1.038 -2.386 1.00 1.62 H new ATOM 0 HE2 PHE A 116 0.635 -4.015 -5.373 1.00 1.29 H new ATOM 0 HZ PHE A 116 -0.046 -2.963 -3.309 1.00 1.52 H new ATOM 1950 N GLY A 117 6.353 -3.737 -5.823 1.00 0.55 N ATOM 1951 CA GLY A 117 6.444 -5.186 -5.669 1.00 0.56 C ATOM 1952 C GLY A 117 6.868 -5.662 -4.282 1.00 0.54 C ATOM 1953 O GLY A 117 6.096 -6.344 -3.604 1.00 0.55 O ATOM 0 H GLY A 117 6.839 -3.371 -6.641 1.00 0.55 H new ATOM 0 HA2 GLY A 117 5.474 -5.623 -5.906 1.00 0.56 H new ATOM 0 HA3 GLY A 117 7.154 -5.570 -6.401 1.00 0.56 H new ATOM 1957 N PRO A 118 8.088 -5.332 -3.821 1.00 0.52 N ATOM 1958 CA PRO A 118 8.597 -5.827 -2.535 1.00 0.53 C ATOM 1959 C PRO A 118 7.749 -5.359 -1.356 1.00 0.46 C ATOM 1960 O PRO A 118 7.621 -6.059 -0.354 1.00 0.45 O ATOM 1961 CB PRO A 118 10.013 -5.252 -2.451 1.00 0.54 C ATOM 1962 CG PRO A 118 10.027 -4.104 -3.402 1.00 0.65 C ATOM 1963 CD PRO A 118 9.067 -4.463 -4.499 1.00 0.53 C ATOM 0 HA PRO A 118 8.573 -6.916 -2.484 1.00 0.53 H new ATOM 0 HB2 PRO A 118 10.246 -4.926 -1.437 1.00 0.54 H new ATOM 0 HB3 PRO A 118 10.758 -5.999 -2.725 1.00 0.54 H new ATOM 0 HG2 PRO A 118 9.725 -3.182 -2.905 1.00 0.65 H new ATOM 0 HG3 PRO A 118 11.029 -3.938 -3.799 1.00 0.65 H new ATOM 0 HD2 PRO A 118 8.593 -3.578 -4.924 1.00 0.53 H new ATOM 0 HD3 PRO A 118 9.567 -4.982 -5.317 1.00 0.53 H new ATOM 1971 N ALA A 119 7.156 -4.185 -1.481 1.00 0.46 N ATOM 1972 CA ALA A 119 6.286 -3.666 -0.440 1.00 0.42 C ATOM 1973 C ALA A 119 4.950 -4.398 -0.450 1.00 0.44 C ATOM 1974 O ALA A 119 4.360 -4.658 0.595 1.00 0.43 O ATOM 1975 CB ALA A 119 6.067 -2.174 -0.626 1.00 0.41 C ATOM 0 H ALA A 119 7.260 -3.574 -2.291 1.00 0.46 H new ATOM 0 HA ALA A 119 6.767 -3.830 0.524 1.00 0.42 H new ATOM 0 HB1 ALA A 119 5.413 -1.801 0.162 1.00 0.41 H new ATOM 0 HB2 ALA A 119 7.025 -1.657 -0.577 1.00 0.41 H new ATOM 0 HB3 ALA A 119 5.605 -1.992 -1.597 1.00 0.41 H new ATOM 1981 N CYS A 120 4.502 -4.764 -1.643 1.00 0.47 N ATOM 1982 CA CYS A 120 3.340 -5.626 -1.810 1.00 0.50 C ATOM 1983 C CYS A 120 3.558 -6.970 -1.112 1.00 0.52 C ATOM 1984 O CYS A 120 2.606 -7.603 -0.662 1.00 0.53 O ATOM 1985 CB CYS A 120 3.066 -5.844 -3.299 1.00 0.56 C ATOM 1986 SG CYS A 120 1.757 -7.060 -3.656 1.00 1.17 S ATOM 0 H CYS A 120 4.933 -4.473 -2.521 1.00 0.47 H new ATOM 0 HA CYS A 120 2.478 -5.140 -1.354 1.00 0.50 H new ATOM 0 HB2 CYS A 120 2.790 -4.890 -3.748 1.00 0.56 H new ATOM 0 HB3 CYS A 120 3.988 -6.169 -3.781 1.00 0.56 H new ATOM 1991 N LYS A 121 4.816 -7.401 -1.021 1.00 0.54 N ATOM 1992 CA LYS A 121 5.144 -8.658 -0.350 1.00 0.58 C ATOM 1993 C LYS A 121 4.713 -8.646 1.116 1.00 0.59 C ATOM 1994 O LYS A 121 4.072 -9.589 1.579 1.00 0.65 O ATOM 1995 CB LYS A 121 6.641 -8.956 -0.454 1.00 0.63 C ATOM 1996 CG LYS A 121 7.141 -9.082 -1.882 1.00 1.01 C ATOM 1997 CD LYS A 121 6.420 -10.197 -2.616 1.00 1.04 C ATOM 1998 CE LYS A 121 6.944 -10.384 -4.029 1.00 1.37 C ATOM 1999 NZ LYS A 121 8.406 -10.653 -4.054 1.00 1.47 N ATOM 0 H LYS A 121 5.620 -6.902 -1.401 1.00 0.54 H new ATOM 0 HA LYS A 121 4.590 -9.448 -0.858 1.00 0.58 H new ATOM 0 HB2 LYS A 121 7.196 -8.163 0.047 1.00 0.63 H new ATOM 0 HB3 LYS A 121 6.856 -9.882 0.080 1.00 0.63 H new ATOM 0 HG2 LYS A 121 6.990 -8.139 -2.408 1.00 1.01 H new ATOM 0 HG3 LYS A 121 8.213 -9.278 -1.879 1.00 1.01 H new ATOM 0 HD2 LYS A 121 6.534 -11.128 -2.061 1.00 1.04 H new ATOM 0 HD3 LYS A 121 5.353 -9.976 -2.652 1.00 1.04 H new ATOM 0 HE2 LYS A 121 6.416 -11.211 -4.504 1.00 1.37 H new ATOM 0 HE3 LYS A 121 6.731 -9.490 -4.615 1.00 1.37 H new ATOM 0 HZ1 LYS A 121 8.678 -11.005 -4.994 1.00 1.47 H new ATOM 0 HZ2 LYS A 121 8.924 -9.775 -3.850 1.00 1.47 H new ATOM 0 HZ3 LYS A 121 8.640 -11.368 -3.336 1.00 1.47 H new ATOM 2013 N LYS A 122 5.085 -7.600 1.857 1.00 0.54 N ATOM 2014 CA LYS A 122 4.616 -7.474 3.239 1.00 0.55 C ATOM 2015 C LYS A 122 3.101 -7.305 3.243 1.00 0.53 C ATOM 2016 O LYS A 122 2.429 -7.705 4.191 1.00 0.57 O ATOM 2017 CB LYS A 122 5.294 -6.318 3.984 1.00 0.52 C ATOM 2018 CG LYS A 122 4.951 -4.936 3.453 1.00 0.46 C ATOM 2019 CD LYS A 122 5.478 -3.824 4.352 1.00 0.47 C ATOM 2020 CE LYS A 122 6.980 -3.597 4.201 1.00 1.15 C ATOM 2021 NZ LYS A 122 7.792 -4.712 4.756 1.00 1.50 N ATOM 0 H LYS A 122 5.693 -6.847 1.535 1.00 0.54 H new ATOM 0 HA LYS A 122 4.887 -8.386 3.772 1.00 0.55 H new ATOM 0 HB2 LYS A 122 5.015 -6.368 5.037 1.00 0.52 H new ATOM 0 HB3 LYS A 122 6.374 -6.454 3.934 1.00 0.52 H new ATOM 0 HG2 LYS A 122 5.368 -4.820 2.453 1.00 0.46 H new ATOM 0 HG3 LYS A 122 3.869 -4.843 3.360 1.00 0.46 H new ATOM 0 HD2 LYS A 122 4.951 -2.898 4.122 1.00 0.47 H new ATOM 0 HD3 LYS A 122 5.255 -4.068 5.391 1.00 0.47 H new ATOM 0 HE2 LYS A 122 7.219 -3.471 3.145 1.00 1.15 H new ATOM 0 HE3 LYS A 122 7.255 -2.669 4.703 1.00 1.15 H new ATOM 0 HZ1 LYS A 122 8.632 -4.326 5.232 1.00 1.50 H new ATOM 0 HZ2 LYS A 122 7.222 -5.249 5.440 1.00 1.50 H new ATOM 0 HZ3 LYS A 122 8.091 -5.342 3.984 1.00 1.50 H new ATOM 2035 N ILE A 123 2.572 -6.693 2.194 1.00 0.49 N ATOM 2036 CA ILE A 123 1.147 -6.413 2.115 1.00 0.48 C ATOM 2037 C ILE A 123 0.297 -7.683 2.011 1.00 0.51 C ATOM 2038 O ILE A 123 -0.656 -7.904 2.753 1.00 0.54 O ATOM 2039 CB ILE A 123 0.826 -5.485 0.939 1.00 0.46 C ATOM 2040 CG1 ILE A 123 1.411 -4.101 1.212 1.00 0.44 C ATOM 2041 CG2 ILE A 123 -0.676 -5.406 0.728 1.00 0.47 C ATOM 2042 CD1 ILE A 123 1.182 -3.123 0.091 1.00 0.44 C ATOM 0 H ILE A 123 3.109 -6.381 1.385 1.00 0.49 H new ATOM 0 HA ILE A 123 0.889 -5.915 3.050 1.00 0.48 H new ATOM 0 HB ILE A 123 1.273 -5.883 0.028 1.00 0.46 H new ATOM 0 HG12 ILE A 123 0.972 -3.703 2.127 1.00 0.44 H new ATOM 0 HG13 ILE A 123 2.482 -4.196 1.388 1.00 0.44 H new ATOM 0 HG21 ILE A 123 -0.891 -4.744 -0.110 1.00 0.47 H new ATOM 0 HG22 ILE A 123 -1.066 -6.401 0.514 1.00 0.47 H new ATOM 0 HG23 ILE A 123 -1.150 -5.017 1.629 1.00 0.47 H new ATOM 0 HD11 ILE A 123 1.623 -2.161 0.352 1.00 0.44 H new ATOM 0 HD12 ILE A 123 1.645 -3.500 -0.821 1.00 0.44 H new ATOM 0 HD13 ILE A 123 0.111 -2.999 -0.071 1.00 0.44 H new ATOM 2054 N TYR A 124 0.720 -8.515 1.068 1.00 0.52 N ATOM 2055 CA TYR A 124 0.195 -9.858 0.829 1.00 0.58 C ATOM 2056 C TYR A 124 0.746 -10.855 1.845 1.00 0.64 C ATOM 2057 O TYR A 124 0.618 -12.059 1.643 1.00 0.82 O ATOM 2058 CB TYR A 124 0.512 -10.321 -0.595 1.00 0.59 C ATOM 2059 CG TYR A 124 -0.660 -10.195 -1.540 1.00 0.63 C ATOM 2060 CD1 TYR A 124 -0.956 -8.983 -2.148 1.00 0.95 C ATOM 2061 CD2 TYR A 124 -1.467 -11.288 -1.829 1.00 1.14 C ATOM 2062 CE1 TYR A 124 -2.022 -8.861 -3.021 1.00 1.05 C ATOM 2063 CE2 TYR A 124 -2.536 -11.174 -2.701 1.00 1.28 C ATOM 2064 CZ TYR A 124 -2.830 -9.969 -3.267 1.00 0.95 C ATOM 2065 OH TYR A 124 -3.875 -9.848 -4.159 1.00 1.17 O ATOM 0 H TYR A 124 1.468 -8.265 0.421 1.00 0.52 H new ATOM 0 HA TYR A 124 -0.888 -9.815 0.947 1.00 0.58 H new ATOM 0 HB2 TYR A 124 1.346 -9.736 -0.982 1.00 0.59 H new ATOM 0 HB3 TYR A 124 0.837 -11.361 -0.567 1.00 0.59 H new ATOM 0 HD1 TYR A 124 -0.343 -8.120 -1.936 1.00 0.95 H new ATOM 0 HD2 TYR A 124 -1.257 -12.241 -1.366 1.00 1.14 H new ATOM 0 HE1 TYR A 124 -2.226 -7.918 -3.506 1.00 1.05 H new ATOM 0 HE2 TYR A 124 -3.138 -12.040 -2.933 1.00 1.28 H new ATOM 0 HH TYR A 124 -4.347 -10.704 -4.228 1.00 1.17 H new ATOM 2075 N GLY A 125 1.155 -10.320 3.002 1.00 0.73 N ATOM 2076 CA GLY A 125 2.266 -10.779 3.872 1.00 0.86 C ATOM 2077 C GLY A 125 2.855 -12.176 3.646 1.00 0.71 C ATOM 2078 O GLY A 125 3.273 -12.836 4.599 1.00 0.78 O ATOM 0 H GLY A 125 0.692 -9.498 3.389 1.00 0.73 H new ATOM 0 HA2 GLY A 125 3.079 -10.059 3.776 1.00 0.86 H new ATOM 0 HA3 GLY A 125 1.918 -10.731 4.904 1.00 0.86 H new ATOM 2082 N VAL A 126 2.861 -12.611 2.397 1.00 0.71 N ATOM 2083 CA VAL A 126 3.495 -13.853 1.943 1.00 0.84 C ATOM 2084 C VAL A 126 4.844 -14.130 2.618 1.00 0.99 C ATOM 2085 O VAL A 126 5.213 -15.286 2.808 1.00 1.53 O ATOM 2086 CB VAL A 126 3.724 -13.820 0.412 1.00 0.93 C ATOM 2087 CG1 VAL A 126 2.416 -13.970 -0.345 1.00 1.38 C ATOM 2088 CG2 VAL A 126 4.417 -12.525 0.001 1.00 0.98 C ATOM 0 H VAL A 126 2.411 -12.097 1.640 1.00 0.71 H new ATOM 0 HA VAL A 126 2.805 -14.650 2.220 1.00 0.84 H new ATOM 0 HB VAL A 126 4.366 -14.663 0.157 1.00 0.93 H new ATOM 0 HG11 VAL A 126 2.611 -13.943 -1.417 1.00 1.38 H new ATOM 0 HG12 VAL A 126 1.952 -14.921 -0.085 1.00 1.38 H new ATOM 0 HG13 VAL A 126 1.745 -13.154 -0.077 1.00 1.38 H new ATOM 0 HG21 VAL A 126 4.569 -12.521 -1.078 1.00 0.98 H new ATOM 0 HG22 VAL A 126 3.796 -11.675 0.283 1.00 0.98 H new ATOM 0 HG23 VAL A 126 5.381 -12.453 0.504 1.00 0.98 H new