USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=32 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 70 HIS : no HE2:sc= -0.211 X(o=0.046,f=0) USER MOD Set 1.2: A 112 TYR OH : rot -137:sc= 0.258 USER MOD Set 2.1: A 45 TYR OH : rot -22:sc= 1.22 USER MOD Set 2.2: A 57 THR OG1 : rot 92:sc= 1.21 USER MOD Set 3.1: A 17 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 20 GLN : amide:sc= -0.933 K(o=-0.93,f=-3.4!) USER MOD Set 4.1: A 11 THR OG1 : rot 180:sc= 0.456 USER MOD Set 4.2: A 12 HIS : no HE2:sc= -0.366 K(o=0.09,f=-0.96) USER MOD Set 5.1: A 4 THR OG1 : rot 26:sc= 0.935 USER MOD Set 5.2: A 7 SER OG : rot 180:sc= 0.823 USER MOD Single : A 8 SER OG : rot -6:sc= -0.505 USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0183) USER MOD Single : A 18 GLN : amide:sc= -0.21 K(o=-0.21,f=-0.9) USER MOD Single : A 21 LYS NZ :NH3+ -178:sc= 0.25 (180deg=0.246) USER MOD Single : A 26 LYS NZ :NH3+ -165:sc= -0.0391 (180deg=-0.263) USER MOD Single : A 27 MET CE :methyl -150:sc= -0.201 (180deg=-1.28) USER MOD Single : A 28 LYS NZ :NH3+ 158:sc= 1.24 (180deg=0.998) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= -0.0522 (180deg=-0.275) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -170:sc= 1.88 (180deg=1.51) USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= -0.0065 (180deg=-0.119) 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) USER MOD Single : A 44 TYR OH : rot 15:sc= -0.821 USER MOD Single : A 53 LYS NZ :NH3+ -164:sc= -0.0418 (180deg=-0.307) USER MOD Single : A 54 LYS NZ :NH3+ 176:sc= 1.16 (180deg=1.01) USER MOD Single : A 59 HIS : no HD1:sc= -0.07 X(o=-0.07,f=-0.14) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -174:sc= 1.06 (180deg=0.914) USER MOD Single : A 81 LYS NZ :NH3+ 158:sc= 1.25 (180deg=1.08) USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 84 LYS NZ :NH3+ -168:sc= -0.0328 (180deg=-0.201) USER MOD Single : A 86 SER OG : rot 78:sc= 1.02 USER MOD Single : A 89 SER OG : rot 180:sc= -1.85! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -141:sc= 1.16 (180deg=0.563) USER MOD Single : A 96 LYS NZ :NH3+ -167:sc= 0.3 (180deg=0.239) USER MOD Single : A 102 HIS : no HD1:sc= -0.385 X(o=-0.39,f=0.087) USER MOD Single : A 105 THR OG1 : rot -30:sc= 1.15 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= -1.99 K(o=-2,f=-0.7) USER MOD Single : A 121 LYS NZ :NH3+ 142:sc= 0.701 (180deg=-0.751!) USER MOD Single : A 122 LYS NZ :NH3+ 169:sc= 1.29 (180deg=1.18) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N PHE A 3 -0.891 5.446 -11.498 1.00 1.08 N ATOM 106 CA PHE A 3 -1.508 5.313 -10.185 1.00 0.89 C ATOM 107 C PHE A 3 -1.167 6.547 -9.372 1.00 0.90 C ATOM 108 O PHE A 3 -0.074 7.095 -9.520 1.00 1.22 O ATOM 109 CB PHE A 3 -1.008 4.058 -9.457 1.00 0.94 C ATOM 110 CG PHE A 3 -1.516 2.767 -10.037 1.00 0.86 C ATOM 111 CD1 PHE A 3 -2.796 2.318 -9.751 1.00 0.90 C ATOM 112 CD2 PHE A 3 -0.711 2.003 -10.866 1.00 0.97 C ATOM 113 CE1 PHE A 3 -3.262 1.133 -10.282 1.00 0.97 C ATOM 114 CE2 PHE A 3 -1.173 0.818 -11.400 1.00 0.99 C ATOM 115 CZ PHE A 3 -2.465 0.386 -11.106 1.00 0.96 C ATOM 0 HA PHE A 3 -2.587 5.216 -10.306 1.00 0.89 H new ATOM 0 HB2 PHE A 3 0.082 4.049 -9.478 1.00 0.94 H new ATOM 0 HB3 PHE A 3 -1.306 4.116 -8.410 1.00 0.94 H new ATOM 0 HD1 PHE A 3 -3.435 2.902 -9.106 1.00 0.90 H new ATOM 0 HD2 PHE A 3 0.289 2.339 -11.097 1.00 0.97 H new ATOM 0 HE1 PHE A 3 -4.260 0.794 -10.046 1.00 0.97 H new ATOM 0 HE2 PHE A 3 -0.537 0.228 -12.043 1.00 0.99 H new ATOM 0 HZ PHE A 3 -2.836 -0.536 -11.528 1.00 0.96 H new ATOM 125 N THR A 4 -2.082 7.002 -8.531 1.00 0.74 N ATOM 126 CA THR A 4 -1.852 8.167 -7.696 1.00 0.76 C ATOM 127 C THR A 4 -2.481 7.959 -6.329 1.00 0.71 C ATOM 128 O THR A 4 -3.434 7.193 -6.181 1.00 0.76 O ATOM 129 CB THR A 4 -2.427 9.445 -8.342 1.00 0.77 C ATOM 130 OG1 THR A 4 -3.741 9.195 -8.860 1.00 0.68 O ATOM 131 CG2 THR A 4 -1.526 9.948 -9.459 1.00 0.96 C ATOM 0 H THR A 4 -3.001 6.576 -8.409 1.00 0.74 H new ATOM 0 HA THR A 4 -0.775 8.294 -7.589 1.00 0.76 H new ATOM 0 HB THR A 4 -2.483 10.212 -7.569 1.00 0.77 H new ATOM 0 HG1 THR A 4 -4.151 8.454 -8.367 1.00 0.68 H new ATOM 0 HG21 THR A 4 -1.956 10.849 -9.896 1.00 0.96 H new ATOM 0 HG22 THR A 4 -0.539 10.176 -9.056 1.00 0.96 H new ATOM 0 HG23 THR A 4 -1.436 9.180 -10.227 1.00 0.96 H new ATOM 139 N LEU A 5 -1.929 8.632 -5.336 1.00 0.74 N ATOM 140 CA LEU A 5 -2.337 8.447 -3.950 1.00 0.77 C ATOM 141 C LEU A 5 -3.725 8.997 -3.650 1.00 0.67 C ATOM 142 O LEU A 5 -4.398 8.481 -2.759 1.00 0.73 O ATOM 143 CB LEU A 5 -1.338 9.108 -3.001 1.00 0.91 C ATOM 144 CG LEU A 5 -0.220 8.210 -2.472 1.00 1.02 C ATOM 145 CD1 LEU A 5 0.710 7.768 -3.591 1.00 1.67 C ATOM 146 CD2 LEU A 5 0.552 8.934 -1.381 1.00 1.67 C ATOM 0 H LEU A 5 -1.187 9.321 -5.464 1.00 0.74 H new ATOM 0 HA LEU A 5 -2.363 7.369 -3.794 1.00 0.77 H new ATOM 0 HB2 LEU A 5 -0.884 9.955 -3.516 1.00 0.91 H new ATOM 0 HB3 LEU A 5 -1.887 9.510 -2.150 1.00 0.91 H new ATOM 0 HG LEU A 5 -0.671 7.312 -2.049 1.00 1.02 H new ATOM 0 HD11 LEU A 5 1.494 7.131 -3.182 1.00 1.67 H new ATOM 0 HD12 LEU A 5 0.143 7.212 -4.337 1.00 1.67 H new ATOM 0 HD13 LEU A 5 1.161 8.644 -4.057 1.00 1.67 H new ATOM 0 HD21 LEU A 5 1.347 8.288 -1.008 1.00 1.67 H new ATOM 0 HD22 LEU A 5 0.987 9.847 -1.788 1.00 1.67 H new ATOM 0 HD23 LEU A 5 -0.123 9.186 -0.564 1.00 1.67 H new ATOM 158 N GLU A 6 -4.172 10.002 -4.404 1.00 0.60 N ATOM 159 CA GLU A 6 -5.578 10.404 -4.355 1.00 0.58 C ATOM 160 C GLU A 6 -6.440 9.197 -4.694 1.00 0.59 C ATOM 161 O GLU A 6 -7.416 8.938 -3.988 1.00 0.61 O ATOM 162 CB GLU A 6 -5.868 11.553 -5.321 1.00 0.62 C ATOM 163 CG GLU A 6 -5.083 12.819 -5.018 1.00 0.87 C ATOM 164 CD GLU A 6 -3.788 12.918 -5.800 1.00 1.35 C ATOM 165 OE1 GLU A 6 -2.940 12.006 -5.662 1.00 1.80 O ATOM 166 OE2 GLU A 6 -3.611 13.897 -6.552 1.00 1.68 O ATOM 0 H GLU A 6 -3.593 10.544 -5.045 1.00 0.60 H new ATOM 0 HA GLU A 6 -5.809 10.762 -3.352 1.00 0.58 H new ATOM 0 HB2 GLU A 6 -5.640 11.229 -6.336 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -6.934 11.781 -5.291 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -5.703 13.687 -5.243 1.00 0.87 H new ATOM 0 HG3 GLU A 6 -4.860 12.855 -3.952 1.00 0.87 H new ATOM 173 N SER A 7 -6.111 8.454 -5.745 1.00 0.59 N ATOM 174 CA SER A 7 -6.918 7.319 -6.183 1.00 0.63 C ATOM 175 C SER A 7 -7.230 6.328 -5.054 1.00 0.62 C ATOM 176 O SER A 7 -8.217 5.596 -5.133 1.00 0.78 O ATOM 177 CB SER A 7 -6.200 6.591 -7.321 1.00 0.67 C ATOM 178 OG SER A 7 -5.759 7.508 -8.309 1.00 1.14 O ATOM 0 H SER A 7 -5.282 8.620 -6.315 1.00 0.59 H new ATOM 0 HA SER A 7 -7.873 7.720 -6.523 1.00 0.63 H new ATOM 0 HB2 SER A 7 -5.348 6.039 -6.925 1.00 0.67 H new ATOM 0 HB3 SER A 7 -6.871 5.860 -7.771 1.00 0.67 H new ATOM 0 HG SER A 7 -5.301 7.021 -9.026 1.00 1.14 H new ATOM 184 N SER A 8 -6.414 6.296 -4.004 1.00 0.53 N ATOM 185 CA SER A 8 -6.613 5.337 -2.927 1.00 0.52 C ATOM 186 C SER A 8 -7.330 5.898 -1.696 1.00 0.48 C ATOM 187 O SER A 8 -7.805 5.130 -0.867 1.00 0.48 O ATOM 188 CB SER A 8 -5.293 4.688 -2.521 1.00 0.57 C ATOM 189 OG SER A 8 -4.321 5.665 -2.177 1.00 1.02 O ATOM 0 H SER A 8 -5.616 6.918 -3.878 1.00 0.53 H new ATOM 0 HA SER A 8 -7.283 4.584 -3.342 1.00 0.52 H new ATOM 0 HB2 SER A 8 -5.458 4.022 -1.674 1.00 0.57 H new ATOM 0 HB3 SER A 8 -4.920 4.074 -3.341 1.00 0.57 H new ATOM 0 HG SER A 8 -4.677 6.559 -2.360 1.00 1.02 H new ATOM 195 N LEU A 9 -7.351 7.226 -1.536 1.00 0.47 N ATOM 196 CA LEU A 9 -7.610 7.840 -0.234 1.00 0.46 C ATOM 197 C LEU A 9 -8.939 7.493 0.438 1.00 0.46 C ATOM 198 O LEU A 9 -9.072 7.547 1.657 1.00 0.42 O ATOM 199 CB LEU A 9 -7.463 9.341 -0.346 1.00 0.49 C ATOM 200 CG LEU A 9 -6.086 9.792 -0.802 1.00 0.49 C ATOM 201 CD1 LEU A 9 -6.118 11.258 -1.135 1.00 1.04 C ATOM 202 CD2 LEU A 9 -5.028 9.486 0.255 1.00 0.78 C ATOM 0 H LEU A 9 -7.192 7.893 -2.291 1.00 0.47 H new ATOM 0 HA LEU A 9 -6.861 7.404 0.427 1.00 0.46 H new ATOM 0 HB2 LEU A 9 -8.208 9.718 -1.046 1.00 0.49 H new ATOM 0 HB3 LEU A 9 -7.680 9.791 0.623 1.00 0.49 H new ATOM 0 HG LEU A 9 -5.813 9.236 -1.699 1.00 0.49 H new ATOM 0 HD11 LEU A 9 -5.129 11.579 -1.462 1.00 1.04 H new ATOM 0 HD12 LEU A 9 -6.839 11.434 -1.934 1.00 1.04 H new ATOM 0 HD13 LEU A 9 -6.410 11.826 -0.251 1.00 1.04 H new ATOM 0 HD21 LEU A 9 -4.053 9.820 -0.099 1.00 0.78 H new ATOM 0 HD22 LEU A 9 -5.276 10.007 1.180 1.00 0.78 H new ATOM 0 HD23 LEU A 9 -4.999 8.412 0.440 1.00 0.78 H new ATOM 214 N ASP A 10 -9.915 7.161 -0.397 1.00 0.51 N ATOM 215 CA ASP A 10 -11.220 6.727 0.099 1.00 0.53 C ATOM 216 C ASP A 10 -11.365 5.223 -0.008 1.00 0.54 C ATOM 217 O ASP A 10 -12.410 4.666 0.336 1.00 0.57 O ATOM 218 CB ASP A 10 -12.349 7.393 -0.690 1.00 0.57 C ATOM 219 CG ASP A 10 -12.313 8.904 -0.613 1.00 0.78 C ATOM 220 OD1 ASP A 10 -12.470 9.447 0.498 1.00 0.77 O ATOM 221 OD2 ASP A 10 -12.128 9.556 -1.661 1.00 1.32 O ATOM 0 H ASP A 10 -9.832 7.183 -1.413 1.00 0.51 H new ATOM 0 HA ASP A 10 -11.287 7.022 1.146 1.00 0.53 H new ATOM 0 HB2 ASP A 10 -12.285 7.086 -1.734 1.00 0.57 H new ATOM 0 HB3 ASP A 10 -13.308 7.038 -0.312 1.00 0.57 H new ATOM 226 N THR A 11 -10.328 4.563 -0.475 1.00 0.54 N ATOM 227 CA THR A 11 -10.368 3.127 -0.606 1.00 0.56 C ATOM 228 C THR A 11 -9.201 2.455 0.112 1.00 0.53 C ATOM 229 O THR A 11 -9.244 2.220 1.320 1.00 0.53 O ATOM 230 CB THR A 11 -10.405 2.687 -2.090 1.00 0.62 C ATOM 231 OG1 THR A 11 -9.337 3.310 -2.827 1.00 0.59 O ATOM 232 CG2 THR A 11 -11.742 3.044 -2.725 1.00 0.69 C ATOM 0 H THR A 11 -9.452 4.996 -0.768 1.00 0.54 H new ATOM 0 HA THR A 11 -11.292 2.801 -0.128 1.00 0.56 H new ATOM 0 HB THR A 11 -10.277 1.605 -2.123 1.00 0.62 H new ATOM 0 HG1 THR A 11 -9.373 3.021 -3.763 1.00 0.59 H new ATOM 0 HG21 THR A 11 -11.746 2.726 -3.768 1.00 0.69 H new ATOM 0 HG22 THR A 11 -12.546 2.540 -2.189 1.00 0.69 H new ATOM 0 HG23 THR A 11 -11.893 4.122 -2.674 1.00 0.69 H new ATOM 240 N HIS A 12 -8.148 2.179 -0.648 1.00 0.51 N ATOM 241 CA HIS A 12 -6.985 1.475 -0.120 1.00 0.49 C ATOM 242 C HIS A 12 -6.317 2.269 1.007 1.00 0.43 C ATOM 243 O HIS A 12 -5.865 1.689 1.988 1.00 0.43 O ATOM 244 CB HIS A 12 -6.001 1.142 -1.245 1.00 0.49 C ATOM 245 CG HIS A 12 -6.671 0.500 -2.427 1.00 0.57 C ATOM 246 ND1 HIS A 12 -7.347 -0.701 -2.358 1.00 1.50 N ATOM 247 CD2 HIS A 12 -6.811 0.933 -3.701 1.00 0.90 C ATOM 248 CE1 HIS A 12 -7.873 -0.975 -3.539 1.00 1.34 C ATOM 249 NE2 HIS A 12 -7.561 0.002 -4.372 1.00 0.66 N ATOM 0 H HIS A 12 -8.075 2.432 -1.633 1.00 0.51 H new ATOM 0 HA HIS A 12 -7.323 0.534 0.314 1.00 0.49 H new ATOM 0 HB2 HIS A 12 -5.501 2.055 -1.567 1.00 0.49 H new ATOM 0 HB3 HIS A 12 -5.230 0.474 -0.862 1.00 0.49 H new ATOM 0 HD1 HIS A 12 -7.428 -1.286 -1.526 1.00 1.50 H new ATOM 0 HD2 HIS A 12 -6.406 1.845 -4.114 1.00 0.90 H new ATOM 0 HE1 HIS A 12 -8.459 -1.849 -3.782 1.00 1.34 H new ATOM 258 N LEU A 13 -6.238 3.580 0.872 1.00 0.40 N ATOM 259 CA LEU A 13 -5.473 4.374 1.825 1.00 0.36 C ATOM 260 C LEU A 13 -6.362 5.209 2.744 1.00 0.34 C ATOM 261 O LEU A 13 -5.943 6.226 3.298 1.00 0.32 O ATOM 262 CB LEU A 13 -4.469 5.273 1.095 1.00 0.34 C ATOM 263 CG LEU A 13 -3.081 4.650 0.851 1.00 0.38 C ATOM 264 CD1 LEU A 13 -2.461 4.184 2.156 1.00 1.13 C ATOM 265 CD2 LEU A 13 -3.156 3.488 -0.131 1.00 0.84 C ATOM 0 H LEU A 13 -6.685 4.114 0.126 1.00 0.40 H new ATOM 0 HA LEU A 13 -4.932 3.670 2.457 1.00 0.36 H new ATOM 0 HB2 LEU A 13 -4.895 5.558 0.133 1.00 0.34 H new ATOM 0 HB3 LEU A 13 -4.341 6.189 1.671 1.00 0.34 H new ATOM 0 HG LEU A 13 -2.450 5.425 0.416 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -1.482 3.748 1.958 1.00 1.13 H new ATOM 0 HD12 LEU A 13 -2.351 5.033 2.830 1.00 1.13 H new ATOM 0 HD13 LEU A 13 -3.105 3.436 2.618 1.00 1.13 H new ATOM 0 HD21 LEU A 13 -2.159 3.072 -0.280 1.00 0.84 H new ATOM 0 HD22 LEU A 13 -3.815 2.717 0.268 1.00 0.84 H new ATOM 0 HD23 LEU A 13 -3.547 3.842 -1.085 1.00 0.84 H new ATOM 277 N LYS A 14 -7.596 4.749 2.904 1.00 0.38 N ATOM 278 CA LYS A 14 -8.593 5.470 3.682 1.00 0.38 C ATOM 279 C LYS A 14 -8.337 5.354 5.182 1.00 0.35 C ATOM 280 O LYS A 14 -8.909 6.092 5.979 1.00 0.36 O ATOM 281 CB LYS A 14 -10.003 4.980 3.341 1.00 0.45 C ATOM 282 CG LYS A 14 -10.350 3.602 3.878 1.00 0.64 C ATOM 283 CD LYS A 14 -11.714 3.157 3.373 1.00 0.67 C ATOM 284 CE LYS A 14 -12.118 1.802 3.932 1.00 1.26 C ATOM 285 NZ LYS A 14 -12.447 1.871 5.381 1.00 1.69 N ATOM 0 H LYS A 14 -7.931 3.874 2.502 1.00 0.38 H new ATOM 0 HA LYS A 14 -8.512 6.524 3.415 1.00 0.38 H new ATOM 0 HB2 LYS A 14 -10.725 5.698 3.730 1.00 0.45 H new ATOM 0 HB3 LYS A 14 -10.116 4.970 2.257 1.00 0.45 H new ATOM 0 HG2 LYS A 14 -9.590 2.884 3.569 1.00 0.64 H new ATOM 0 HG3 LYS A 14 -10.348 3.620 4.968 1.00 0.64 H new ATOM 0 HD2 LYS A 14 -12.462 3.900 3.649 1.00 0.67 H new ATOM 0 HD3 LYS A 14 -11.699 3.109 2.284 1.00 0.67 H new ATOM 0 HE2 LYS A 14 -12.981 1.426 3.382 1.00 1.26 H new ATOM 0 HE3 LYS A 14 -11.307 1.090 3.778 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 -12.814 0.951 5.698 1.00 1.69 H new ATOM 0 HZ2 LYS A 14 -11.590 2.107 5.921 1.00 1.69 H new ATOM 0 HZ3 LYS A 14 -13.168 2.604 5.539 1.00 1.69 H new ATOM 299 N TRP A 15 -7.471 4.418 5.552 1.00 0.34 N ATOM 300 CA TRP A 15 -7.114 4.205 6.952 1.00 0.33 C ATOM 301 C TRP A 15 -6.143 5.283 7.434 1.00 0.29 C ATOM 302 O TRP A 15 -5.841 5.371 8.627 1.00 0.29 O ATOM 303 CB TRP A 15 -6.473 2.828 7.130 1.00 0.35 C ATOM 304 CG TRP A 15 -5.264 2.630 6.270 1.00 0.33 C ATOM 305 CD1 TRP A 15 -5.250 2.198 4.979 1.00 0.34 C ATOM 306 CD2 TRP A 15 -3.894 2.862 6.632 1.00 0.30 C ATOM 307 NE1 TRP A 15 -3.962 2.146 4.512 1.00 0.33 N ATOM 308 CE2 TRP A 15 -3.111 2.548 5.508 1.00 0.30 C ATOM 309 CE3 TRP A 15 -3.256 3.304 7.796 1.00 0.30 C ATOM 310 CZ2 TRP A 15 -1.723 2.660 5.512 1.00 0.30 C ATOM 311 CZ3 TRP A 15 -1.879 3.415 7.799 1.00 0.30 C ATOM 312 CH2 TRP A 15 -1.126 3.095 6.664 1.00 0.30 C ATOM 0 H TRP A 15 -7.000 3.791 4.899 1.00 0.34 H new ATOM 0 HA TRP A 15 -8.026 4.261 7.546 1.00 0.33 H new ATOM 0 HB2 TRP A 15 -6.194 2.696 8.175 1.00 0.35 H new ATOM 0 HB3 TRP A 15 -7.208 2.058 6.896 1.00 0.35 H new ATOM 0 HD1 TRP A 15 -6.127 1.934 4.406 1.00 0.34 H new ATOM 0 HE1 TRP A 15 -3.683 1.855 3.575 1.00 0.33 H new ATOM 0 HE3 TRP A 15 -3.830 3.554 8.676 1.00 0.30 H new ATOM 0 HZ2 TRP A 15 -1.139 2.413 4.638 1.00 0.30 H new ATOM 0 HZ3 TRP A 15 -1.375 3.754 8.692 1.00 0.30 H new ATOM 0 HH2 TRP A 15 -0.051 3.193 6.698 1.00 0.30 H new ATOM 323 N LEU A 16 -5.661 6.106 6.507 1.00 0.28 N ATOM 324 CA LEU A 16 -4.847 7.255 6.866 1.00 0.26 C ATOM 325 C LEU A 16 -5.757 8.324 7.470 1.00 0.27 C ATOM 326 O LEU A 16 -6.916 8.474 7.083 1.00 0.31 O ATOM 327 CB LEU A 16 -4.123 7.831 5.633 1.00 0.25 C ATOM 328 CG LEU A 16 -3.127 6.905 4.913 1.00 0.26 C ATOM 329 CD1 LEU A 16 -2.701 7.525 3.591 1.00 0.26 C ATOM 330 CD2 LEU A 16 -1.891 6.640 5.762 1.00 0.30 C ATOM 0 H LEU A 16 -5.821 5.996 5.506 1.00 0.28 H new ATOM 0 HA LEU A 16 -4.090 6.943 7.585 1.00 0.26 H new ATOM 0 HB2 LEU A 16 -4.878 8.143 4.912 1.00 0.25 H new ATOM 0 HB3 LEU A 16 -3.588 8.729 5.943 1.00 0.25 H new ATOM 0 HG LEU A 16 -3.632 5.956 4.735 1.00 0.26 H new ATOM 0 HD11 LEU A 16 -1.996 6.862 3.089 1.00 0.26 H new ATOM 0 HD12 LEU A 16 -3.577 7.670 2.958 1.00 0.26 H new ATOM 0 HD13 LEU A 16 -2.225 8.487 3.777 1.00 0.26 H new ATOM 0 HD21 LEU A 16 -1.211 5.982 5.220 1.00 0.30 H new ATOM 0 HD22 LEU A 16 -1.389 7.583 5.978 1.00 0.30 H new ATOM 0 HD23 LEU A 16 -2.187 6.165 6.697 1.00 0.30 H new ATOM 342 N SER A 17 -5.196 9.050 8.423 1.00 0.27 N ATOM 343 CA SER A 17 -5.927 10.151 9.049 1.00 0.30 C ATOM 344 C SER A 17 -6.053 11.307 8.062 1.00 0.33 C ATOM 345 O SER A 17 -5.315 11.342 7.082 1.00 0.34 O ATOM 346 CB SER A 17 -5.204 10.613 10.315 1.00 0.31 C ATOM 347 OG SER A 17 -4.911 9.519 11.166 1.00 1.24 O ATOM 0 H SER A 17 -4.251 8.904 8.779 1.00 0.27 H new ATOM 0 HA SER A 17 -6.924 9.807 9.326 1.00 0.30 H new ATOM 0 HB2 SER A 17 -4.280 11.123 10.043 1.00 0.31 H new ATOM 0 HB3 SER A 17 -5.823 11.336 10.847 1.00 0.31 H new ATOM 0 HG SER A 17 -4.447 9.842 11.967 1.00 1.24 H new ATOM 353 N GLN A 18 -6.973 12.244 8.290 1.00 0.36 N ATOM 354 CA GLN A 18 -7.090 13.398 7.397 1.00 0.41 C ATOM 355 C GLN A 18 -5.754 14.128 7.363 1.00 0.41 C ATOM 356 O GLN A 18 -5.257 14.487 6.297 1.00 0.42 O ATOM 357 CB GLN A 18 -8.216 14.338 7.833 1.00 0.47 C ATOM 358 CG GLN A 18 -8.461 15.484 6.861 1.00 1.19 C ATOM 359 CD GLN A 18 -8.845 14.999 5.477 1.00 1.41 C ATOM 360 OE1 GLN A 18 -9.456 13.939 5.325 1.00 1.90 O ATOM 361 NE2 GLN A 18 -8.488 15.764 4.459 1.00 1.91 N ATOM 0 H GLN A 18 -7.634 12.230 9.066 1.00 0.36 H new ATOM 0 HA GLN A 18 -7.344 13.048 6.396 1.00 0.41 H new ATOM 0 HB2 GLN A 18 -9.136 13.763 7.944 1.00 0.47 H new ATOM 0 HB3 GLN A 18 -7.976 14.749 8.814 1.00 0.47 H new ATOM 0 HG2 GLN A 18 -9.253 16.124 7.251 1.00 1.19 H new ATOM 0 HG3 GLN A 18 -7.562 16.096 6.792 1.00 1.19 H new ATOM 0 HE21 GLN A 18 -7.983 16.634 4.627 1.00 1.91 H new ATOM 0 HE22 GLN A 18 -8.718 15.484 3.505 1.00 1.91 H new ATOM 370 N GLU A 19 -5.192 14.347 8.542 1.00 0.41 N ATOM 371 CA GLU A 19 -3.894 14.963 8.668 1.00 0.42 C ATOM 372 C GLU A 19 -2.852 14.192 7.864 1.00 0.40 C ATOM 373 O GLU A 19 -1.952 14.785 7.278 1.00 0.42 O ATOM 374 CB GLU A 19 -3.514 15.002 10.136 1.00 0.41 C ATOM 375 CG GLU A 19 -4.297 16.017 10.945 1.00 1.18 C ATOM 376 CD GLU A 19 -3.914 17.438 10.601 1.00 1.79 C ATOM 377 OE1 GLU A 19 -2.941 17.955 11.180 1.00 2.01 O ATOM 378 OE2 GLU A 19 -4.592 18.046 9.740 1.00 2.49 O ATOM 0 H GLU A 19 -5.627 14.101 9.431 1.00 0.41 H new ATOM 0 HA GLU A 19 -3.932 15.978 8.273 1.00 0.42 H new ATOM 0 HB2 GLU A 19 -3.666 14.013 10.567 1.00 0.41 H new ATOM 0 HB3 GLU A 19 -2.451 15.227 10.220 1.00 0.41 H new ATOM 0 HG2 GLU A 19 -5.363 15.877 10.767 1.00 1.18 H new ATOM 0 HG3 GLU A 19 -4.125 15.843 12.007 1.00 1.18 H new ATOM 385 N GLN A 20 -2.997 12.871 7.819 1.00 0.37 N ATOM 386 CA GLN A 20 -2.093 12.036 7.040 1.00 0.36 C ATOM 387 C GLN A 20 -2.383 12.197 5.549 1.00 0.38 C ATOM 388 O GLN A 20 -1.465 12.293 4.747 1.00 0.41 O ATOM 389 CB GLN A 20 -2.206 10.572 7.462 1.00 0.33 C ATOM 390 CG GLN A 20 -1.662 10.299 8.857 1.00 0.37 C ATOM 391 CD GLN A 20 -1.926 8.880 9.321 1.00 0.77 C ATOM 392 OE1 GLN A 20 -2.026 7.962 8.515 1.00 1.57 O ATOM 393 NE2 GLN A 20 -2.039 8.690 10.624 1.00 1.04 N ATOM 0 H GLN A 20 -3.729 12.359 8.311 1.00 0.37 H new ATOM 0 HA GLN A 20 -1.070 12.359 7.231 1.00 0.36 H new ATOM 0 HB2 GLN A 20 -3.253 10.271 7.423 1.00 0.33 H new ATOM 0 HB3 GLN A 20 -1.669 9.952 6.744 1.00 0.33 H new ATOM 0 HG2 GLN A 20 -0.588 10.486 8.867 1.00 0.37 H new ATOM 0 HG3 GLN A 20 -2.114 10.997 9.562 1.00 0.37 H new ATOM 0 HE21 GLN A 20 -1.950 9.479 11.264 1.00 1.04 H new ATOM 0 HE22 GLN A 20 -2.215 7.754 10.990 1.00 1.04 H new ATOM 402 N LYS A 21 -3.662 12.241 5.185 1.00 0.38 N ATOM 403 CA LYS A 21 -4.065 12.550 3.812 1.00 0.42 C ATOM 404 C LYS A 21 -3.382 13.830 3.350 1.00 0.42 C ATOM 405 O LYS A 21 -2.702 13.859 2.329 1.00 0.43 O ATOM 406 CB LYS A 21 -5.587 12.760 3.731 1.00 0.47 C ATOM 407 CG LYS A 21 -6.390 11.564 3.247 1.00 0.56 C ATOM 408 CD LYS A 21 -6.315 10.385 4.204 1.00 0.54 C ATOM 409 CE LYS A 21 -7.157 9.216 3.712 1.00 0.57 C ATOM 410 NZ LYS A 21 -8.602 9.565 3.605 1.00 0.95 N ATOM 0 H LYS A 21 -4.440 12.067 5.821 1.00 0.38 H new ATOM 0 HA LYS A 21 -3.775 11.713 3.176 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -5.950 13.043 4.719 1.00 0.47 H new ATOM 0 HB3 LYS A 21 -5.785 13.601 3.066 1.00 0.47 H new ATOM 0 HG2 LYS A 21 -7.432 11.858 3.119 1.00 0.56 H new ATOM 0 HG3 LYS A 21 -6.023 11.257 2.268 1.00 0.56 H new ATOM 0 HD2 LYS A 21 -5.278 10.068 4.313 1.00 0.54 H new ATOM 0 HD3 LYS A 21 -6.659 10.693 5.191 1.00 0.54 H new ATOM 0 HE2 LYS A 21 -6.791 8.892 2.738 1.00 0.57 H new ATOM 0 HE3 LYS A 21 -7.038 8.374 4.393 1.00 0.57 H new ATOM 0 HZ1 LYS A 21 -9.139 8.729 3.299 1.00 0.95 H new ATOM 0 HZ2 LYS A 21 -8.952 9.882 4.532 1.00 0.95 H new ATOM 0 HZ3 LYS A 21 -8.724 10.328 2.909 1.00 0.95 H new ATOM 424 N ASP A 22 -3.555 14.867 4.146 1.00 0.44 N ATOM 425 CA ASP A 22 -2.991 16.183 3.869 1.00 0.46 C ATOM 426 C ASP A 22 -1.467 16.190 3.959 1.00 0.46 C ATOM 427 O ASP A 22 -0.813 16.962 3.260 1.00 0.48 O ATOM 428 CB ASP A 22 -3.553 17.183 4.887 1.00 0.49 C ATOM 429 CG ASP A 22 -2.993 18.583 4.719 1.00 0.58 C ATOM 430 OD1 ASP A 22 -3.454 19.310 3.816 1.00 0.67 O ATOM 431 OD2 ASP A 22 -2.107 18.973 5.509 1.00 0.64 O ATOM 0 H ASP A 22 -4.094 14.825 5.011 1.00 0.44 H new ATOM 0 HA ASP A 22 -3.265 16.457 2.850 1.00 0.46 H new ATOM 0 HB2 ASP A 22 -4.638 17.219 4.791 1.00 0.49 H new ATOM 0 HB3 ASP A 22 -3.333 16.829 5.894 1.00 0.49 H new ATOM 436 N GLU A 23 -0.893 15.326 4.783 1.00 0.44 N ATOM 437 CA GLU A 23 0.533 15.097 4.787 1.00 0.45 C ATOM 438 C GLU A 23 0.995 14.507 3.454 1.00 0.42 C ATOM 439 O GLU A 23 1.850 15.079 2.778 1.00 0.44 O ATOM 440 CB GLU A 23 0.861 14.139 5.920 1.00 0.47 C ATOM 441 CG GLU A 23 2.331 13.874 6.075 1.00 0.71 C ATOM 442 CD GLU A 23 3.114 15.110 6.455 1.00 0.97 C ATOM 443 OE1 GLU A 23 2.777 15.743 7.477 1.00 1.43 O ATOM 444 OE2 GLU A 23 4.076 15.451 5.740 1.00 1.40 O ATOM 0 H GLU A 23 -1.407 14.768 5.464 1.00 0.44 H new ATOM 0 HA GLU A 23 1.052 16.045 4.929 1.00 0.45 H new ATOM 0 HB2 GLU A 23 0.473 14.547 6.853 1.00 0.47 H new ATOM 0 HB3 GLU A 23 0.346 13.194 5.747 1.00 0.47 H new ATOM 0 HG2 GLU A 23 2.479 13.108 6.836 1.00 0.71 H new ATOM 0 HG3 GLU A 23 2.724 13.474 5.140 1.00 0.71 H new ATOM 451 N LEU A 24 0.425 13.368 3.077 1.00 0.40 N ATOM 452 CA LEU A 24 0.830 12.643 1.878 1.00 0.39 C ATOM 453 C LEU A 24 0.573 13.479 0.622 1.00 0.39 C ATOM 454 O LEU A 24 1.395 13.504 -0.297 1.00 0.41 O ATOM 455 CB LEU A 24 0.066 11.314 1.792 1.00 0.38 C ATOM 456 CG LEU A 24 0.539 10.175 2.720 1.00 0.50 C ATOM 457 CD1 LEU A 24 1.764 9.480 2.171 1.00 1.16 C ATOM 458 CD2 LEU A 24 0.838 10.658 4.123 1.00 1.33 C ATOM 0 H LEU A 24 -0.332 12.921 3.594 1.00 0.40 H new ATOM 0 HA LEU A 24 1.899 12.442 1.940 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -0.984 11.512 2.006 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.120 10.958 0.763 1.00 0.38 H new ATOM 0 HG LEU A 24 -0.290 9.469 2.764 1.00 0.50 H new ATOM 0 HD11 LEU A 24 2.067 8.685 2.852 1.00 1.16 H new ATOM 0 HD12 LEU A 24 1.534 9.054 1.195 1.00 1.16 H new ATOM 0 HD13 LEU A 24 2.576 10.200 2.070 1.00 1.16 H new ATOM 0 HD21 LEU A 24 1.167 9.818 4.735 1.00 1.33 H new ATOM 0 HD22 LEU A 24 1.625 11.411 4.088 1.00 1.33 H new ATOM 0 HD23 LEU A 24 -0.062 11.093 4.558 1.00 1.33 H new ATOM 470 N LEU A 25 -0.570 14.161 0.592 1.00 0.40 N ATOM 471 CA LEU A 25 -0.911 15.049 -0.515 1.00 0.43 C ATOM 472 C LEU A 25 0.099 16.182 -0.632 1.00 0.46 C ATOM 473 O LEU A 25 0.506 16.546 -1.732 1.00 0.48 O ATOM 474 CB LEU A 25 -2.320 15.615 -0.339 1.00 0.45 C ATOM 475 CG LEU A 25 -3.456 14.602 -0.503 1.00 0.49 C ATOM 476 CD1 LEU A 25 -4.804 15.269 -0.284 1.00 1.02 C ATOM 477 CD2 LEU A 25 -3.397 13.957 -1.881 1.00 1.06 C ATOM 0 H LEU A 25 -1.278 14.115 1.325 1.00 0.40 H new ATOM 0 HA LEU A 25 -0.883 14.465 -1.435 1.00 0.43 H new ATOM 0 HB2 LEU A 25 -2.393 16.061 0.653 1.00 0.45 H new ATOM 0 HB3 LEU A 25 -2.464 16.418 -1.062 1.00 0.45 H new ATOM 0 HG LEU A 25 -3.334 13.823 0.249 1.00 0.49 H new ATOM 0 HD11 LEU A 25 -5.598 14.532 -0.405 1.00 1.02 H new ATOM 0 HD12 LEU A 25 -4.845 15.685 0.723 1.00 1.02 H new ATOM 0 HD13 LEU A 25 -4.937 16.069 -1.013 1.00 1.02 H new ATOM 0 HD21 LEU A 25 -4.211 13.239 -1.982 1.00 1.06 H new ATOM 0 HD22 LEU A 25 -3.494 14.726 -2.647 1.00 1.06 H new ATOM 0 HD23 LEU A 25 -2.443 13.443 -2.002 1.00 1.06 H new ATOM 489 N LYS A 26 0.520 16.721 0.509 1.00 0.47 N ATOM 490 CA LYS A 26 1.500 17.797 0.535 1.00 0.51 C ATOM 491 C LYS A 26 2.837 17.289 0.024 1.00 0.49 C ATOM 492 O LYS A 26 3.534 17.980 -0.717 1.00 0.51 O ATOM 493 CB LYS A 26 1.645 18.353 1.954 1.00 0.56 C ATOM 494 CG LYS A 26 2.568 19.559 2.058 1.00 0.93 C ATOM 495 CD LYS A 26 2.113 20.692 1.153 1.00 1.62 C ATOM 496 CE LYS A 26 2.966 21.935 1.348 1.00 2.50 C ATOM 497 NZ LYS A 26 2.811 22.508 2.709 1.00 3.24 N ATOM 0 H LYS A 26 0.195 16.427 1.430 1.00 0.47 H new ATOM 0 HA LYS A 26 1.158 18.603 -0.114 1.00 0.51 H new ATOM 0 HB2 LYS A 26 0.659 18.631 2.326 1.00 0.56 H new ATOM 0 HB3 LYS A 26 2.021 17.564 2.605 1.00 0.56 H new ATOM 0 HG2 LYS A 26 2.598 19.907 3.091 1.00 0.93 H new ATOM 0 HG3 LYS A 26 3.583 19.265 1.791 1.00 0.93 H new ATOM 0 HD2 LYS A 26 2.166 20.372 0.112 1.00 1.62 H new ATOM 0 HD3 LYS A 26 1.070 20.929 1.361 1.00 1.62 H new ATOM 0 HE2 LYS A 26 4.013 21.687 1.176 1.00 2.50 H new ATOM 0 HE3 LYS A 26 2.690 22.684 0.606 1.00 2.50 H new ATOM 0 HZ1 LYS A 26 3.196 23.474 2.725 1.00 3.24 H new ATOM 0 HZ2 LYS A 26 1.803 22.533 2.962 1.00 3.24 H new ATOM 0 HZ3 LYS A 26 3.326 21.919 3.394 1.00 3.24 H new ATOM 511 N MET A 27 3.192 16.081 0.435 1.00 0.47 N ATOM 512 CA MET A 27 4.399 15.428 -0.050 1.00 0.47 C ATOM 513 C MET A 27 4.419 15.333 -1.575 1.00 0.47 C ATOM 514 O MET A 27 5.345 15.827 -2.224 1.00 0.49 O ATOM 515 CB MET A 27 4.510 14.029 0.555 1.00 0.49 C ATOM 516 CG MET A 27 4.771 14.022 2.051 1.00 0.50 C ATOM 517 SD MET A 27 6.525 13.934 2.456 1.00 0.92 S ATOM 518 CE MET A 27 6.926 12.310 1.816 1.00 0.79 C ATOM 0 H MET A 27 2.658 15.530 1.107 1.00 0.47 H new ATOM 0 HA MET A 27 5.251 16.034 0.258 1.00 0.47 H new ATOM 0 HB2 MET A 27 3.588 13.484 0.355 1.00 0.49 H new ATOM 0 HB3 MET A 27 5.314 13.490 0.054 1.00 0.49 H new ATOM 0 HG2 MET A 27 4.346 14.923 2.493 1.00 0.50 H new ATOM 0 HG3 MET A 27 4.256 13.173 2.501 1.00 0.50 H new ATOM 0 HE1 MET A 27 7.736 11.877 2.404 1.00 0.79 H new ATOM 0 HE2 MET A 27 6.048 11.667 1.879 1.00 0.79 H new ATOM 0 HE3 MET A 27 7.239 12.396 0.775 1.00 0.79 H new ATOM 528 N LYS A 28 3.381 14.729 -2.138 1.00 0.45 N ATOM 529 CA LYS A 28 3.271 14.573 -3.583 1.00 0.49 C ATOM 530 C LYS A 28 3.235 15.937 -4.275 1.00 0.54 C ATOM 531 O LYS A 28 3.830 16.130 -5.336 1.00 0.58 O ATOM 532 CB LYS A 28 2.007 13.771 -3.920 1.00 0.50 C ATOM 533 CG LYS A 28 2.011 13.185 -5.328 1.00 0.79 C ATOM 534 CD LYS A 28 1.211 14.025 -6.310 1.00 1.41 C ATOM 535 CE LYS A 28 -0.285 13.861 -6.087 1.00 1.82 C ATOM 536 NZ LYS A 28 -1.087 14.621 -7.082 1.00 2.44 N ATOM 0 H LYS A 28 2.599 14.337 -1.613 1.00 0.45 H new ATOM 0 HA LYS A 28 4.146 14.033 -3.945 1.00 0.49 H new ATOM 0 HB2 LYS A 28 1.898 12.961 -3.199 1.00 0.50 H new ATOM 0 HB3 LYS A 28 1.136 14.417 -3.807 1.00 0.50 H new ATOM 0 HG2 LYS A 28 3.039 13.101 -5.680 1.00 0.79 H new ATOM 0 HG3 LYS A 28 1.600 12.176 -5.299 1.00 0.79 H new ATOM 0 HD2 LYS A 28 1.484 15.075 -6.201 1.00 1.41 H new ATOM 0 HD3 LYS A 28 1.463 13.734 -7.330 1.00 1.41 H new ATOM 0 HE2 LYS A 28 -0.546 12.804 -6.144 1.00 1.82 H new ATOM 0 HE3 LYS A 28 -0.540 14.199 -5.083 1.00 1.82 H new ATOM 0 HZ1 LYS A 28 -2.041 14.211 -7.145 1.00 2.44 H new ATOM 0 HZ2 LYS A 28 -1.156 15.615 -6.785 1.00 2.44 H new ATOM 0 HZ3 LYS A 28 -0.626 14.569 -8.013 1.00 2.44 H new ATOM 550 N LYS A 29 2.548 16.883 -3.643 1.00 0.55 N ATOM 551 CA LYS A 29 2.415 18.240 -4.168 1.00 0.62 C ATOM 552 C LYS A 29 3.752 18.978 -4.204 1.00 0.64 C ATOM 553 O LYS A 29 4.040 19.704 -5.155 1.00 0.72 O ATOM 554 CB LYS A 29 1.408 19.024 -3.323 1.00 0.62 C ATOM 555 CG LYS A 29 1.086 20.405 -3.863 1.00 1.13 C ATOM 556 CD LYS A 29 0.091 21.132 -2.972 1.00 1.57 C ATOM 557 CE LYS A 29 -0.268 22.499 -3.532 1.00 2.08 C ATOM 558 NZ LYS A 29 -0.865 22.404 -4.890 1.00 2.69 N ATOM 0 H LYS A 29 2.069 16.733 -2.755 1.00 0.55 H new ATOM 0 HA LYS A 29 2.058 18.163 -5.195 1.00 0.62 H new ATOM 0 HB2 LYS A 29 0.485 18.449 -3.252 1.00 0.62 H new ATOM 0 HB3 LYS A 29 1.800 19.124 -2.311 1.00 0.62 H new ATOM 0 HG2 LYS A 29 2.003 20.990 -3.940 1.00 1.13 H new ATOM 0 HG3 LYS A 29 0.678 20.317 -4.870 1.00 1.13 H new ATOM 0 HD2 LYS A 29 -0.813 20.531 -2.870 1.00 1.57 H new ATOM 0 HD3 LYS A 29 0.512 21.247 -1.973 1.00 1.57 H new ATOM 0 HE2 LYS A 29 -0.970 22.993 -2.861 1.00 2.08 H new ATOM 0 HE3 LYS A 29 0.626 23.121 -3.572 1.00 2.08 H new ATOM 0 HZ1 LYS A 29 -1.309 23.311 -5.138 1.00 2.69 H new ATOM 0 HZ2 LYS A 29 -0.121 22.182 -5.582 1.00 2.69 H new ATOM 0 HZ3 LYS A 29 -1.584 21.653 -4.901 1.00 2.69 H new ATOM 572 N ASP A 30 4.574 18.786 -3.176 1.00 0.62 N ATOM 573 CA ASP A 30 5.832 19.524 -3.067 1.00 0.66 C ATOM 574 C ASP A 30 6.963 18.855 -3.834 1.00 0.65 C ATOM 575 O ASP A 30 8.113 19.294 -3.799 1.00 0.69 O ATOM 576 CB ASP A 30 6.246 19.708 -1.606 1.00 0.67 C ATOM 577 CG ASP A 30 5.677 20.965 -0.980 1.00 1.33 C ATOM 578 OD1 ASP A 30 5.136 21.820 -1.721 1.00 1.32 O ATOM 579 OD2 ASP A 30 5.778 21.111 0.257 1.00 2.14 O ATOM 0 H ASP A 30 4.396 18.133 -2.413 1.00 0.62 H new ATOM 0 HA ASP A 30 5.649 20.501 -3.514 1.00 0.66 H new ATOM 0 HB2 ASP A 30 5.918 18.842 -1.030 1.00 0.67 H new ATOM 0 HB3 ASP A 30 7.334 19.739 -1.544 1.00 0.67 H new ATOM 584 N GLY A 31 6.614 17.785 -4.527 1.00 0.62 N ATOM 585 CA GLY A 31 7.562 17.150 -5.408 1.00 0.62 C ATOM 586 C GLY A 31 8.398 16.114 -4.703 1.00 0.61 C ATOM 587 O GLY A 31 9.515 15.810 -5.127 1.00 0.63 O ATOM 0 H GLY A 31 5.693 17.347 -4.494 1.00 0.62 H new ATOM 0 HA2 GLY A 31 7.028 16.681 -6.234 1.00 0.62 H new ATOM 0 HA3 GLY A 31 8.216 17.908 -5.840 1.00 0.62 H new ATOM 591 N LYS A 32 7.877 15.593 -3.604 1.00 0.59 N ATOM 592 CA LYS A 32 8.490 14.457 -2.962 1.00 0.58 C ATOM 593 C LYS A 32 8.349 13.267 -3.885 1.00 0.56 C ATOM 594 O LYS A 32 7.355 13.141 -4.606 1.00 0.55 O ATOM 595 CB LYS A 32 7.836 14.155 -1.612 1.00 0.57 C ATOM 596 CG LYS A 32 7.985 15.266 -0.585 1.00 0.63 C ATOM 597 CD LYS A 32 9.437 15.493 -0.197 1.00 0.76 C ATOM 598 CE LYS A 32 9.547 16.522 0.915 1.00 1.15 C ATOM 599 NZ LYS A 32 10.958 16.789 1.301 1.00 1.65 N ATOM 0 H LYS A 32 7.035 15.941 -3.145 1.00 0.59 H new ATOM 0 HA LYS A 32 9.541 14.675 -2.770 1.00 0.58 H new ATOM 0 HB2 LYS A 32 6.775 13.962 -1.770 1.00 0.57 H new ATOM 0 HB3 LYS A 32 8.270 13.241 -1.207 1.00 0.57 H new ATOM 0 HG2 LYS A 32 7.569 16.190 -0.987 1.00 0.63 H new ATOM 0 HG3 LYS A 32 7.407 15.017 0.305 1.00 0.63 H new ATOM 0 HD2 LYS A 32 9.882 14.552 0.127 1.00 0.76 H new ATOM 0 HD3 LYS A 32 10.001 15.830 -1.067 1.00 0.76 H new ATOM 0 HE2 LYS A 32 9.079 17.452 0.593 1.00 1.15 H new ATOM 0 HE3 LYS A 32 8.994 16.172 1.787 1.00 1.15 H new ATOM 0 HZ1 LYS A 32 10.982 17.497 2.062 1.00 1.65 H new ATOM 0 HZ2 LYS A 32 11.400 15.908 1.634 1.00 1.65 H new ATOM 0 HZ3 LYS A 32 11.481 17.149 0.477 1.00 1.65 H new ATOM 613 N ALA A 33 9.338 12.411 -3.877 1.00 0.56 N ATOM 614 CA ALA A 33 9.326 11.241 -4.731 1.00 0.55 C ATOM 615 C ALA A 33 8.284 10.259 -4.253 1.00 0.52 C ATOM 616 O ALA A 33 7.905 10.262 -3.081 1.00 0.50 O ATOM 617 CB ALA A 33 10.683 10.563 -4.783 1.00 0.59 C ATOM 0 H ALA A 33 10.166 12.499 -3.288 1.00 0.56 H new ATOM 0 HA ALA A 33 9.081 11.576 -5.739 1.00 0.55 H new ATOM 0 HB1 ALA A 33 10.629 9.691 -5.434 1.00 0.59 H new ATOM 0 HB2 ALA A 33 11.424 11.261 -5.172 1.00 0.59 H new ATOM 0 HB3 ALA A 33 10.972 10.249 -3.780 1.00 0.59 H new ATOM 623 N LYS A 34 7.822 9.423 -5.156 1.00 0.53 N ATOM 624 CA LYS A 34 6.881 8.380 -4.810 1.00 0.51 C ATOM 625 C LYS A 34 7.474 7.493 -3.720 1.00 0.51 C ATOM 626 O LYS A 34 6.771 7.065 -2.811 1.00 0.48 O ATOM 627 CB LYS A 34 6.536 7.572 -6.053 1.00 0.56 C ATOM 628 CG LYS A 34 7.754 6.961 -6.718 1.00 1.21 C ATOM 629 CD LYS A 34 7.465 6.547 -8.149 1.00 1.64 C ATOM 630 CE LYS A 34 6.171 5.769 -8.246 1.00 2.21 C ATOM 631 NZ LYS A 34 6.185 4.554 -7.394 1.00 2.97 N ATOM 0 H LYS A 34 8.084 9.445 -6.141 1.00 0.53 H new ATOM 0 HA LYS A 34 5.963 8.822 -4.424 1.00 0.51 H new ATOM 0 HB2 LYS A 34 5.840 6.778 -5.782 1.00 0.56 H new ATOM 0 HB3 LYS A 34 6.023 8.216 -6.768 1.00 0.56 H new ATOM 0 HG2 LYS A 34 8.574 7.679 -6.706 1.00 1.21 H new ATOM 0 HG3 LYS A 34 8.083 6.092 -6.147 1.00 1.21 H new ATOM 0 HD2 LYS A 34 7.407 7.433 -8.781 1.00 1.64 H new ATOM 0 HD3 LYS A 34 8.287 5.939 -8.527 1.00 1.64 H new ATOM 0 HE2 LYS A 34 5.340 6.410 -7.950 1.00 2.21 H new ATOM 0 HE3 LYS A 34 5.998 5.482 -9.283 1.00 2.21 H new ATOM 0 HZ1 LYS A 34 5.357 3.965 -7.616 1.00 2.97 H new ATOM 0 HZ2 LYS A 34 7.054 4.013 -7.576 1.00 2.97 H new ATOM 0 HZ3 LYS A 34 6.153 4.832 -6.392 1.00 2.97 H new ATOM 645 N LYS A 35 8.778 7.256 -3.805 1.00 0.54 N ATOM 646 CA LYS A 35 9.487 6.462 -2.813 1.00 0.56 C ATOM 647 C LYS A 35 9.382 7.086 -1.415 1.00 0.53 C ATOM 648 O LYS A 35 9.502 6.392 -0.406 1.00 0.55 O ATOM 649 CB LYS A 35 10.955 6.318 -3.220 1.00 0.61 C ATOM 650 CG LYS A 35 11.752 5.402 -2.310 1.00 1.17 C ATOM 651 CD LYS A 35 11.205 3.986 -2.338 1.00 1.56 C ATOM 652 CE LYS A 35 11.940 3.091 -1.362 1.00 2.18 C ATOM 653 NZ LYS A 35 13.380 2.962 -1.698 1.00 2.82 N ATOM 0 H LYS A 35 9.369 7.607 -4.559 1.00 0.54 H new ATOM 0 HA LYS A 35 9.023 5.476 -2.771 1.00 0.56 H new ATOM 0 HB2 LYS A 35 11.005 5.936 -4.240 1.00 0.61 H new ATOM 0 HB3 LYS A 35 11.420 7.304 -3.226 1.00 0.61 H new ATOM 0 HG2 LYS A 35 12.797 5.397 -2.620 1.00 1.17 H new ATOM 0 HG3 LYS A 35 11.724 5.785 -1.290 1.00 1.17 H new ATOM 0 HD2 LYS A 35 10.143 4.000 -2.093 1.00 1.56 H new ATOM 0 HD3 LYS A 35 11.295 3.579 -3.345 1.00 1.56 H new ATOM 0 HE2 LYS A 35 11.838 3.494 -0.354 1.00 2.18 H new ATOM 0 HE3 LYS A 35 11.479 2.103 -1.359 1.00 2.18 H new ATOM 0 HZ1 LYS A 35 13.807 2.215 -1.114 1.00 2.82 H new ATOM 0 HZ2 LYS A 35 13.481 2.716 -2.703 1.00 2.82 H new ATOM 0 HZ3 LYS A 35 13.862 3.865 -1.512 1.00 2.82 H new ATOM 667 N GLU A 36 9.125 8.388 -1.359 1.00 0.51 N ATOM 668 CA GLU A 36 9.026 9.093 -0.090 1.00 0.50 C ATOM 669 C GLU A 36 7.631 8.918 0.506 1.00 0.44 C ATOM 670 O GLU A 36 7.406 9.002 1.714 1.00 0.45 O ATOM 671 CB GLU A 36 9.357 10.570 -0.281 1.00 0.53 C ATOM 672 CG GLU A 36 10.722 10.779 -0.906 1.00 0.61 C ATOM 673 CD GLU A 36 11.178 12.223 -0.890 1.00 0.68 C ATOM 674 OE1 GLU A 36 11.599 12.710 0.179 1.00 0.85 O ATOM 675 OE2 GLU A 36 11.102 12.879 -1.949 1.00 0.66 O ATOM 0 H GLU A 36 8.982 8.976 -2.180 1.00 0.51 H new ATOM 0 HA GLU A 36 9.748 8.669 0.608 1.00 0.50 H new ATOM 0 HB2 GLU A 36 8.597 11.031 -0.911 1.00 0.53 H new ATOM 0 HB3 GLU A 36 9.321 11.076 0.684 1.00 0.53 H new ATOM 0 HG2 GLU A 36 11.453 10.169 -0.375 1.00 0.61 H new ATOM 0 HG3 GLU A 36 10.699 10.425 -1.937 1.00 0.61 H new ATOM 682 N LEU A 37 6.715 8.639 -0.412 1.00 0.39 N ATOM 683 CA LEU A 37 5.351 8.290 -0.051 1.00 0.36 C ATOM 684 C LEU A 37 5.283 6.825 0.351 1.00 0.36 C ATOM 685 O LEU A 37 4.640 6.463 1.339 1.00 0.35 O ATOM 686 CB LEU A 37 4.424 8.564 -1.231 1.00 0.37 C ATOM 687 CG LEU A 37 4.468 10.000 -1.750 1.00 0.41 C ATOM 688 CD1 LEU A 37 3.807 10.092 -3.110 1.00 1.22 C ATOM 689 CD2 LEU A 37 3.793 10.941 -0.767 1.00 1.01 C ATOM 0 H LEU A 37 6.895 8.648 -1.416 1.00 0.39 H new ATOM 0 HA LEU A 37 5.031 8.898 0.796 1.00 0.36 H new ATOM 0 HB2 LEU A 37 4.684 7.888 -2.046 1.00 0.37 H new ATOM 0 HB3 LEU A 37 3.401 8.329 -0.936 1.00 0.37 H new ATOM 0 HG LEU A 37 5.511 10.298 -1.852 1.00 0.41 H new ATOM 0 HD11 LEU A 37 3.847 11.122 -3.465 1.00 1.22 H new ATOM 0 HD12 LEU A 37 4.331 9.445 -3.814 1.00 1.22 H new ATOM 0 HD13 LEU A 37 2.767 9.776 -3.031 1.00 1.22 H new ATOM 0 HD21 LEU A 37 3.833 11.960 -1.152 1.00 1.01 H new ATOM 0 HD22 LEU A 37 2.753 10.644 -0.635 1.00 1.01 H new ATOM 0 HD23 LEU A 37 4.308 10.895 0.193 1.00 1.01 H new ATOM 701 N GLU A 38 5.987 5.999 -0.417 1.00 0.39 N ATOM 702 CA GLU A 38 6.103 4.569 -0.145 1.00 0.43 C ATOM 703 C GLU A 38 6.766 4.329 1.202 1.00 0.43 C ATOM 704 O GLU A 38 6.599 3.284 1.812 1.00 0.45 O ATOM 705 CB GLU A 38 6.916 3.905 -1.256 1.00 0.57 C ATOM 706 CG GLU A 38 6.222 3.946 -2.607 1.00 1.35 C ATOM 707 CD GLU A 38 7.178 3.799 -3.774 1.00 2.06 C ATOM 708 OE1 GLU A 38 8.194 3.087 -3.617 1.00 2.72 O ATOM 709 OE2 GLU A 38 6.924 4.388 -4.845 1.00 2.49 O ATOM 0 H GLU A 38 6.495 6.303 -1.248 1.00 0.39 H new ATOM 0 HA GLU A 38 5.104 4.134 -0.114 1.00 0.43 H new ATOM 0 HB2 GLU A 38 7.884 4.400 -1.336 1.00 0.57 H new ATOM 0 HB3 GLU A 38 7.111 2.867 -0.985 1.00 0.57 H new ATOM 0 HG2 GLU A 38 5.480 3.149 -2.651 1.00 1.35 H new ATOM 0 HG3 GLU A 38 5.684 4.889 -2.703 1.00 1.35 H new ATOM 716 N ALA A 39 7.495 5.323 1.669 1.00 0.43 N ATOM 717 CA ALA A 39 8.159 5.252 2.955 1.00 0.45 C ATOM 718 C ALA A 39 7.322 5.816 4.090 1.00 0.42 C ATOM 719 O ALA A 39 7.296 5.271 5.193 1.00 0.44 O ATOM 720 CB ALA A 39 9.501 5.963 2.892 1.00 0.49 C ATOM 0 H ALA A 39 7.643 6.200 1.170 1.00 0.43 H new ATOM 0 HA ALA A 39 8.310 4.194 3.171 1.00 0.45 H new ATOM 0 HB1 ALA A 39 9.991 5.903 3.864 1.00 0.49 H new ATOM 0 HB2 ALA A 39 10.130 5.488 2.139 1.00 0.49 H new ATOM 0 HB3 ALA A 39 9.346 7.009 2.628 1.00 0.49 H new ATOM 726 N LYS A 40 6.621 6.906 3.799 1.00 0.39 N ATOM 727 CA LYS A 40 5.731 7.528 4.763 1.00 0.37 C ATOM 728 C LYS A 40 4.597 6.576 5.138 1.00 0.31 C ATOM 729 O LYS A 40 4.306 6.376 6.319 1.00 0.31 O ATOM 730 CB LYS A 40 5.167 8.828 4.183 1.00 0.41 C ATOM 731 CG LYS A 40 4.346 9.637 5.172 1.00 0.79 C ATOM 732 CD LYS A 40 5.186 10.110 6.348 1.00 0.64 C ATOM 733 CE LYS A 40 6.133 11.233 5.957 1.00 0.74 C ATOM 734 NZ LYS A 40 7.001 11.646 7.092 1.00 1.34 N ATOM 0 H LYS A 40 6.655 7.378 2.895 1.00 0.39 H new ATOM 0 HA LYS A 40 6.295 7.758 5.667 1.00 0.37 H new ATOM 0 HB2 LYS A 40 5.992 9.442 3.823 1.00 0.41 H new ATOM 0 HB3 LYS A 40 4.546 8.590 3.319 1.00 0.41 H new ATOM 0 HG2 LYS A 40 3.912 10.499 4.665 1.00 0.79 H new ATOM 0 HG3 LYS A 40 3.517 9.031 5.538 1.00 0.79 H new ATOM 0 HD2 LYS A 40 4.529 10.452 7.148 1.00 0.64 H new ATOM 0 HD3 LYS A 40 5.761 9.272 6.743 1.00 0.64 H new ATOM 0 HE2 LYS A 40 6.755 10.909 5.123 1.00 0.74 H new ATOM 0 HE3 LYS A 40 5.556 12.090 5.610 1.00 0.74 H new ATOM 0 HZ1 LYS A 40 7.632 12.414 6.785 1.00 1.34 H new ATOM 0 HZ2 LYS A 40 6.408 11.979 7.879 1.00 1.34 H new ATOM 0 HZ3 LYS A 40 7.570 10.835 7.407 1.00 1.34 H new ATOM 748 N ILE A 41 3.970 5.980 4.127 1.00 0.29 N ATOM 749 CA ILE A 41 2.870 5.058 4.340 1.00 0.26 C ATOM 750 C ILE A 41 3.335 3.802 5.068 1.00 0.27 C ATOM 751 O ILE A 41 2.678 3.342 5.993 1.00 0.27 O ATOM 752 CB ILE A 41 2.220 4.670 3.003 1.00 0.29 C ATOM 753 CG1 ILE A 41 1.671 5.917 2.314 1.00 0.33 C ATOM 754 CG2 ILE A 41 1.115 3.649 3.220 1.00 0.33 C ATOM 755 CD1 ILE A 41 1.184 5.665 0.909 1.00 0.39 C ATOM 0 H ILE A 41 4.211 6.124 3.147 1.00 0.29 H new ATOM 0 HA ILE A 41 2.133 5.566 4.961 1.00 0.26 H new ATOM 0 HB ILE A 41 2.977 4.217 2.363 1.00 0.29 H new ATOM 0 HG12 ILE A 41 0.850 6.318 2.908 1.00 0.33 H new ATOM 0 HG13 ILE A 41 2.449 6.680 2.289 1.00 0.33 H new ATOM 0 HG21 ILE A 41 0.668 3.388 2.261 1.00 0.33 H new ATOM 0 HG22 ILE A 41 1.532 2.754 3.682 1.00 0.33 H new ATOM 0 HG23 ILE A 41 0.352 4.072 3.873 1.00 0.33 H new ATOM 0 HD11 ILE A 41 0.808 6.595 0.482 1.00 0.39 H new ATOM 0 HD12 ILE A 41 2.008 5.293 0.300 1.00 0.39 H new ATOM 0 HD13 ILE A 41 0.384 4.925 0.929 1.00 0.39 H new ATOM 767 N LEU A 42 4.475 3.260 4.653 1.00 0.31 N ATOM 768 CA LEU A 42 5.017 2.061 5.281 1.00 0.35 C ATOM 769 C LEU A 42 5.389 2.312 6.740 1.00 0.35 C ATOM 770 O LEU A 42 5.282 1.420 7.578 1.00 0.38 O ATOM 771 CB LEU A 42 6.252 1.553 4.525 1.00 0.39 C ATOM 772 CG LEU A 42 5.977 0.847 3.194 1.00 0.40 C ATOM 773 CD1 LEU A 42 7.261 0.284 2.612 1.00 0.45 C ATOM 774 CD2 LEU A 42 4.950 -0.265 3.360 1.00 0.40 C ATOM 0 H LEU A 42 5.039 3.630 3.888 1.00 0.31 H new ATOM 0 HA LEU A 42 4.235 1.303 5.244 1.00 0.35 H new ATOM 0 HB2 LEU A 42 6.912 2.400 4.336 1.00 0.39 H new ATOM 0 HB3 LEU A 42 6.794 0.865 5.174 1.00 0.39 H new ATOM 0 HG LEU A 42 5.571 1.588 2.506 1.00 0.40 H new ATOM 0 HD11 LEU A 42 7.044 -0.214 1.667 1.00 0.45 H new ATOM 0 HD12 LEU A 42 7.969 1.095 2.441 1.00 0.45 H new ATOM 0 HD13 LEU A 42 7.692 -0.434 3.309 1.00 0.45 H new ATOM 0 HD21 LEU A 42 4.777 -0.747 2.398 1.00 0.40 H new ATOM 0 HD22 LEU A 42 5.323 -1.001 4.072 1.00 0.40 H new ATOM 0 HD23 LEU A 42 4.015 0.156 3.729 1.00 0.40 H new ATOM 786 N HIS A 43 5.817 3.535 7.034 1.00 0.35 N ATOM 787 CA HIS A 43 6.080 3.931 8.415 1.00 0.37 C ATOM 788 C HIS A 43 4.776 3.982 9.217 1.00 0.35 C ATOM 789 O HIS A 43 4.710 3.441 10.317 1.00 0.40 O ATOM 790 CB HIS A 43 6.793 5.287 8.468 1.00 0.40 C ATOM 791 CG HIS A 43 7.256 5.669 9.841 1.00 0.49 C ATOM 792 ND1 HIS A 43 7.081 6.926 10.378 1.00 1.17 N ATOM 793 CD2 HIS A 43 7.905 4.947 10.787 1.00 1.23 C ATOM 794 CE1 HIS A 43 7.604 6.959 11.591 1.00 0.93 C ATOM 795 NE2 HIS A 43 8.107 5.773 11.861 1.00 0.92 N ATOM 0 H HIS A 43 5.988 4.265 6.342 1.00 0.35 H new ATOM 0 HA HIS A 43 6.735 3.183 8.863 1.00 0.37 H new ATOM 0 HB2 HIS A 43 7.652 5.263 7.798 1.00 0.40 H new ATOM 0 HB3 HIS A 43 6.119 6.057 8.094 1.00 0.40 H new ATOM 0 HD2 HIS A 43 8.207 3.913 10.709 1.00 1.23 H new ATOM 0 HE1 HIS A 43 7.617 7.815 12.250 1.00 0.93 H new ATOM 0 HE2 HIS A 43 8.572 5.511 12.730 1.00 0.92 H new ATOM 804 N TYR A 44 3.745 4.627 8.662 1.00 0.30 N ATOM 805 CA TYR A 44 2.429 4.662 9.306 1.00 0.30 C ATOM 806 C TYR A 44 1.900 3.252 9.503 1.00 0.32 C ATOM 807 O TYR A 44 1.411 2.897 10.575 1.00 0.40 O ATOM 808 CB TYR A 44 1.428 5.451 8.460 1.00 0.31 C ATOM 809 CG TYR A 44 1.720 6.923 8.375 1.00 0.35 C ATOM 810 CD1 TYR A 44 2.370 7.578 9.407 1.00 0.42 C ATOM 811 CD2 TYR A 44 1.362 7.656 7.252 1.00 0.40 C ATOM 812 CE1 TYR A 44 2.651 8.924 9.330 1.00 0.52 C ATOM 813 CE2 TYR A 44 1.640 8.999 7.162 1.00 0.50 C ATOM 814 CZ TYR A 44 2.226 9.646 8.228 1.00 0.58 C ATOM 815 OH TYR A 44 2.566 10.978 8.115 1.00 0.68 O ATOM 0 H TYR A 44 3.795 5.128 7.775 1.00 0.30 H new ATOM 0 HA TYR A 44 2.546 5.151 10.273 1.00 0.30 H new ATOM 0 HB2 TYR A 44 1.414 5.036 7.452 1.00 0.31 H new ATOM 0 HB3 TYR A 44 0.430 5.313 8.875 1.00 0.31 H new ATOM 0 HD1 TYR A 44 2.662 7.024 10.287 1.00 0.42 H new ATOM 0 HD2 TYR A 44 0.856 7.163 6.435 1.00 0.40 H new ATOM 0 HE1 TYR A 44 3.198 9.412 10.123 1.00 0.52 H new ATOM 0 HE2 TYR A 44 1.400 9.544 6.261 1.00 0.50 H new ATOM 0 HH TYR A 44 3.285 11.187 8.747 1.00 0.68 H new ATOM 825 N TYR A 45 2.009 2.466 8.442 1.00 0.30 N ATOM 826 CA TYR A 45 1.590 1.080 8.429 1.00 0.33 C ATOM 827 C TYR A 45 2.220 0.308 9.586 1.00 0.40 C ATOM 828 O TYR A 45 1.541 -0.404 10.327 1.00 0.42 O ATOM 829 CB TYR A 45 1.996 0.464 7.085 1.00 0.35 C ATOM 830 CG TYR A 45 1.786 -1.015 6.987 1.00 0.40 C ATOM 831 CD1 TYR A 45 0.508 -1.538 7.032 1.00 0.41 C ATOM 832 CD2 TYR A 45 2.853 -1.883 6.844 1.00 0.49 C ATOM 833 CE1 TYR A 45 0.292 -2.892 6.934 1.00 0.46 C ATOM 834 CE2 TYR A 45 2.648 -3.241 6.749 1.00 0.54 C ATOM 835 CZ TYR A 45 1.432 -3.755 6.820 1.00 0.53 C ATOM 836 OH TYR A 45 1.146 -5.098 6.674 1.00 0.58 O ATOM 0 H TYR A 45 2.398 2.782 7.554 1.00 0.30 H new ATOM 0 HA TYR A 45 0.508 1.024 8.552 1.00 0.33 H new ATOM 0 HB2 TYR A 45 1.430 0.951 6.291 1.00 0.35 H new ATOM 0 HB3 TYR A 45 3.049 0.681 6.904 1.00 0.35 H new ATOM 0 HD1 TYR A 45 -0.335 -0.872 7.146 1.00 0.41 H new ATOM 0 HD2 TYR A 45 3.859 -1.491 6.806 1.00 0.49 H new ATOM 0 HE1 TYR A 45 -0.710 -3.295 6.943 1.00 0.46 H new ATOM 0 HE2 TYR A 45 3.495 -3.898 6.614 1.00 0.54 H new ATOM 0 HH TYR A 45 0.246 -5.280 7.016 1.00 0.58 H new ATOM 846 N ASP A 46 3.516 0.477 9.756 1.00 0.43 N ATOM 847 CA ASP A 46 4.245 -0.268 10.766 1.00 0.51 C ATOM 848 C ASP A 46 3.943 0.226 12.180 1.00 0.53 C ATOM 849 O ASP A 46 4.202 -0.485 13.151 1.00 0.60 O ATOM 850 CB ASP A 46 5.748 -0.221 10.482 1.00 0.58 C ATOM 851 CG ASP A 46 6.273 -1.509 9.873 1.00 0.90 C ATOM 852 OD1 ASP A 46 5.869 -1.858 8.743 1.00 1.20 O ATOM 853 OD2 ASP A 46 7.112 -2.174 10.519 1.00 1.14 O ATOM 0 H ASP A 46 4.086 1.122 9.209 1.00 0.43 H new ATOM 0 HA ASP A 46 3.908 -1.303 10.714 1.00 0.51 H new ATOM 0 HB2 ASP A 46 5.960 0.608 9.806 1.00 0.58 H new ATOM 0 HB3 ASP A 46 6.282 -0.019 11.410 1.00 0.58 H new ATOM 858 N GLU A 47 3.388 1.428 12.318 1.00 0.49 N ATOM 859 CA GLU A 47 3.056 1.970 13.629 1.00 0.51 C ATOM 860 C GLU A 47 1.581 1.740 13.978 1.00 0.49 C ATOM 861 O GLU A 47 1.058 2.342 14.919 1.00 0.58 O ATOM 862 CB GLU A 47 3.356 3.469 13.676 1.00 0.53 C ATOM 863 CG GLU A 47 4.827 3.811 13.508 1.00 1.21 C ATOM 864 CD GLU A 47 5.119 5.266 13.814 1.00 1.73 C ATOM 865 OE1 GLU A 47 4.826 6.126 12.955 1.00 2.22 O ATOM 866 OE2 GLU A 47 5.651 5.557 14.903 1.00 2.21 O ATOM 0 H GLU A 47 3.160 2.043 11.537 1.00 0.49 H new ATOM 0 HA GLU A 47 3.671 1.447 14.362 1.00 0.51 H new ATOM 0 HB2 GLU A 47 2.786 3.968 12.892 1.00 0.53 H new ATOM 0 HB3 GLU A 47 3.007 3.869 14.628 1.00 0.53 H new ATOM 0 HG2 GLU A 47 5.422 3.177 14.166 1.00 1.21 H new ATOM 0 HG3 GLU A 47 5.135 3.588 12.486 1.00 1.21 H new ATOM 873 N LEU A 48 0.908 0.886 13.208 1.00 0.44 N ATOM 874 CA LEU A 48 -0.513 0.626 13.393 1.00 0.46 C ATOM 875 C LEU A 48 -0.821 -0.170 14.669 1.00 0.69 C ATOM 876 O LEU A 48 0.010 -0.297 15.570 1.00 1.11 O ATOM 877 CB LEU A 48 -1.037 -0.089 12.141 1.00 0.37 C ATOM 878 CG LEU A 48 -1.161 0.805 10.914 1.00 0.36 C ATOM 879 CD1 LEU A 48 -1.650 0.005 9.726 1.00 0.44 C ATOM 880 CD2 LEU A 48 -2.105 1.958 11.204 1.00 0.47 C ATOM 0 H LEU A 48 1.332 0.360 12.444 1.00 0.44 H new ATOM 0 HA LEU A 48 -1.025 1.579 13.525 1.00 0.46 H new ATOM 0 HB2 LEU A 48 -0.371 -0.919 11.905 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -2.014 -0.518 12.364 1.00 0.37 H new ATOM 0 HG LEU A 48 -0.178 1.210 10.673 1.00 0.36 H new ATOM 0 HD11 LEU A 48 -1.733 0.658 8.857 1.00 0.44 H new ATOM 0 HD12 LEU A 48 -0.943 -0.796 9.511 1.00 0.44 H new ATOM 0 HD13 LEU A 48 -2.626 -0.424 9.953 1.00 0.44 H new ATOM 0 HD21 LEU A 48 -2.187 2.592 10.321 1.00 0.47 H new ATOM 0 HD22 LEU A 48 -3.089 1.567 11.463 1.00 0.47 H new ATOM 0 HD23 LEU A 48 -1.718 2.545 12.037 1.00 0.47 H new ATOM 892 N GLU A 49 -2.028 -0.716 14.707 1.00 0.61 N ATOM 893 CA GLU A 49 -2.574 -1.378 15.888 1.00 0.86 C ATOM 894 C GLU A 49 -3.135 -2.742 15.489 1.00 0.61 C ATOM 895 O GLU A 49 -2.854 -3.218 14.401 1.00 1.16 O ATOM 896 CB GLU A 49 -3.675 -0.526 16.528 1.00 1.42 C ATOM 897 CG GLU A 49 -3.229 0.879 16.903 1.00 1.33 C ATOM 898 CD GLU A 49 -4.259 1.608 17.737 1.00 2.01 C ATOM 899 OE1 GLU A 49 -5.317 1.987 17.192 1.00 2.83 O ATOM 900 OE2 GLU A 49 -4.023 1.794 18.951 1.00 2.19 O ATOM 0 H GLU A 49 -2.665 -0.713 13.910 1.00 0.61 H new ATOM 0 HA GLU A 49 -1.776 -1.509 16.619 1.00 0.86 H new ATOM 0 HB2 GLU A 49 -4.515 -0.457 15.837 1.00 1.42 H new ATOM 0 HB3 GLU A 49 -4.038 -1.032 17.422 1.00 1.42 H new ATOM 0 HG2 GLU A 49 -2.291 0.824 17.456 1.00 1.33 H new ATOM 0 HG3 GLU A 49 -3.031 1.449 15.995 1.00 1.33 H new ATOM 907 N GLY A 50 -3.940 -3.348 16.357 1.00 0.74 N ATOM 908 CA GLY A 50 -4.446 -4.697 16.107 1.00 0.61 C ATOM 909 C GLY A 50 -5.242 -4.827 14.815 1.00 0.54 C ATOM 910 O GLY A 50 -4.727 -5.313 13.803 1.00 0.54 O ATOM 0 H GLY A 50 -4.255 -2.932 17.233 1.00 0.74 H new ATOM 0 HA2 GLY A 50 -3.605 -5.390 16.076 1.00 0.61 H new ATOM 0 HA3 GLY A 50 -5.077 -4.999 16.943 1.00 0.61 H new ATOM 914 N ASP A 51 -6.501 -4.410 14.844 1.00 0.54 N ATOM 915 CA ASP A 51 -7.363 -4.493 13.663 1.00 0.52 C ATOM 916 C ASP A 51 -6.934 -3.462 12.636 1.00 0.46 C ATOM 917 O ASP A 51 -7.151 -3.651 11.443 1.00 0.46 O ATOM 918 CB ASP A 51 -8.829 -4.275 14.053 1.00 0.58 C ATOM 919 CG ASP A 51 -9.788 -4.629 12.935 1.00 1.53 C ATOM 920 OD1 ASP A 51 -10.061 -5.833 12.745 1.00 2.06 O ATOM 921 OD2 ASP A 51 -10.292 -3.715 12.254 1.00 2.37 O ATOM 0 H ASP A 51 -6.951 -4.011 15.668 1.00 0.54 H new ATOM 0 HA ASP A 51 -7.267 -5.488 13.228 1.00 0.52 H new ATOM 0 HB2 ASP A 51 -9.061 -4.878 14.931 1.00 0.58 H new ATOM 0 HB3 ASP A 51 -8.975 -3.232 14.335 1.00 0.58 H new ATOM 926 N ALA A 52 -6.304 -2.388 13.092 1.00 0.43 N ATOM 927 CA ALA A 52 -5.857 -1.341 12.185 1.00 0.41 C ATOM 928 C ALA A 52 -4.827 -1.901 11.219 1.00 0.40 C ATOM 929 O ALA A 52 -4.883 -1.661 10.017 1.00 0.40 O ATOM 930 CB ALA A 52 -5.299 -0.154 12.953 1.00 0.42 C ATOM 0 H ALA A 52 -6.093 -2.220 14.076 1.00 0.43 H new ATOM 0 HA ALA A 52 -6.714 -0.985 11.613 1.00 0.41 H new ATOM 0 HB1 ALA A 52 -4.973 0.613 12.251 1.00 0.42 H new ATOM 0 HB2 ALA A 52 -6.072 0.255 13.603 1.00 0.42 H new ATOM 0 HB3 ALA A 52 -4.451 -0.477 13.557 1.00 0.42 H new ATOM 936 N LYS A 53 -3.862 -2.634 11.773 1.00 0.40 N ATOM 937 CA LYS A 53 -2.813 -3.247 10.977 1.00 0.41 C ATOM 938 C LYS A 53 -3.442 -4.143 9.934 1.00 0.41 C ATOM 939 O LYS A 53 -3.226 -3.959 8.742 1.00 0.40 O ATOM 940 CB LYS A 53 -1.880 -4.078 11.850 1.00 0.47 C ATOM 941 CG LYS A 53 -0.622 -4.533 11.139 1.00 0.52 C ATOM 942 CD LYS A 53 0.342 -3.378 10.923 1.00 0.94 C ATOM 943 CE LYS A 53 1.649 -3.843 10.301 1.00 0.83 C ATOM 944 NZ LYS A 53 2.357 -4.838 11.150 1.00 1.62 N ATOM 0 H LYS A 53 -3.790 -2.815 12.774 1.00 0.40 H new ATOM 0 HA LYS A 53 -2.232 -2.457 10.501 1.00 0.41 H new ATOM 0 HB2 LYS A 53 -1.600 -3.493 12.726 1.00 0.47 H new ATOM 0 HB3 LYS A 53 -2.419 -4.954 12.211 1.00 0.47 H new ATOM 0 HG2 LYS A 53 -0.133 -5.312 11.724 1.00 0.52 H new ATOM 0 HG3 LYS A 53 -0.885 -4.974 10.178 1.00 0.52 H new ATOM 0 HD2 LYS A 53 -0.123 -2.632 10.278 1.00 0.94 H new ATOM 0 HD3 LYS A 53 0.546 -2.891 11.877 1.00 0.94 H new ATOM 0 HE2 LYS A 53 1.448 -4.281 9.323 1.00 0.83 H new ATOM 0 HE3 LYS A 53 2.297 -2.982 10.137 1.00 0.83 H new ATOM 0 HZ1 LYS A 53 3.345 -4.922 10.836 1.00 1.62 H new ATOM 0 HZ2 LYS A 53 2.335 -4.526 12.142 1.00 1.62 H new ATOM 0 HZ3 LYS A 53 1.887 -5.762 11.067 1.00 1.62 H new ATOM 958 N LYS A 54 -4.225 -5.101 10.410 1.00 0.44 N ATOM 959 CA LYS A 54 -4.903 -6.043 9.541 1.00 0.47 C ATOM 960 C LYS A 54 -5.720 -5.312 8.474 1.00 0.44 C ATOM 961 O LYS A 54 -5.622 -5.638 7.294 1.00 0.46 O ATOM 962 CB LYS A 54 -5.772 -6.994 10.363 1.00 0.52 C ATOM 963 CG LYS A 54 -7.269 -6.847 10.154 1.00 0.99 C ATOM 964 CD LYS A 54 -7.984 -8.086 10.640 1.00 0.97 C ATOM 965 CE LYS A 54 -9.478 -8.030 10.366 1.00 1.74 C ATOM 966 NZ LYS A 54 -9.797 -8.182 8.920 1.00 2.49 N ATOM 0 H LYS A 54 -4.405 -5.244 11.404 1.00 0.44 H new ATOM 0 HA LYS A 54 -4.153 -6.640 9.022 1.00 0.47 H new ATOM 0 HB2 LYS A 54 -5.487 -8.019 10.124 1.00 0.52 H new ATOM 0 HB3 LYS A 54 -5.552 -6.840 11.419 1.00 0.52 H new ATOM 0 HG2 LYS A 54 -7.635 -5.972 10.691 1.00 0.99 H new ATOM 0 HG3 LYS A 54 -7.483 -6.685 9.097 1.00 0.99 H new ATOM 0 HD2 LYS A 54 -7.559 -8.964 10.152 1.00 0.97 H new ATOM 0 HD3 LYS A 54 -7.817 -8.204 11.711 1.00 0.97 H new ATOM 0 HE2 LYS A 54 -9.978 -8.818 10.930 1.00 1.74 H new ATOM 0 HE3 LYS A 54 -9.875 -7.080 10.725 1.00 1.74 H new ATOM 0 HZ1 LYS A 54 -10.829 -8.205 8.793 1.00 2.49 H new ATOM 0 HZ2 LYS A 54 -9.401 -7.379 8.391 1.00 2.49 H new ATOM 0 HZ3 LYS A 54 -9.385 -9.068 8.565 1.00 2.49 H new ATOM 980 N GLU A 55 -6.487 -4.295 8.882 1.00 0.42 N ATOM 981 CA GLU A 55 -7.367 -3.599 7.965 1.00 0.41 C ATOM 982 C GLU A 55 -6.537 -2.854 6.930 1.00 0.39 C ATOM 983 O GLU A 55 -6.819 -2.944 5.736 1.00 0.41 O ATOM 984 CB GLU A 55 -8.293 -2.642 8.747 1.00 0.42 C ATOM 985 CG GLU A 55 -7.700 -1.277 9.040 1.00 0.89 C ATOM 986 CD GLU A 55 -8.719 -0.309 9.596 1.00 1.39 C ATOM 987 OE1 GLU A 55 -9.571 0.170 8.821 1.00 1.34 O ATOM 988 OE2 GLU A 55 -8.675 -0.017 10.812 1.00 2.27 O ATOM 0 H GLU A 55 -6.509 -3.944 9.839 1.00 0.42 H new ATOM 0 HA GLU A 55 -7.998 -4.317 7.441 1.00 0.41 H new ATOM 0 HB2 GLU A 55 -9.214 -2.508 8.180 1.00 0.42 H new ATOM 0 HB3 GLU A 55 -8.565 -3.114 9.691 1.00 0.42 H new ATOM 0 HG2 GLU A 55 -6.881 -1.386 9.751 1.00 0.89 H new ATOM 0 HG3 GLU A 55 -7.275 -0.865 8.125 1.00 0.89 H new ATOM 995 N ALA A 56 -5.517 -2.133 7.368 1.00 0.36 N ATOM 996 CA ALA A 56 -4.664 -1.431 6.438 1.00 0.34 C ATOM 997 C ALA A 56 -3.989 -2.423 5.510 1.00 0.36 C ATOM 998 O ALA A 56 -4.027 -2.264 4.299 1.00 0.37 O ATOM 999 CB ALA A 56 -3.639 -0.582 7.166 1.00 0.31 C ATOM 0 H ALA A 56 -5.266 -2.022 8.350 1.00 0.36 H new ATOM 0 HA ALA A 56 -5.280 -0.757 5.843 1.00 0.34 H new ATOM 0 HB1 ALA A 56 -3.012 -0.066 6.439 1.00 0.31 H new ATOM 0 HB2 ALA A 56 -4.151 0.151 7.789 1.00 0.31 H new ATOM 0 HB3 ALA A 56 -3.017 -1.221 7.793 1.00 0.31 H new ATOM 1005 N THR A 57 -3.381 -3.446 6.091 1.00 0.38 N ATOM 1006 CA THR A 57 -2.715 -4.487 5.324 1.00 0.41 C ATOM 1007 C THR A 57 -3.601 -5.034 4.208 1.00 0.44 C ATOM 1008 O THR A 57 -3.187 -5.162 3.059 1.00 0.45 O ATOM 1009 CB THR A 57 -2.295 -5.661 6.231 1.00 0.45 C ATOM 1010 OG1 THR A 57 -1.473 -5.191 7.299 1.00 0.43 O ATOM 1011 CG2 THR A 57 -1.537 -6.712 5.444 1.00 0.51 C ATOM 0 H THR A 57 -3.335 -3.578 7.101 1.00 0.38 H new ATOM 0 HA THR A 57 -1.834 -4.022 4.882 1.00 0.41 H new ATOM 0 HB THR A 57 -3.202 -6.110 6.636 1.00 0.45 H new ATOM 0 HG1 THR A 57 -2.033 -4.982 8.075 1.00 0.43 H new ATOM 0 HG21 THR A 57 -1.253 -7.529 6.108 1.00 0.51 H new ATOM 0 HG22 THR A 57 -2.172 -7.097 4.646 1.00 0.51 H new ATOM 0 HG23 THR A 57 -0.641 -6.267 5.012 1.00 0.51 H new ATOM 1019 N GLU A 58 -4.854 -5.306 4.578 1.00 0.45 N ATOM 1020 CA GLU A 58 -5.872 -5.777 3.647 1.00 0.49 C ATOM 1021 C GLU A 58 -6.184 -4.725 2.579 1.00 0.48 C ATOM 1022 O GLU A 58 -6.505 -5.061 1.439 1.00 0.53 O ATOM 1023 CB GLU A 58 -7.144 -6.148 4.417 1.00 0.52 C ATOM 1024 CG GLU A 58 -7.022 -7.430 5.217 1.00 0.78 C ATOM 1025 CD GLU A 58 -8.278 -7.729 6.001 1.00 1.14 C ATOM 1026 OE1 GLU A 58 -8.570 -6.996 6.970 1.00 1.71 O ATOM 1027 OE2 GLU A 58 -8.978 -8.704 5.664 1.00 1.37 O ATOM 0 H GLU A 58 -5.189 -5.204 5.536 1.00 0.45 H new ATOM 0 HA GLU A 58 -5.486 -6.660 3.137 1.00 0.49 H new ATOM 0 HB2 GLU A 58 -7.400 -5.332 5.093 1.00 0.52 H new ATOM 0 HB3 GLU A 58 -7.969 -6.248 3.711 1.00 0.52 H new ATOM 0 HG2 GLU A 58 -6.809 -8.259 4.543 1.00 0.78 H new ATOM 0 HG3 GLU A 58 -6.177 -7.351 5.901 1.00 0.78 H new ATOM 1034 N HIS A 59 -6.067 -3.452 2.942 1.00 0.43 N ATOM 1035 CA HIS A 59 -6.355 -2.367 2.012 1.00 0.43 C ATOM 1036 C HIS A 59 -5.202 -2.215 1.031 1.00 0.42 C ATOM 1037 O HIS A 59 -5.407 -2.115 -0.181 1.00 0.44 O ATOM 1038 CB HIS A 59 -6.586 -1.049 2.755 1.00 0.40 C ATOM 1039 CG HIS A 59 -7.852 -0.997 3.558 1.00 0.48 C ATOM 1040 ND1 HIS A 59 -9.020 -1.614 3.174 1.00 0.72 N ATOM 1041 CD2 HIS A 59 -8.123 -0.394 4.740 1.00 0.42 C ATOM 1042 CE1 HIS A 59 -9.952 -1.394 4.079 1.00 0.77 C ATOM 1043 NE2 HIS A 59 -9.435 -0.656 5.042 1.00 0.57 N ATOM 0 H HIS A 59 -5.776 -3.147 3.871 1.00 0.43 H new ATOM 0 HA HIS A 59 -7.268 -2.613 1.469 1.00 0.43 H new ATOM 0 HB2 HIS A 59 -5.742 -0.870 3.421 1.00 0.40 H new ATOM 0 HB3 HIS A 59 -6.598 -0.236 2.029 1.00 0.40 H new ATOM 0 HD2 HIS A 59 -7.433 0.186 5.335 1.00 0.42 H new ATOM 0 HE1 HIS A 59 -10.968 -1.757 4.039 1.00 0.77 H new ATOM 0 HE2 HIS A 59 -9.929 -0.333 5.874 1.00 0.57 H new ATOM 1052 N LEU A 60 -3.989 -2.172 1.571 1.00 0.40 N ATOM 1053 CA LEU A 60 -2.785 -2.174 0.778 1.00 0.40 C ATOM 1054 C LEU A 60 -2.708 -3.406 -0.124 1.00 0.43 C ATOM 1055 O LEU A 60 -2.186 -3.322 -1.237 1.00 0.43 O ATOM 1056 CB LEU A 60 -1.566 -2.097 1.693 1.00 0.39 C ATOM 1057 CG LEU A 60 -1.273 -0.699 2.229 1.00 0.38 C ATOM 1058 CD1 LEU A 60 -2.362 -0.201 3.145 1.00 0.62 C ATOM 1059 CD2 LEU A 60 0.083 -0.653 2.916 1.00 0.59 C ATOM 0 H LEU A 60 -3.822 -2.135 2.577 1.00 0.40 H new ATOM 0 HA LEU A 60 -2.801 -1.299 0.128 1.00 0.40 H new ATOM 0 HB2 LEU A 60 -1.715 -2.773 2.535 1.00 0.39 H new ATOM 0 HB3 LEU A 60 -0.693 -2.455 1.147 1.00 0.39 H new ATOM 0 HG LEU A 60 -1.245 -0.026 1.372 1.00 0.38 H new ATOM 0 HD11 LEU A 60 -2.109 0.798 3.501 1.00 0.62 H new ATOM 0 HD12 LEU A 60 -3.306 -0.164 2.601 1.00 0.62 H new ATOM 0 HD13 LEU A 60 -2.459 -0.876 3.995 1.00 0.62 H new ATOM 0 HD21 LEU A 60 0.268 0.354 3.289 1.00 0.59 H new ATOM 0 HD22 LEU A 60 0.093 -1.356 3.749 1.00 0.59 H new ATOM 0 HD23 LEU A 60 0.862 -0.924 2.203 1.00 0.59 H new ATOM 1071 N LYS A 61 -3.231 -4.542 0.349 1.00 0.46 N ATOM 1072 CA LYS A 61 -3.298 -5.745 -0.479 1.00 0.50 C ATOM 1073 C LYS A 61 -4.085 -5.450 -1.741 1.00 0.53 C ATOM 1074 O LYS A 61 -3.582 -5.626 -2.848 1.00 0.56 O ATOM 1075 CB LYS A 61 -3.952 -6.916 0.267 1.00 0.51 C ATOM 1076 CG LYS A 61 -3.053 -7.587 1.295 1.00 0.57 C ATOM 1077 CD LYS A 61 -3.735 -8.795 1.922 1.00 0.57 C ATOM 1078 CE LYS A 61 -2.861 -9.450 2.979 1.00 0.59 C ATOM 1079 NZ LYS A 61 -3.491 -10.667 3.554 1.00 0.67 N ATOM 0 H LYS A 61 -3.609 -4.651 1.290 1.00 0.46 H new ATOM 0 HA LYS A 61 -2.277 -6.034 -0.729 1.00 0.50 H new ATOM 0 HB2 LYS A 61 -4.850 -6.555 0.768 1.00 0.51 H new ATOM 0 HB3 LYS A 61 -4.271 -7.662 -0.461 1.00 0.51 H new ATOM 0 HG2 LYS A 61 -2.123 -7.898 0.820 1.00 0.57 H new ATOM 0 HG3 LYS A 61 -2.789 -6.871 2.073 1.00 0.57 H new ATOM 0 HD2 LYS A 61 -4.679 -8.487 2.371 1.00 0.57 H new ATOM 0 HD3 LYS A 61 -3.973 -9.522 1.145 1.00 0.57 H new ATOM 0 HE2 LYS A 61 -1.899 -9.714 2.540 1.00 0.59 H new ATOM 0 HE3 LYS A 61 -2.661 -8.735 3.777 1.00 0.59 H new ATOM 0 HZ1 LYS A 61 -2.859 -11.080 4.270 1.00 0.67 H new ATOM 0 HZ2 LYS A 61 -4.397 -10.413 3.997 1.00 0.67 H new ATOM 0 HZ3 LYS A 61 -3.658 -11.362 2.798 1.00 0.67 H new ATOM 1093 N GLY A 62 -5.322 -4.997 -1.563 1.00 0.53 N ATOM 1094 CA GLY A 62 -6.149 -4.610 -2.685 1.00 0.56 C ATOM 1095 C GLY A 62 -5.473 -3.576 -3.565 1.00 0.55 C ATOM 1096 O GLY A 62 -5.557 -3.650 -4.783 1.00 0.59 O ATOM 0 H GLY A 62 -5.767 -4.891 -0.651 1.00 0.53 H new ATOM 0 HA2 GLY A 62 -6.387 -5.492 -3.280 1.00 0.56 H new ATOM 0 HA3 GLY A 62 -7.094 -4.210 -2.317 1.00 0.56 H new ATOM 1100 N GLY A 63 -4.806 -2.605 -2.941 1.00 0.50 N ATOM 1101 CA GLY A 63 -4.048 -1.616 -3.693 1.00 0.49 C ATOM 1102 C GLY A 63 -3.033 -2.250 -4.625 1.00 0.49 C ATOM 1103 O GLY A 63 -2.984 -1.934 -5.815 1.00 0.50 O ATOM 0 H GLY A 63 -4.777 -2.486 -1.928 1.00 0.50 H new ATOM 0 HA2 GLY A 63 -4.735 -1.000 -4.274 1.00 0.49 H new ATOM 0 HA3 GLY A 63 -3.534 -0.952 -2.999 1.00 0.49 H new ATOM 1107 N CYS A 64 -2.237 -3.160 -4.085 1.00 0.51 N ATOM 1108 CA CYS A 64 -1.253 -3.881 -4.878 1.00 0.55 C ATOM 1109 C CYS A 64 -1.947 -4.801 -5.880 1.00 0.56 C ATOM 1110 O CYS A 64 -1.457 -5.016 -6.987 1.00 0.56 O ATOM 1111 CB CYS A 64 -0.327 -4.681 -3.961 1.00 0.68 C ATOM 1112 SG CYS A 64 0.903 -5.700 -4.836 1.00 1.13 S ATOM 0 H CYS A 64 -2.253 -3.417 -3.098 1.00 0.51 H new ATOM 0 HA CYS A 64 -0.653 -3.162 -5.436 1.00 0.55 H new ATOM 0 HB2 CYS A 64 0.196 -3.989 -3.300 1.00 0.68 H new ATOM 0 HB3 CYS A 64 -0.934 -5.329 -3.328 1.00 0.68 H new ATOM 1117 N ARG A 65 -3.103 -5.326 -5.485 1.00 0.62 N ATOM 1118 CA ARG A 65 -3.919 -6.158 -6.360 1.00 0.67 C ATOM 1119 C ARG A 65 -4.365 -5.361 -7.584 1.00 0.65 C ATOM 1120 O ARG A 65 -4.392 -5.883 -8.694 1.00 0.79 O ATOM 1121 CB ARG A 65 -5.129 -6.702 -5.578 1.00 0.76 C ATOM 1122 CG ARG A 65 -6.043 -7.637 -6.364 1.00 0.86 C ATOM 1123 CD ARG A 65 -7.094 -6.872 -7.154 1.00 1.49 C ATOM 1124 NE ARG A 65 -8.002 -7.766 -7.866 1.00 2.07 N ATOM 1125 CZ ARG A 65 -9.032 -7.355 -8.604 1.00 2.91 C ATOM 1126 NH1 ARG A 65 -9.308 -6.059 -8.705 1.00 3.31 N ATOM 1127 NH2 ARG A 65 -9.790 -8.242 -9.234 1.00 3.80 N ATOM 0 H ARG A 65 -3.498 -5.187 -4.555 1.00 0.62 H new ATOM 0 HA ARG A 65 -3.327 -7.003 -6.711 1.00 0.67 H new ATOM 0 HB2 ARG A 65 -4.764 -7.232 -4.698 1.00 0.76 H new ATOM 0 HB3 ARG A 65 -5.719 -5.858 -5.221 1.00 0.76 H new ATOM 0 HG2 ARG A 65 -5.444 -8.241 -7.046 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -6.535 -8.325 -5.677 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -7.666 -6.238 -6.477 1.00 1.49 H new ATOM 0 HD3 ARG A 65 -6.601 -6.212 -7.868 1.00 1.49 H new ATOM 0 HE ARG A 65 -7.837 -8.770 -7.794 1.00 2.07 H new ATOM 0 HH11 ARG A 65 -8.730 -5.375 -8.216 1.00 3.31 H new ATOM 0 HH12 ARG A 65 -10.098 -5.748 -9.271 1.00 3.31 H new ATOM 0 HH21 ARG A 65 -9.584 -9.238 -9.153 1.00 3.80 H new ATOM 0 HH22 ARG A 65 -10.579 -7.929 -9.799 1.00 3.80 H new ATOM 1141 N GLU A 66 -4.700 -4.093 -7.373 1.00 0.55 N ATOM 1142 CA GLU A 66 -5.089 -3.209 -8.466 1.00 0.55 C ATOM 1143 C GLU A 66 -3.902 -2.953 -9.385 1.00 0.48 C ATOM 1144 O GLU A 66 -4.055 -2.834 -10.601 1.00 0.47 O ATOM 1145 CB GLU A 66 -5.619 -1.882 -7.923 1.00 0.62 C ATOM 1146 CG GLU A 66 -6.815 -2.035 -6.999 1.00 0.75 C ATOM 1147 CD GLU A 66 -8.000 -2.692 -7.674 1.00 1.27 C ATOM 1148 OE1 GLU A 66 -8.821 -1.967 -8.274 1.00 1.61 O ATOM 1149 OE2 GLU A 66 -8.121 -3.929 -7.601 1.00 2.02 O ATOM 0 H GLU A 66 -4.710 -3.653 -6.453 1.00 0.55 H new ATOM 0 HA GLU A 66 -5.882 -3.696 -9.034 1.00 0.55 H new ATOM 0 HB2 GLU A 66 -4.818 -1.374 -7.386 1.00 0.62 H new ATOM 0 HB3 GLU A 66 -5.897 -1.242 -8.760 1.00 0.62 H new ATOM 0 HG2 GLU A 66 -6.524 -2.626 -6.131 1.00 0.75 H new ATOM 0 HG3 GLU A 66 -7.111 -1.053 -6.631 1.00 0.75 H new ATOM 1156 N ILE A 67 -2.715 -2.868 -8.795 1.00 0.47 N ATOM 1157 CA ILE A 67 -1.490 -2.729 -9.564 1.00 0.47 C ATOM 1158 C ILE A 67 -1.201 -4.002 -10.340 1.00 0.45 C ATOM 1159 O ILE A 67 -0.820 -3.952 -11.505 1.00 0.45 O ATOM 1160 CB ILE A 67 -0.289 -2.375 -8.662 1.00 0.58 C ATOM 1161 CG1 ILE A 67 -0.476 -0.960 -8.114 1.00 0.67 C ATOM 1162 CG2 ILE A 67 1.033 -2.504 -9.422 1.00 0.60 C ATOM 1163 CD1 ILE A 67 0.598 -0.533 -7.145 1.00 0.81 C ATOM 0 H ILE A 67 -2.578 -2.893 -7.785 1.00 0.47 H new ATOM 0 HA ILE A 67 -1.636 -1.908 -10.266 1.00 0.47 H new ATOM 0 HB ILE A 67 -0.247 -3.079 -7.831 1.00 0.58 H new ATOM 0 HG12 ILE A 67 -0.499 -0.258 -8.948 1.00 0.67 H new ATOM 0 HG13 ILE A 67 -1.445 -0.898 -7.618 1.00 0.67 H new ATOM 0 HG21 ILE A 67 1.860 -2.248 -8.760 1.00 0.60 H new ATOM 0 HG22 ILE A 67 1.153 -3.529 -9.772 1.00 0.60 H new ATOM 0 HG23 ILE A 67 1.029 -1.827 -10.276 1.00 0.60 H new ATOM 0 HD11 ILE A 67 0.395 0.481 -6.801 1.00 0.81 H new ATOM 0 HD12 ILE A 67 0.608 -1.211 -6.291 1.00 0.81 H new ATOM 0 HD13 ILE A 67 1.568 -0.561 -7.642 1.00 0.81 H new ATOM 1175 N LEU A 68 -1.406 -5.143 -9.701 1.00 0.61 N ATOM 1176 CA LEU A 68 -1.225 -6.428 -10.357 1.00 0.80 C ATOM 1177 C LEU A 68 -2.262 -6.594 -11.463 1.00 0.82 C ATOM 1178 O LEU A 68 -1.990 -7.175 -12.513 1.00 0.88 O ATOM 1179 CB LEU A 68 -1.333 -7.565 -9.340 1.00 1.12 C ATOM 1180 CG LEU A 68 -0.844 -8.920 -9.841 1.00 1.34 C ATOM 1181 CD1 LEU A 68 0.591 -8.810 -10.328 1.00 1.58 C ATOM 1182 CD2 LEU A 68 -0.956 -9.964 -8.744 1.00 1.71 C ATOM 0 H LEU A 68 -1.699 -5.205 -8.726 1.00 0.61 H new ATOM 0 HA LEU A 68 -0.230 -6.464 -10.801 1.00 0.80 H new ATOM 0 HB2 LEU A 68 -0.762 -7.294 -8.452 1.00 1.12 H new ATOM 0 HB3 LEU A 68 -2.374 -7.661 -9.033 1.00 1.12 H new ATOM 0 HG LEU A 68 -1.472 -9.232 -10.675 1.00 1.34 H new ATOM 0 HD11 LEU A 68 0.930 -9.783 -10.683 1.00 1.58 H new ATOM 0 HD12 LEU A 68 0.645 -8.087 -11.142 1.00 1.58 H new ATOM 0 HD13 LEU A 68 1.229 -8.481 -9.508 1.00 1.58 H new ATOM 0 HD21 LEU A 68 -0.603 -10.925 -9.119 1.00 1.71 H new ATOM 0 HD22 LEU A 68 -0.349 -9.662 -7.891 1.00 1.71 H new ATOM 0 HD23 LEU A 68 -1.997 -10.056 -8.434 1.00 1.71 H new ATOM 1194 N LYS A 69 -3.433 -6.021 -11.222 1.00 0.95 N ATOM 1195 CA LYS A 69 -4.490 -5.981 -12.220 1.00 1.24 C ATOM 1196 C LYS A 69 -4.061 -5.134 -13.417 1.00 1.20 C ATOM 1197 O LYS A 69 -4.652 -5.198 -14.496 1.00 1.61 O ATOM 1198 CB LYS A 69 -5.777 -5.422 -11.611 1.00 1.39 C ATOM 1199 CG LYS A 69 -6.994 -5.632 -12.485 1.00 1.43 C ATOM 1200 CD LYS A 69 -8.217 -4.917 -11.936 1.00 1.50 C ATOM 1201 CE LYS A 69 -9.411 -5.093 -12.857 1.00 1.68 C ATOM 1202 NZ LYS A 69 -10.611 -4.365 -12.364 1.00 2.22 N ATOM 0 H LYS A 69 -3.675 -5.575 -10.337 1.00 0.95 H new ATOM 0 HA LYS A 69 -4.679 -6.998 -12.563 1.00 1.24 H new ATOM 0 HB2 LYS A 69 -5.948 -5.894 -10.643 1.00 1.39 H new ATOM 0 HB3 LYS A 69 -5.650 -4.355 -11.427 1.00 1.39 H new ATOM 0 HG2 LYS A 69 -6.784 -5.271 -13.492 1.00 1.43 H new ATOM 0 HG3 LYS A 69 -7.203 -6.699 -12.566 1.00 1.43 H new ATOM 0 HD2 LYS A 69 -8.456 -5.306 -10.946 1.00 1.50 H new ATOM 0 HD3 LYS A 69 -7.999 -3.856 -11.817 1.00 1.50 H new ATOM 0 HE2 LYS A 69 -9.155 -4.735 -13.854 1.00 1.68 H new ATOM 0 HE3 LYS A 69 -9.644 -6.154 -12.949 1.00 1.68 H new ATOM 0 HZ1 LYS A 69 -11.402 -4.513 -13.023 1.00 2.22 H new ATOM 0 HZ2 LYS A 69 -10.872 -4.724 -11.423 1.00 2.22 H new ATOM 0 HZ3 LYS A 69 -10.399 -3.349 -12.300 1.00 2.22 H new ATOM 1216 N HIS A 70 -3.019 -4.347 -13.213 1.00 1.05 N ATOM 1217 CA HIS A 70 -2.486 -3.474 -14.240 1.00 1.16 C ATOM 1218 C HIS A 70 -1.280 -4.125 -14.910 1.00 0.91 C ATOM 1219 O HIS A 70 -1.217 -4.257 -16.129 1.00 0.89 O ATOM 1220 CB HIS A 70 -2.113 -2.120 -13.624 1.00 1.41 C ATOM 1221 CG HIS A 70 -1.515 -1.140 -14.584 1.00 1.41 C ATOM 1222 ND1 HIS A 70 -2.202 -0.052 -15.074 1.00 1.59 N ATOM 1223 CD2 HIS A 70 -0.274 -1.069 -15.115 1.00 1.49 C ATOM 1224 CE1 HIS A 70 -1.411 0.645 -15.865 1.00 1.76 C ATOM 1225 NE2 HIS A 70 -0.234 0.050 -15.909 1.00 1.74 N ATOM 0 H HIS A 70 -2.518 -4.297 -12.326 1.00 1.05 H new ATOM 0 HA HIS A 70 -3.245 -3.307 -15.005 1.00 1.16 H new ATOM 0 HB2 HIS A 70 -3.007 -1.678 -13.184 1.00 1.41 H new ATOM 0 HB3 HIS A 70 -1.407 -2.288 -12.811 1.00 1.41 H new ATOM 0 HD1 HIS A 70 -3.172 0.179 -14.858 1.00 1.59 H new ATOM 0 HD2 HIS A 70 0.536 -1.764 -14.946 1.00 1.49 H new ATOM 0 HE1 HIS A 70 -1.681 1.550 -16.389 1.00 1.76 H new ATOM 1234 N VAL A 71 -0.315 -4.512 -14.079 1.00 0.76 N ATOM 1235 CA VAL A 71 0.971 -4.989 -14.533 1.00 0.69 C ATOM 1236 C VAL A 71 0.893 -6.395 -15.135 1.00 0.52 C ATOM 1237 O VAL A 71 1.402 -6.628 -16.232 1.00 0.59 O ATOM 1238 CB VAL A 71 2.001 -4.925 -13.376 1.00 0.81 C ATOM 1239 CG1 VAL A 71 1.572 -5.710 -12.173 1.00 1.01 C ATOM 1240 CG2 VAL A 71 3.353 -5.383 -13.826 1.00 1.46 C ATOM 0 H VAL A 71 -0.413 -4.500 -13.064 1.00 0.76 H new ATOM 0 HA VAL A 71 1.304 -4.331 -15.336 1.00 0.69 H new ATOM 0 HB VAL A 71 2.058 -3.877 -13.082 1.00 0.81 H new ATOM 0 HG11 VAL A 71 2.332 -5.629 -11.396 1.00 1.01 H new ATOM 0 HG12 VAL A 71 0.627 -5.316 -11.799 1.00 1.01 H new ATOM 0 HG13 VAL A 71 1.445 -6.757 -12.448 1.00 1.01 H new ATOM 0 HG21 VAL A 71 4.053 -5.326 -12.992 1.00 1.46 H new ATOM 0 HG22 VAL A 71 3.290 -6.413 -14.177 1.00 1.46 H new ATOM 0 HG23 VAL A 71 3.702 -4.744 -14.637 1.00 1.46 H new ATOM 1250 N VAL A 72 0.241 -7.323 -14.444 1.00 0.44 N ATOM 1251 CA VAL A 72 0.180 -8.693 -14.911 1.00 0.46 C ATOM 1252 C VAL A 72 -1.068 -8.916 -15.763 1.00 0.47 C ATOM 1253 O VAL A 72 -1.138 -9.857 -16.557 1.00 0.64 O ATOM 1254 CB VAL A 72 0.209 -9.689 -13.731 1.00 0.52 C ATOM 1255 CG1 VAL A 72 -1.188 -10.069 -13.269 1.00 0.74 C ATOM 1256 CG2 VAL A 72 1.036 -10.900 -14.097 1.00 0.80 C ATOM 0 H VAL A 72 -0.248 -7.149 -13.566 1.00 0.44 H new ATOM 0 HA VAL A 72 1.061 -8.873 -15.527 1.00 0.46 H new ATOM 0 HB VAL A 72 0.682 -9.197 -12.881 1.00 0.52 H new ATOM 0 HG11 VAL A 72 -1.118 -10.771 -12.438 1.00 0.74 H new ATOM 0 HG12 VAL A 72 -1.720 -9.175 -12.945 1.00 0.74 H new ATOM 0 HG13 VAL A 72 -1.729 -10.535 -14.092 1.00 0.74 H new ATOM 0 HG21 VAL A 72 1.051 -11.597 -13.259 1.00 0.80 H new ATOM 0 HG22 VAL A 72 0.600 -11.389 -14.968 1.00 0.80 H new ATOM 0 HG23 VAL A 72 2.055 -10.589 -14.328 1.00 0.80 H new ATOM 1266 N GLY A 73 -2.048 -8.040 -15.594 1.00 0.45 N ATOM 1267 CA GLY A 73 -3.271 -8.143 -16.352 1.00 0.48 C ATOM 1268 C GLY A 73 -4.339 -8.917 -15.613 1.00 0.50 C ATOM 1269 O GLY A 73 -4.083 -9.477 -14.544 1.00 0.55 O ATOM 0 H GLY A 73 -2.014 -7.257 -14.941 1.00 0.45 H new ATOM 0 HA2 GLY A 73 -3.641 -7.143 -16.579 1.00 0.48 H new ATOM 0 HA3 GLY A 73 -3.066 -8.630 -17.305 1.00 0.48 H new ATOM 1273 N GLU A 74 -5.533 -8.943 -16.179 1.00 0.54 N ATOM 1274 CA GLU A 74 -6.649 -9.673 -15.591 1.00 0.58 C ATOM 1275 C GLU A 74 -6.334 -11.166 -15.532 1.00 0.53 C ATOM 1276 O GLU A 74 -6.686 -11.838 -14.570 1.00 0.60 O ATOM 1277 CB GLU A 74 -7.938 -9.447 -16.393 1.00 0.69 C ATOM 1278 CG GLU A 74 -8.451 -8.008 -16.393 1.00 1.45 C ATOM 1279 CD GLU A 74 -7.583 -7.053 -17.193 1.00 1.80 C ATOM 1280 OE1 GLU A 74 -6.912 -7.504 -18.149 1.00 2.31 O ATOM 1281 OE2 GLU A 74 -7.554 -5.848 -16.866 1.00 2.10 O ATOM 0 H GLU A 74 -5.758 -8.464 -17.051 1.00 0.54 H new ATOM 0 HA GLU A 74 -6.800 -9.297 -14.579 1.00 0.58 H new ATOM 0 HB2 GLU A 74 -7.766 -9.756 -17.424 1.00 0.69 H new ATOM 0 HB3 GLU A 74 -8.717 -10.095 -15.991 1.00 0.69 H new ATOM 0 HG2 GLU A 74 -9.463 -7.992 -16.798 1.00 1.45 H new ATOM 0 HG3 GLU A 74 -8.514 -7.654 -15.364 1.00 1.45 H new ATOM 1288 N GLU A 75 -5.642 -11.650 -16.561 1.00 0.54 N ATOM 1289 CA GLU A 75 -5.278 -13.064 -16.698 1.00 0.55 C ATOM 1290 C GLU A 75 -4.730 -13.678 -15.415 1.00 0.53 C ATOM 1291 O GLU A 75 -5.341 -14.580 -14.840 1.00 0.56 O ATOM 1292 CB GLU A 75 -4.223 -13.216 -17.795 1.00 0.58 C ATOM 1293 CG GLU A 75 -3.667 -14.628 -17.903 1.00 0.95 C ATOM 1294 CD GLU A 75 -2.729 -14.802 -19.074 1.00 1.29 C ATOM 1295 OE1 GLU A 75 -3.209 -14.942 -20.216 1.00 1.31 O ATOM 1296 OE2 GLU A 75 -1.500 -14.801 -18.857 1.00 2.00 O ATOM 0 H GLU A 75 -5.314 -11.069 -17.332 1.00 0.54 H new ATOM 0 HA GLU A 75 -6.197 -13.594 -16.948 1.00 0.55 H new ATOM 0 HB2 GLU A 75 -4.660 -12.931 -18.752 1.00 0.58 H new ATOM 0 HB3 GLU A 75 -3.404 -12.524 -17.600 1.00 0.58 H new ATOM 0 HG2 GLU A 75 -3.140 -14.877 -16.982 1.00 0.95 H new ATOM 0 HG3 GLU A 75 -4.493 -15.332 -17.998 1.00 0.95 H new ATOM 1303 N LYS A 76 -3.587 -13.193 -14.961 1.00 0.50 N ATOM 1304 CA LYS A 76 -2.884 -13.846 -13.883 1.00 0.51 C ATOM 1305 C LYS A 76 -3.563 -13.568 -12.551 1.00 0.55 C ATOM 1306 O LYS A 76 -3.649 -14.450 -11.699 1.00 0.57 O ATOM 1307 CB LYS A 76 -1.430 -13.397 -13.864 1.00 0.47 C ATOM 1308 CG LYS A 76 -0.732 -13.572 -15.203 1.00 1.16 C ATOM 1309 CD LYS A 76 -0.801 -15.009 -15.697 1.00 1.43 C ATOM 1310 CE LYS A 76 0.043 -15.944 -14.852 1.00 0.71 C ATOM 1311 NZ LYS A 76 0.017 -17.329 -15.386 1.00 1.13 N ATOM 0 H LYS A 76 -3.133 -12.354 -15.323 1.00 0.50 H new ATOM 0 HA LYS A 76 -2.909 -14.923 -14.047 1.00 0.51 H new ATOM 0 HB2 LYS A 76 -1.384 -12.348 -13.572 1.00 0.47 H new ATOM 0 HB3 LYS A 76 -0.891 -13.963 -13.104 1.00 0.47 H new ATOM 0 HG2 LYS A 76 -1.191 -12.913 -15.940 1.00 1.16 H new ATOM 0 HG3 LYS A 76 0.311 -13.270 -15.110 1.00 1.16 H new ATOM 0 HD2 LYS A 76 -1.837 -15.347 -15.685 1.00 1.43 H new ATOM 0 HD3 LYS A 76 -0.463 -15.053 -16.732 1.00 1.43 H new ATOM 0 HE2 LYS A 76 1.071 -15.583 -14.823 1.00 0.71 H new ATOM 0 HE3 LYS A 76 -0.325 -15.941 -13.826 1.00 0.71 H new ATOM 0 HZ1 LYS A 76 0.519 -17.963 -14.732 1.00 1.13 H new ATOM 0 HZ2 LYS A 76 -0.969 -17.644 -15.486 1.00 1.13 H new ATOM 0 HZ3 LYS A 76 0.483 -17.352 -16.315 1.00 1.13 H new ATOM 1325 N ALA A 77 -4.065 -12.350 -12.385 1.00 0.57 N ATOM 1326 CA ALA A 77 -4.777 -11.972 -11.172 1.00 0.64 C ATOM 1327 C ALA A 77 -6.055 -12.797 -11.021 1.00 0.65 C ATOM 1328 O ALA A 77 -6.515 -13.056 -9.906 1.00 0.70 O ATOM 1329 CB ALA A 77 -5.094 -10.483 -11.188 1.00 0.68 C ATOM 0 H ALA A 77 -3.991 -11.606 -13.078 1.00 0.57 H new ATOM 0 HA ALA A 77 -4.137 -12.178 -10.314 1.00 0.64 H new ATOM 0 HB1 ALA A 77 -5.626 -10.214 -10.275 1.00 0.68 H new ATOM 0 HB2 ALA A 77 -4.166 -9.914 -11.248 1.00 0.68 H new ATOM 0 HB3 ALA A 77 -5.717 -10.253 -12.052 1.00 0.68 H new ATOM 1335 N ALA A 78 -6.617 -13.210 -12.149 1.00 0.63 N ATOM 1336 CA ALA A 78 -7.805 -14.047 -12.162 1.00 0.67 C ATOM 1337 C ALA A 78 -7.480 -15.462 -11.699 1.00 0.67 C ATOM 1338 O ALA A 78 -8.203 -16.044 -10.887 1.00 0.73 O ATOM 1339 CB ALA A 78 -8.401 -14.074 -13.560 1.00 0.66 C ATOM 0 H ALA A 78 -6.263 -12.975 -13.076 1.00 0.63 H new ATOM 0 HA ALA A 78 -8.533 -13.625 -11.470 1.00 0.67 H new ATOM 0 HB1 ALA A 78 -9.291 -14.703 -13.564 1.00 0.66 H new ATOM 0 HB2 ALA A 78 -8.671 -13.061 -13.860 1.00 0.66 H new ATOM 0 HB3 ALA A 78 -7.669 -14.477 -14.260 1.00 0.66 H new ATOM 1345 N GLU A 79 -6.376 -16.005 -12.199 1.00 0.62 N ATOM 1346 CA GLU A 79 -5.994 -17.370 -11.872 1.00 0.65 C ATOM 1347 C GLU A 79 -5.426 -17.450 -10.458 1.00 0.66 C ATOM 1348 O GLU A 79 -5.416 -18.516 -9.842 1.00 0.67 O ATOM 1349 CB GLU A 79 -5.020 -17.914 -12.912 1.00 0.65 C ATOM 1350 CG GLU A 79 -3.581 -17.602 -12.632 1.00 0.85 C ATOM 1351 CD GLU A 79 -2.665 -18.092 -13.738 1.00 0.87 C ATOM 1352 OE1 GLU A 79 -2.637 -17.476 -14.824 1.00 1.26 O ATOM 1353 OE2 GLU A 79 -1.959 -19.097 -13.527 1.00 1.33 O ATOM 0 H GLU A 79 -5.734 -15.523 -12.828 1.00 0.62 H new ATOM 0 HA GLU A 79 -6.884 -17.999 -11.896 1.00 0.65 H new ATOM 0 HB2 GLU A 79 -5.140 -18.996 -12.974 1.00 0.65 H new ATOM 0 HB3 GLU A 79 -5.285 -17.507 -13.888 1.00 0.65 H new ATOM 0 HG2 GLU A 79 -3.461 -16.525 -12.513 1.00 0.85 H new ATOM 0 HG3 GLU A 79 -3.288 -18.062 -11.688 1.00 0.85 H new ATOM 1360 N LEU A 80 -4.974 -16.312 -9.946 1.00 0.66 N ATOM 1361 CA LEU A 80 -4.629 -16.170 -8.541 1.00 0.70 C ATOM 1362 C LEU A 80 -5.874 -16.195 -7.663 1.00 0.74 C ATOM 1363 O LEU A 80 -5.899 -16.852 -6.621 1.00 0.80 O ATOM 1364 CB LEU A 80 -3.872 -14.860 -8.334 1.00 0.71 C ATOM 1365 CG LEU A 80 -2.428 -14.874 -8.824 1.00 0.66 C ATOM 1366 CD1 LEU A 80 -1.917 -13.464 -9.040 1.00 0.97 C ATOM 1367 CD2 LEU A 80 -1.561 -15.601 -7.822 1.00 0.98 C ATOM 0 H LEU A 80 -4.837 -15.463 -10.495 1.00 0.66 H new ATOM 0 HA LEU A 80 -3.998 -17.011 -8.253 1.00 0.70 H new ATOM 0 HB2 LEU A 80 -4.408 -14.062 -8.847 1.00 0.71 H new ATOM 0 HB3 LEU A 80 -3.878 -14.616 -7.272 1.00 0.71 H new ATOM 0 HG LEU A 80 -2.387 -15.395 -9.780 1.00 0.66 H new ATOM 0 HD11 LEU A 80 -0.885 -13.500 -9.389 1.00 0.97 H new ATOM 0 HD12 LEU A 80 -2.535 -12.963 -9.785 1.00 0.97 H new ATOM 0 HD13 LEU A 80 -1.963 -12.913 -8.101 1.00 0.97 H new ATOM 0 HD21 LEU A 80 -0.529 -15.611 -8.173 1.00 0.98 H new ATOM 0 HD22 LEU A 80 -1.612 -15.092 -6.860 1.00 0.98 H new ATOM 0 HD23 LEU A 80 -1.916 -16.626 -7.710 1.00 0.98 H new ATOM 1379 N LYS A 81 -6.908 -15.481 -8.097 1.00 0.74 N ATOM 1380 CA LYS A 81 -8.148 -15.380 -7.339 1.00 0.79 C ATOM 1381 C LYS A 81 -8.790 -16.754 -7.166 1.00 0.77 C ATOM 1382 O LYS A 81 -9.140 -17.151 -6.053 1.00 0.79 O ATOM 1383 CB LYS A 81 -9.121 -14.422 -8.036 1.00 0.83 C ATOM 1384 CG LYS A 81 -10.447 -14.247 -7.310 1.00 1.18 C ATOM 1385 CD LYS A 81 -10.247 -13.760 -5.883 1.00 1.34 C ATOM 1386 CE LYS A 81 -11.574 -13.492 -5.190 1.00 1.68 C ATOM 1387 NZ LYS A 81 -12.420 -14.711 -5.108 1.00 2.12 N ATOM 0 H LYS A 81 -6.910 -14.962 -8.975 1.00 0.74 H new ATOM 0 HA LYS A 81 -7.914 -14.985 -6.351 1.00 0.79 H new ATOM 0 HB2 LYS A 81 -8.644 -13.447 -8.139 1.00 0.83 H new ATOM 0 HB3 LYS A 81 -9.316 -14.789 -9.044 1.00 0.83 H new ATOM 0 HG2 LYS A 81 -11.068 -13.535 -7.854 1.00 1.18 H new ATOM 0 HG3 LYS A 81 -10.984 -15.196 -7.299 1.00 1.18 H new ATOM 0 HD2 LYS A 81 -9.686 -14.505 -5.319 1.00 1.34 H new ATOM 0 HD3 LYS A 81 -9.649 -12.849 -5.890 1.00 1.34 H new ATOM 0 HE2 LYS A 81 -11.387 -13.113 -4.185 1.00 1.68 H new ATOM 0 HE3 LYS A 81 -12.113 -12.713 -5.729 1.00 1.68 H new ATOM 0 HZ1 LYS A 81 -13.111 -14.603 -4.338 1.00 2.12 H new ATOM 0 HZ2 LYS A 81 -12.923 -14.846 -6.008 1.00 2.12 H new ATOM 0 HZ3 LYS A 81 -11.819 -15.539 -4.920 1.00 2.12 H new ATOM 1401 N ASN A 82 -8.929 -17.482 -8.267 1.00 0.75 N ATOM 1402 CA ASN A 82 -9.498 -18.824 -8.217 1.00 0.75 C ATOM 1403 C ASN A 82 -8.550 -19.742 -7.459 1.00 0.74 C ATOM 1404 O ASN A 82 -9.004 -20.629 -6.738 1.00 0.80 O ATOM 1405 CB ASN A 82 -9.748 -19.353 -9.632 1.00 0.73 C ATOM 1406 CG ASN A 82 -10.485 -20.681 -9.649 1.00 0.87 C ATOM 1407 OD1 ASN A 82 -11.266 -20.989 -8.752 1.00 1.42 O ATOM 1408 ND2 ASN A 82 -10.238 -21.477 -10.677 1.00 1.54 N ATOM 0 H ASN A 82 -8.658 -17.169 -9.199 1.00 0.75 H new ATOM 0 HA ASN A 82 -10.456 -18.792 -7.698 1.00 0.75 H new ATOM 0 HB2 ASN A 82 -10.325 -18.617 -10.192 1.00 0.73 H new ATOM 0 HB3 ASN A 82 -8.793 -19.467 -10.145 1.00 0.73 H new ATOM 0 HD21 ASN A 82 -10.703 -22.382 -10.744 1.00 1.54 H new ATOM 0 HD22 ASN A 82 -9.583 -21.185 -11.402 1.00 1.54 H new ATOM 1415 N LEU A 83 -7.250 -19.539 -7.615 1.00 0.72 N ATOM 1416 CA LEU A 83 -6.287 -20.388 -6.928 1.00 0.72 C ATOM 1417 C LEU A 83 -6.532 -20.346 -5.422 1.00 0.74 C ATOM 1418 O LEU A 83 -6.658 -21.386 -4.776 1.00 0.77 O ATOM 1419 CB LEU A 83 -4.857 -19.947 -7.220 1.00 0.75 C ATOM 1420 CG LEU A 83 -3.893 -21.060 -7.651 1.00 0.73 C ATOM 1421 CD1 LEU A 83 -2.493 -20.506 -7.817 1.00 1.05 C ATOM 1422 CD2 LEU A 83 -3.890 -22.211 -6.652 1.00 1.37 C ATOM 0 H LEU A 83 -6.843 -18.809 -8.199 1.00 0.72 H new ATOM 0 HA LEU A 83 -6.418 -21.406 -7.294 1.00 0.72 H new ATOM 0 HB2 LEU A 83 -4.883 -19.190 -8.004 1.00 0.75 H new ATOM 0 HB3 LEU A 83 -4.454 -19.468 -6.327 1.00 0.75 H new ATOM 0 HG LEU A 83 -4.238 -21.449 -8.609 1.00 0.73 H new ATOM 0 HD11 LEU A 83 -1.819 -21.306 -8.123 1.00 1.05 H new ATOM 0 HD12 LEU A 83 -2.498 -19.725 -8.578 1.00 1.05 H new ATOM 0 HD13 LEU A 83 -2.153 -20.087 -6.870 1.00 1.05 H new ATOM 0 HD21 LEU A 83 -3.197 -22.982 -6.988 1.00 1.37 H new ATOM 0 HD22 LEU A 83 -3.578 -21.843 -5.674 1.00 1.37 H new ATOM 0 HD23 LEU A 83 -4.893 -22.632 -6.579 1.00 1.37 H new ATOM 1434 N LYS A 84 -6.607 -19.131 -4.883 1.00 0.76 N ATOM 1435 CA LYS A 84 -6.847 -18.929 -3.459 1.00 0.81 C ATOM 1436 C LYS A 84 -8.078 -19.694 -2.983 1.00 0.83 C ATOM 1437 O LYS A 84 -8.009 -20.456 -2.017 1.00 0.87 O ATOM 1438 CB LYS A 84 -7.010 -17.438 -3.151 1.00 0.88 C ATOM 1439 CG LYS A 84 -7.121 -17.141 -1.665 1.00 0.96 C ATOM 1440 CD LYS A 84 -7.158 -15.650 -1.383 1.00 1.19 C ATOM 1441 CE LYS A 84 -7.239 -15.369 0.107 1.00 1.54 C ATOM 1442 NZ LYS A 84 -8.458 -15.964 0.725 1.00 2.27 N ATOM 0 H LYS A 84 -6.504 -18.268 -5.416 1.00 0.76 H new ATOM 0 HA LYS A 84 -5.980 -19.315 -2.923 1.00 0.81 H new ATOM 0 HB2 LYS A 84 -6.159 -16.894 -3.561 1.00 0.88 H new ATOM 0 HB3 LYS A 84 -7.900 -17.065 -3.657 1.00 0.88 H new ATOM 0 HG2 LYS A 84 -8.023 -17.607 -1.269 1.00 0.96 H new ATOM 0 HG3 LYS A 84 -6.275 -17.588 -1.142 1.00 0.96 H new ATOM 0 HD2 LYS A 84 -6.266 -15.178 -1.796 1.00 1.19 H new ATOM 0 HD3 LYS A 84 -8.016 -15.204 -1.886 1.00 1.19 H new ATOM 0 HE2 LYS A 84 -6.352 -15.768 0.599 1.00 1.54 H new ATOM 0 HE3 LYS A 84 -7.238 -14.292 0.273 1.00 1.54 H new ATOM 0 HZ1 LYS A 84 -8.581 -15.584 1.685 1.00 2.27 H new ATOM 0 HZ2 LYS A 84 -9.291 -15.726 0.149 1.00 2.27 H new ATOM 0 HZ3 LYS A 84 -8.354 -16.998 0.773 1.00 2.27 H new ATOM 1456 N ASP A 85 -9.195 -19.505 -3.676 1.00 0.84 N ATOM 1457 CA ASP A 85 -10.459 -20.139 -3.287 1.00 0.91 C ATOM 1458 C ASP A 85 -10.452 -21.645 -3.536 1.00 0.90 C ATOM 1459 O ASP A 85 -11.206 -22.385 -2.902 1.00 0.94 O ATOM 1460 CB ASP A 85 -11.636 -19.494 -4.018 1.00 0.98 C ATOM 1461 CG ASP A 85 -11.939 -18.101 -3.508 1.00 1.59 C ATOM 1462 OD1 ASP A 85 -12.536 -17.978 -2.417 1.00 1.48 O ATOM 1463 OD2 ASP A 85 -11.581 -17.117 -4.193 1.00 2.52 O ATOM 0 H ASP A 85 -9.256 -18.920 -4.509 1.00 0.84 H new ATOM 0 HA ASP A 85 -10.573 -19.983 -2.214 1.00 0.91 H new ATOM 0 HB2 ASP A 85 -11.416 -19.448 -5.085 1.00 0.98 H new ATOM 0 HB3 ASP A 85 -12.520 -20.121 -3.902 1.00 0.98 H new ATOM 1468 N SER A 86 -9.607 -22.099 -4.450 1.00 0.86 N ATOM 1469 CA SER A 86 -9.456 -23.530 -4.699 1.00 0.90 C ATOM 1470 C SER A 86 -8.520 -24.160 -3.670 1.00 0.84 C ATOM 1471 O SER A 86 -8.367 -25.381 -3.616 1.00 0.96 O ATOM 1472 CB SER A 86 -8.921 -23.772 -6.113 1.00 0.97 C ATOM 1473 OG SER A 86 -9.808 -23.256 -7.098 1.00 1.52 O ATOM 0 H SER A 86 -9.017 -21.503 -5.030 1.00 0.86 H new ATOM 0 HA SER A 86 -10.437 -23.997 -4.609 1.00 0.90 H new ATOM 0 HB2 SER A 86 -7.943 -23.302 -6.219 1.00 0.97 H new ATOM 0 HB3 SER A 86 -8.780 -24.841 -6.272 1.00 0.97 H new ATOM 0 HG SER A 86 -9.702 -22.283 -7.156 1.00 1.52 H new ATOM 1479 N GLY A 87 -7.896 -23.318 -2.863 1.00 0.80 N ATOM 1480 CA GLY A 87 -7.091 -23.805 -1.765 1.00 0.88 C ATOM 1481 C GLY A 87 -5.634 -23.439 -1.915 1.00 0.82 C ATOM 1482 O GLY A 87 -4.754 -24.276 -1.693 1.00 0.92 O ATOM 0 H GLY A 87 -7.933 -22.302 -2.949 1.00 0.80 H new ATOM 0 HA2 GLY A 87 -7.471 -23.396 -0.829 1.00 0.88 H new ATOM 0 HA3 GLY A 87 -7.186 -24.889 -1.701 1.00 0.88 H new ATOM 1486 N ALA A 88 -5.365 -22.206 -2.300 1.00 0.76 N ATOM 1487 CA ALA A 88 -3.995 -21.734 -2.316 1.00 0.76 C ATOM 1488 C ALA A 88 -3.643 -21.166 -0.960 1.00 0.80 C ATOM 1489 O ALA A 88 -4.297 -20.249 -0.458 1.00 0.83 O ATOM 1490 CB ALA A 88 -3.778 -20.686 -3.385 1.00 0.76 C ATOM 0 H ALA A 88 -6.062 -21.525 -2.600 1.00 0.76 H new ATOM 0 HA ALA A 88 -3.347 -22.580 -2.545 1.00 0.76 H new ATOM 0 HB1 ALA A 88 -2.739 -20.357 -3.366 1.00 0.76 H new ATOM 0 HB2 ALA A 88 -4.006 -21.111 -4.363 1.00 0.76 H new ATOM 0 HB3 ALA A 88 -4.432 -19.834 -3.198 1.00 0.76 H new ATOM 1496 N SER A 89 -2.614 -21.735 -0.372 1.00 0.81 N ATOM 1497 CA SER A 89 -2.081 -21.248 0.871 1.00 0.86 C ATOM 1498 C SER A 89 -1.311 -19.961 0.618 1.00 0.78 C ATOM 1499 O SER A 89 -1.159 -19.549 -0.540 1.00 0.77 O ATOM 1500 CB SER A 89 -1.182 -22.311 1.493 1.00 0.93 C ATOM 1501 OG SER A 89 -0.182 -22.727 0.582 1.00 1.60 O ATOM 0 H SER A 89 -2.126 -22.549 -0.746 1.00 0.81 H new ATOM 0 HA SER A 89 -2.892 -21.036 1.568 1.00 0.86 H new ATOM 0 HB2 SER A 89 -0.715 -21.915 2.395 1.00 0.93 H new ATOM 0 HB3 SER A 89 -1.783 -23.169 1.795 1.00 0.93 H new ATOM 0 HG SER A 89 0.383 -23.407 1.004 1.00 1.60 H new ATOM 1507 N LYS A 90 -0.825 -19.320 1.668 1.00 0.76 N ATOM 1508 CA LYS A 90 -0.102 -18.068 1.508 1.00 0.74 C ATOM 1509 C LYS A 90 1.109 -18.259 0.595 1.00 0.69 C ATOM 1510 O LYS A 90 1.457 -17.373 -0.182 1.00 0.67 O ATOM 1511 CB LYS A 90 0.326 -17.506 2.869 1.00 0.81 C ATOM 1512 CG LYS A 90 1.237 -18.426 3.660 1.00 1.29 C ATOM 1513 CD LYS A 90 1.702 -17.773 4.948 1.00 1.77 C ATOM 1514 CE LYS A 90 2.550 -18.722 5.778 1.00 2.22 C ATOM 1515 NZ LYS A 90 3.004 -18.097 7.048 1.00 2.96 N ATOM 0 H LYS A 90 -0.916 -19.641 2.632 1.00 0.76 H new ATOM 0 HA LYS A 90 -0.772 -17.346 1.041 1.00 0.74 H new ATOM 0 HB2 LYS A 90 0.834 -16.554 2.714 1.00 0.81 H new ATOM 0 HB3 LYS A 90 -0.565 -17.298 3.461 1.00 0.81 H new ATOM 0 HG2 LYS A 90 0.710 -19.352 3.890 1.00 1.29 H new ATOM 0 HG3 LYS A 90 2.102 -18.693 3.053 1.00 1.29 H new ATOM 0 HD2 LYS A 90 2.278 -16.877 4.716 1.00 1.77 H new ATOM 0 HD3 LYS A 90 0.836 -17.454 5.529 1.00 1.77 H new ATOM 0 HE2 LYS A 90 1.975 -19.621 6.001 1.00 2.22 H new ATOM 0 HE3 LYS A 90 3.418 -19.035 5.197 1.00 2.22 H new ATOM 0 HZ1 LYS A 90 3.579 -18.778 7.584 1.00 2.96 H new ATOM 0 HZ2 LYS A 90 3.574 -17.254 6.835 1.00 2.96 H new ATOM 0 HZ3 LYS A 90 2.177 -17.821 7.615 1.00 2.96 H new ATOM 1529 N GLU A 91 1.720 -19.439 0.656 1.00 0.71 N ATOM 1530 CA GLU A 91 2.920 -19.707 -0.118 1.00 0.70 C ATOM 1531 C GLU A 91 2.589 -20.003 -1.580 1.00 0.67 C ATOM 1532 O GLU A 91 3.325 -19.602 -2.462 1.00 0.67 O ATOM 1533 CB GLU A 91 3.713 -20.850 0.504 1.00 0.73 C ATOM 1534 CG GLU A 91 4.249 -20.516 1.883 1.00 1.30 C ATOM 1535 CD GLU A 91 4.927 -21.691 2.542 1.00 1.74 C ATOM 1536 OE1 GLU A 91 4.221 -22.639 2.941 1.00 2.34 O ATOM 1537 OE2 GLU A 91 6.168 -21.673 2.667 1.00 2.10 O ATOM 0 H GLU A 91 1.403 -20.219 1.232 1.00 0.71 H new ATOM 0 HA GLU A 91 3.538 -18.809 -0.099 1.00 0.70 H new ATOM 0 HB2 GLU A 91 3.077 -21.732 0.571 1.00 0.73 H new ATOM 0 HB3 GLU A 91 4.545 -21.107 -0.151 1.00 0.73 H new ATOM 0 HG2 GLU A 91 4.957 -19.691 1.804 1.00 1.30 H new ATOM 0 HG3 GLU A 91 3.429 -20.173 2.514 1.00 1.30 H new ATOM 1544 N GLU A 92 1.525 -20.753 -1.836 1.00 0.66 N ATOM 1545 CA GLU A 92 1.057 -21.011 -3.184 1.00 0.65 C ATOM 1546 C GLU A 92 0.773 -19.711 -3.904 1.00 0.60 C ATOM 1547 O GLU A 92 1.070 -19.576 -5.077 1.00 0.57 O ATOM 1548 CB GLU A 92 -0.210 -21.836 -3.127 1.00 0.69 C ATOM 1549 CG GLU A 92 -0.040 -23.149 -2.407 1.00 0.74 C ATOM 1550 CD GLU A 92 0.833 -24.125 -3.167 1.00 1.06 C ATOM 1551 OE1 GLU A 92 0.292 -24.896 -3.985 1.00 1.10 O ATOM 1552 OE2 GLU A 92 2.062 -24.129 -2.956 1.00 1.45 O ATOM 0 H GLU A 92 0.964 -21.199 -1.110 1.00 0.66 H new ATOM 0 HA GLU A 92 1.832 -21.553 -3.726 1.00 0.65 H new ATOM 0 HB2 GLU A 92 -0.989 -21.257 -2.631 1.00 0.69 H new ATOM 0 HB3 GLU A 92 -0.554 -22.030 -4.143 1.00 0.69 H new ATOM 0 HG2 GLU A 92 0.397 -22.966 -1.425 1.00 0.74 H new ATOM 0 HG3 GLU A 92 -1.020 -23.597 -2.242 1.00 0.74 H new ATOM 1559 N LEU A 93 0.214 -18.750 -3.179 1.00 0.61 N ATOM 1560 CA LEU A 93 0.060 -17.402 -3.727 1.00 0.60 C ATOM 1561 C LEU A 93 1.420 -16.730 -3.779 1.00 0.61 C ATOM 1562 O LEU A 93 1.646 -15.929 -4.675 1.00 0.64 O ATOM 1563 CB LEU A 93 -0.979 -16.588 -2.962 1.00 0.64 C ATOM 1564 CG LEU A 93 -2.416 -17.098 -3.140 1.00 0.69 C ATOM 1565 CD1 LEU A 93 -3.420 -16.066 -2.673 1.00 1.08 C ATOM 1566 CD2 LEU A 93 -2.685 -17.466 -4.594 1.00 1.07 C ATOM 0 H LEU A 93 -0.135 -18.871 -2.228 1.00 0.61 H new ATOM 0 HA LEU A 93 -0.327 -17.469 -4.744 1.00 0.60 H new ATOM 0 HB2 LEU A 93 -0.728 -16.600 -1.901 1.00 0.64 H new ATOM 0 HB3 LEU A 93 -0.928 -15.550 -3.290 1.00 0.64 H new ATOM 0 HG LEU A 93 -2.527 -17.992 -2.527 1.00 0.69 H new ATOM 0 HD11 LEU A 93 -4.430 -16.453 -2.810 1.00 1.08 H new ATOM 0 HD12 LEU A 93 -3.255 -15.849 -1.618 1.00 1.08 H new ATOM 0 HD13 LEU A 93 -3.299 -15.152 -3.254 1.00 1.08 H new ATOM 0 HD21 LEU A 93 -3.709 -17.825 -4.695 1.00 1.07 H new ATOM 0 HD22 LEU A 93 -2.544 -16.587 -5.224 1.00 1.07 H new ATOM 0 HD23 LEU A 93 -1.994 -18.250 -4.905 1.00 1.07 H new ATOM 1578 N LYS A 94 2.332 -17.030 -2.874 1.00 0.61 N ATOM 1579 CA LYS A 94 3.642 -16.394 -2.895 1.00 0.61 C ATOM 1580 C LYS A 94 4.441 -16.887 -4.086 1.00 0.66 C ATOM 1581 O LYS A 94 5.076 -16.113 -4.798 1.00 0.72 O ATOM 1582 CB LYS A 94 4.405 -16.695 -1.603 1.00 0.64 C ATOM 1583 CG LYS A 94 5.787 -16.065 -1.550 1.00 0.69 C ATOM 1584 CD LYS A 94 6.555 -16.509 -0.315 1.00 1.16 C ATOM 1585 CE LYS A 94 7.991 -16.014 -0.347 1.00 1.38 C ATOM 1586 NZ LYS A 94 8.706 -16.459 -1.575 1.00 2.06 N ATOM 0 H LYS A 94 2.195 -17.703 -2.120 1.00 0.61 H new ATOM 0 HA LYS A 94 3.500 -15.316 -2.977 1.00 0.61 H new ATOM 0 HB2 LYS A 94 3.820 -16.339 -0.755 1.00 0.64 H new ATOM 0 HB3 LYS A 94 4.503 -17.775 -1.492 1.00 0.64 H new ATOM 0 HG2 LYS A 94 6.347 -16.337 -2.445 1.00 0.69 H new ATOM 0 HG3 LYS A 94 5.693 -14.979 -1.551 1.00 0.69 H new ATOM 0 HD2 LYS A 94 6.058 -16.132 0.579 1.00 1.16 H new ATOM 0 HD3 LYS A 94 6.545 -17.597 -0.250 1.00 1.16 H new ATOM 0 HE2 LYS A 94 8.001 -14.925 -0.296 1.00 1.38 H new ATOM 0 HE3 LYS A 94 8.520 -16.379 0.533 1.00 1.38 H new ATOM 0 HZ1 LYS A 94 9.685 -16.715 -1.333 1.00 2.06 H new ATOM 0 HZ2 LYS A 94 8.221 -17.286 -1.979 1.00 2.06 H new ATOM 0 HZ3 LYS A 94 8.712 -15.687 -2.272 1.00 2.06 H new ATOM 1600 N ALA A 95 4.382 -18.182 -4.306 1.00 0.67 N ATOM 1601 CA ALA A 95 5.160 -18.803 -5.348 1.00 0.73 C ATOM 1602 C ALA A 95 4.433 -18.768 -6.679 1.00 0.73 C ATOM 1603 O ALA A 95 5.023 -18.938 -7.743 1.00 0.93 O ATOM 1604 CB ALA A 95 5.526 -20.220 -4.965 1.00 0.77 C ATOM 0 H ALA A 95 3.799 -18.826 -3.772 1.00 0.67 H new ATOM 0 HA ALA A 95 6.081 -18.231 -5.465 1.00 0.73 H new ATOM 0 HB1 ALA A 95 6.113 -20.673 -5.764 1.00 0.77 H new ATOM 0 HB2 ALA A 95 6.112 -20.209 -4.046 1.00 0.77 H new ATOM 0 HB3 ALA A 95 4.617 -20.801 -4.809 1.00 0.77 H new ATOM 1610 N LYS A 96 3.129 -18.511 -6.582 1.00 0.70 N ATOM 1611 CA LYS A 96 2.377 -18.157 -7.783 1.00 0.76 C ATOM 1612 C LYS A 96 2.702 -16.734 -8.211 1.00 0.58 C ATOM 1613 O LYS A 96 3.093 -16.476 -9.350 1.00 0.55 O ATOM 1614 CB LYS A 96 0.872 -18.296 -7.570 1.00 1.02 C ATOM 1615 CG LYS A 96 0.075 -18.267 -8.860 1.00 1.75 C ATOM 1616 CD LYS A 96 0.408 -19.450 -9.747 1.00 2.07 C ATOM 1617 CE LYS A 96 -0.508 -19.506 -10.952 1.00 2.92 C ATOM 1618 NZ LYS A 96 -0.236 -20.693 -11.798 1.00 3.11 N ATOM 0 H LYS A 96 2.588 -18.539 -5.718 1.00 0.70 H new ATOM 0 HA LYS A 96 2.674 -18.852 -8.568 1.00 0.76 H new ATOM 0 HB2 LYS A 96 0.671 -19.232 -7.049 1.00 1.02 H new ATOM 0 HB3 LYS A 96 0.529 -17.490 -6.921 1.00 1.02 H new ATOM 0 HG2 LYS A 96 -0.991 -18.272 -8.630 1.00 1.75 H new ATOM 0 HG3 LYS A 96 0.281 -17.340 -9.395 1.00 1.75 H new ATOM 0 HD2 LYS A 96 1.444 -19.380 -10.078 1.00 2.07 H new ATOM 0 HD3 LYS A 96 0.318 -20.374 -9.175 1.00 2.07 H new ATOM 0 HE2 LYS A 96 -1.546 -19.528 -10.619 1.00 2.92 H new ATOM 0 HE3 LYS A 96 -0.383 -18.601 -11.546 1.00 2.92 H new ATOM 0 HZ1 LYS A 96 -0.719 -20.585 -12.713 1.00 3.11 H new ATOM 0 HZ2 LYS A 96 0.788 -20.780 -11.955 1.00 3.11 H new ATOM 0 HZ3 LYS A 96 -0.587 -21.548 -11.320 1.00 3.11 H new ATOM 1632 N VAL A 97 2.489 -15.815 -7.265 1.00 0.62 N ATOM 1633 CA VAL A 97 2.674 -14.390 -7.483 1.00 0.57 C ATOM 1634 C VAL A 97 4.026 -14.084 -8.105 1.00 0.54 C ATOM 1635 O VAL A 97 4.126 -13.241 -8.982 1.00 0.59 O ATOM 1636 CB VAL A 97 2.479 -13.593 -6.181 1.00 0.60 C ATOM 1637 CG1 VAL A 97 3.779 -13.422 -5.472 1.00 0.97 C ATOM 1638 CG2 VAL A 97 1.846 -12.248 -6.461 1.00 0.93 C ATOM 0 H VAL A 97 2.181 -16.048 -6.321 1.00 0.62 H new ATOM 0 HA VAL A 97 1.907 -14.075 -8.191 1.00 0.57 H new ATOM 0 HB VAL A 97 1.805 -14.157 -5.536 1.00 0.60 H new ATOM 0 HG11 VAL A 97 3.621 -12.856 -4.554 1.00 0.97 H new ATOM 0 HG12 VAL A 97 4.192 -14.401 -5.228 1.00 0.97 H new ATOM 0 HG13 VAL A 97 4.476 -12.884 -6.115 1.00 0.97 H new ATOM 0 HG21 VAL A 97 1.719 -11.704 -5.525 1.00 0.93 H new ATOM 0 HG22 VAL A 97 2.489 -11.675 -7.129 1.00 0.93 H new ATOM 0 HG23 VAL A 97 0.873 -12.394 -6.931 1.00 0.93 H new ATOM 1648 N GLU A 98 5.051 -14.794 -7.686 1.00 0.53 N ATOM 1649 CA GLU A 98 6.382 -14.548 -8.204 1.00 0.57 C ATOM 1650 C GLU A 98 6.518 -15.031 -9.643 1.00 0.52 C ATOM 1651 O GLU A 98 7.175 -14.380 -10.455 1.00 0.53 O ATOM 1652 CB GLU A 98 7.421 -15.170 -7.282 1.00 0.68 C ATOM 1653 CG GLU A 98 7.495 -14.431 -5.956 1.00 0.81 C ATOM 1654 CD GLU A 98 8.422 -15.072 -4.947 1.00 1.31 C ATOM 1655 OE1 GLU A 98 9.436 -15.672 -5.351 1.00 1.65 O ATOM 1656 OE2 GLU A 98 8.148 -14.953 -3.731 1.00 2.03 O ATOM 0 H GLU A 98 4.991 -15.541 -6.994 1.00 0.53 H new ATOM 0 HA GLU A 98 6.558 -13.473 -8.227 1.00 0.57 H new ATOM 0 HB2 GLU A 98 7.173 -16.216 -7.104 1.00 0.68 H new ATOM 0 HB3 GLU A 98 8.397 -15.152 -7.766 1.00 0.68 H new ATOM 0 HG2 GLU A 98 7.825 -13.408 -6.139 1.00 0.81 H new ATOM 0 HG3 GLU A 98 6.494 -14.371 -5.528 1.00 0.81 H new ATOM 1663 N GLU A 99 5.891 -16.156 -9.966 1.00 0.49 N ATOM 1664 CA GLU A 99 5.810 -16.611 -11.349 1.00 0.49 C ATOM 1665 C GLU A 99 5.063 -15.581 -12.193 1.00 0.48 C ATOM 1666 O GLU A 99 5.491 -15.236 -13.292 1.00 0.51 O ATOM 1667 CB GLU A 99 5.094 -17.960 -11.438 1.00 0.52 C ATOM 1668 CG GLU A 99 5.859 -19.113 -10.805 1.00 0.91 C ATOM 1669 CD GLU A 99 5.145 -20.438 -10.973 1.00 1.68 C ATOM 1670 OE1 GLU A 99 4.431 -20.611 -11.987 1.00 1.82 O ATOM 1671 OE2 GLU A 99 5.284 -21.314 -10.094 1.00 2.48 O ATOM 0 H GLU A 99 5.432 -16.768 -9.291 1.00 0.49 H new ATOM 0 HA GLU A 99 6.825 -16.729 -11.729 1.00 0.49 H new ATOM 0 HB2 GLU A 99 4.121 -17.875 -10.955 1.00 0.52 H new ATOM 0 HB3 GLU A 99 4.910 -18.193 -12.487 1.00 0.52 H new ATOM 0 HG2 GLU A 99 6.850 -19.178 -11.253 1.00 0.91 H new ATOM 0 HG3 GLU A 99 6.002 -18.912 -9.743 1.00 0.91 H new ATOM 1678 N ALA A 100 3.956 -15.082 -11.655 1.00 0.49 N ATOM 1679 CA ALA A 100 3.148 -14.084 -12.343 1.00 0.55 C ATOM 1680 C ALA A 100 3.930 -12.782 -12.532 1.00 0.54 C ATOM 1681 O ALA A 100 4.001 -12.244 -13.637 1.00 0.58 O ATOM 1682 CB ALA A 100 1.865 -13.830 -11.567 1.00 0.63 C ATOM 0 H ALA A 100 3.597 -15.354 -10.740 1.00 0.49 H new ATOM 0 HA ALA A 100 2.893 -14.467 -13.331 1.00 0.55 H new ATOM 0 HB1 ALA A 100 1.267 -13.083 -12.088 1.00 0.63 H new ATOM 0 HB2 ALA A 100 1.298 -14.758 -11.487 1.00 0.63 H new ATOM 0 HB3 ALA A 100 2.109 -13.467 -10.569 1.00 0.63 H new ATOM 1688 N LEU A 101 4.515 -12.294 -11.443 1.00 0.51 N ATOM 1689 CA LEU A 101 5.330 -11.084 -11.455 1.00 0.53 C ATOM 1690 C LEU A 101 6.542 -11.220 -12.366 1.00 0.51 C ATOM 1691 O LEU A 101 7.162 -10.227 -12.723 1.00 0.53 O ATOM 1692 CB LEU A 101 5.798 -10.757 -10.038 1.00 0.53 C ATOM 1693 CG LEU A 101 4.837 -9.921 -9.180 1.00 0.66 C ATOM 1694 CD1 LEU A 101 4.919 -8.451 -9.562 1.00 1.40 C ATOM 1695 CD2 LEU A 101 3.402 -10.405 -9.309 1.00 1.28 C ATOM 0 H LEU A 101 4.437 -12.728 -10.523 1.00 0.51 H new ATOM 0 HA LEU A 101 4.707 -10.277 -11.841 1.00 0.53 H new ATOM 0 HB2 LEU A 101 5.994 -11.694 -9.518 1.00 0.53 H new ATOM 0 HB3 LEU A 101 6.747 -10.225 -10.105 1.00 0.53 H new ATOM 0 HG LEU A 101 5.144 -10.041 -8.141 1.00 0.66 H new ATOM 0 HD11 LEU A 101 4.231 -7.875 -8.943 1.00 1.40 H new ATOM 0 HD12 LEU A 101 5.936 -8.091 -9.406 1.00 1.40 H new ATOM 0 HD13 LEU A 101 4.649 -8.332 -10.611 1.00 1.40 H new ATOM 0 HD21 LEU A 101 2.753 -9.789 -8.687 1.00 1.28 H new ATOM 0 HD22 LEU A 101 3.085 -10.331 -10.349 1.00 1.28 H new ATOM 0 HD23 LEU A 101 3.337 -11.443 -8.983 1.00 1.28 H new ATOM 1707 N HIS A 102 6.920 -12.434 -12.714 1.00 0.51 N ATOM 1708 CA HIS A 102 7.985 -12.597 -13.683 1.00 0.53 C ATOM 1709 C HIS A 102 7.412 -12.702 -15.087 1.00 0.56 C ATOM 1710 O HIS A 102 7.865 -11.993 -15.988 1.00 0.57 O ATOM 1711 CB HIS A 102 8.890 -13.772 -13.334 1.00 0.55 C ATOM 1712 CG HIS A 102 9.938 -13.416 -12.328 1.00 1.07 C ATOM 1713 ND1 HIS A 102 11.281 -13.350 -12.629 1.00 1.95 N ATOM 1714 CD2 HIS A 102 9.832 -13.085 -11.020 1.00 1.39 C ATOM 1715 CE1 HIS A 102 11.952 -12.994 -11.549 1.00 2.48 C ATOM 1716 NE2 HIS A 102 11.097 -12.825 -10.561 1.00 2.14 N ATOM 0 H HIS A 102 6.519 -13.300 -12.353 1.00 0.51 H new ATOM 0 HA HIS A 102 8.617 -11.709 -13.651 1.00 0.53 H new ATOM 0 HB2 HIS A 102 8.283 -14.590 -12.946 1.00 0.55 H new ATOM 0 HB3 HIS A 102 9.372 -14.136 -14.241 1.00 0.55 H new ATOM 0 HD2 HIS A 102 8.920 -13.035 -10.444 1.00 1.39 H new ATOM 0 HE1 HIS A 102 13.022 -12.863 -11.486 1.00 2.48 H new ATOM 0 HE2 HIS A 102 11.337 -12.546 -9.610 1.00 2.14 H new ATOM 1725 N ALA A 103 6.432 -13.584 -15.281 1.00 0.58 N ATOM 1726 CA ALA A 103 5.925 -13.910 -16.615 1.00 0.61 C ATOM 1727 C ALA A 103 5.277 -12.714 -17.331 1.00 0.61 C ATOM 1728 O ALA A 103 4.892 -12.834 -18.494 1.00 0.64 O ATOM 1729 CB ALA A 103 4.952 -15.076 -16.528 1.00 0.63 C ATOM 0 H ALA A 103 5.970 -14.089 -14.525 1.00 0.58 H new ATOM 0 HA ALA A 103 6.786 -14.192 -17.221 1.00 0.61 H new ATOM 0 HB1 ALA A 103 4.579 -15.313 -17.524 1.00 0.63 H new ATOM 0 HB2 ALA A 103 5.463 -15.946 -16.115 1.00 0.63 H new ATOM 0 HB3 ALA A 103 4.117 -14.805 -15.882 1.00 0.63 H new ATOM 1735 N VAL A 104 5.159 -11.576 -16.659 1.00 0.60 N ATOM 1736 CA VAL A 104 4.604 -10.392 -17.264 1.00 0.63 C ATOM 1737 C VAL A 104 5.524 -9.868 -18.358 1.00 0.76 C ATOM 1738 O VAL A 104 5.249 -10.050 -19.538 1.00 1.68 O ATOM 1739 CB VAL A 104 4.323 -9.314 -16.182 1.00 0.57 C ATOM 1740 CG1 VAL A 104 5.312 -9.425 -15.046 1.00 0.60 C ATOM 1741 CG2 VAL A 104 4.329 -7.893 -16.744 1.00 0.51 C ATOM 0 H VAL A 104 5.445 -11.457 -15.687 1.00 0.60 H new ATOM 0 HA VAL A 104 3.653 -10.647 -17.732 1.00 0.63 H new ATOM 0 HB VAL A 104 3.318 -9.508 -15.808 1.00 0.57 H new ATOM 0 HG11 VAL A 104 5.096 -8.660 -14.300 1.00 0.60 H new ATOM 0 HG12 VAL A 104 5.232 -10.411 -14.589 1.00 0.60 H new ATOM 0 HG13 VAL A 104 6.323 -9.284 -15.429 1.00 0.60 H new ATOM 0 HG21 VAL A 104 4.127 -7.184 -15.942 1.00 0.51 H new ATOM 0 HG22 VAL A 104 5.304 -7.679 -17.181 1.00 0.51 H new ATOM 0 HG23 VAL A 104 3.560 -7.802 -17.511 1.00 0.51 H new ATOM 1751 N THR A 105 6.576 -9.187 -17.926 1.00 0.77 N ATOM 1752 CA THR A 105 7.598 -8.632 -18.801 1.00 0.79 C ATOM 1753 C THR A 105 7.094 -7.413 -19.565 1.00 0.75 C ATOM 1754 O THR A 105 6.052 -7.438 -20.223 1.00 0.95 O ATOM 1755 CB THR A 105 8.213 -9.669 -19.785 1.00 0.94 C ATOM 1756 OG1 THR A 105 7.323 -9.971 -20.863 1.00 0.88 O ATOM 1757 CG2 THR A 105 8.565 -10.953 -19.052 1.00 1.03 C ATOM 0 H THR A 105 6.746 -9.001 -16.938 1.00 0.77 H new ATOM 0 HA THR A 105 8.400 -8.320 -18.132 1.00 0.79 H new ATOM 0 HB THR A 105 9.116 -9.221 -20.200 1.00 0.94 H new ATOM 0 HG1 THR A 105 6.396 -9.874 -20.559 1.00 0.88 H new ATOM 0 HG21 THR A 105 8.994 -11.667 -19.755 1.00 1.03 H new ATOM 0 HG22 THR A 105 9.289 -10.737 -18.267 1.00 1.03 H new ATOM 0 HG23 THR A 105 7.664 -11.377 -18.608 1.00 1.03 H new ATOM 1765 N ASP A 106 7.925 -6.385 -19.435 1.00 0.77 N ATOM 1766 CA ASP A 106 7.772 -5.090 -20.108 1.00 0.79 C ATOM 1767 C ASP A 106 8.267 -4.039 -19.146 1.00 0.73 C ATOM 1768 O ASP A 106 7.999 -4.124 -17.950 1.00 0.72 O ATOM 1769 CB ASP A 106 6.310 -4.756 -20.420 1.00 0.79 C ATOM 1770 CG ASP A 106 6.136 -3.387 -21.052 1.00 1.35 C ATOM 1771 OD1 ASP A 106 6.053 -2.385 -20.307 1.00 2.07 O ATOM 1772 OD2 ASP A 106 6.072 -3.300 -22.293 1.00 1.38 O ATOM 0 H ASP A 106 8.752 -6.426 -18.840 1.00 0.77 H new ATOM 0 HA ASP A 106 8.322 -5.124 -21.048 1.00 0.79 H new ATOM 0 HB2 ASP A 106 5.905 -5.514 -21.091 1.00 0.79 H new ATOM 0 HB3 ASP A 106 5.728 -4.802 -19.499 1.00 0.79 H new ATOM 1777 N GLU A 107 9.009 -3.077 -19.655 1.00 0.71 N ATOM 1778 CA GLU A 107 9.823 -2.218 -18.817 1.00 0.69 C ATOM 1779 C GLU A 107 9.007 -1.473 -17.766 1.00 0.66 C ATOM 1780 O GLU A 107 9.390 -1.421 -16.594 1.00 0.63 O ATOM 1781 CB GLU A 107 10.606 -1.229 -19.683 1.00 0.73 C ATOM 1782 CG GLU A 107 11.607 -0.380 -18.911 1.00 1.63 C ATOM 1783 CD GLU A 107 12.710 -1.204 -18.281 1.00 2.35 C ATOM 1784 OE1 GLU A 107 13.573 -1.722 -19.020 1.00 2.65 O ATOM 1785 OE2 GLU A 107 12.719 -1.346 -17.039 1.00 3.18 O ATOM 0 H GLU A 107 9.066 -2.869 -20.652 1.00 0.71 H new ATOM 0 HA GLU A 107 10.517 -2.862 -18.277 1.00 0.69 H new ATOM 0 HB2 GLU A 107 11.137 -1.783 -20.457 1.00 0.73 H new ATOM 0 HB3 GLU A 107 9.901 -0.569 -20.189 1.00 0.73 H new ATOM 0 HG2 GLU A 107 12.048 0.356 -19.584 1.00 1.63 H new ATOM 0 HG3 GLU A 107 11.083 0.174 -18.132 1.00 1.63 H new ATOM 1792 N GLU A 108 7.865 -0.923 -18.176 1.00 0.67 N ATOM 1793 CA GLU A 108 6.996 -0.193 -17.262 1.00 0.66 C ATOM 1794 C GLU A 108 6.264 -1.143 -16.316 1.00 0.58 C ATOM 1795 O GLU A 108 6.032 -0.812 -15.158 1.00 0.54 O ATOM 1796 CB GLU A 108 5.992 0.642 -18.049 1.00 0.76 C ATOM 1797 CG GLU A 108 6.647 1.642 -18.985 1.00 1.46 C ATOM 1798 CD GLU A 108 5.643 2.408 -19.817 1.00 2.09 C ATOM 1799 OE1 GLU A 108 5.300 1.937 -20.922 1.00 2.78 O ATOM 1800 OE2 GLU A 108 5.196 3.486 -19.376 1.00 2.40 O ATOM 0 H GLU A 108 7.522 -0.971 -19.136 1.00 0.67 H new ATOM 0 HA GLU A 108 7.618 0.468 -16.659 1.00 0.66 H new ATOM 0 HB2 GLU A 108 5.352 -0.023 -18.629 1.00 0.76 H new ATOM 0 HB3 GLU A 108 5.347 1.176 -17.351 1.00 0.76 H new ATOM 0 HG2 GLU A 108 7.240 2.345 -18.401 1.00 1.46 H new ATOM 0 HG3 GLU A 108 7.336 1.117 -19.647 1.00 1.46 H new ATOM 1807 N LYS A 109 5.881 -2.315 -16.808 1.00 0.59 N ATOM 1808 CA LYS A 109 5.307 -3.349 -15.964 1.00 0.55 C ATOM 1809 C LYS A 109 6.301 -3.741 -14.875 1.00 0.51 C ATOM 1810 O LYS A 109 5.998 -3.711 -13.680 1.00 0.48 O ATOM 1811 CB LYS A 109 4.969 -4.575 -16.813 1.00 0.58 C ATOM 1812 CG LYS A 109 3.608 -4.528 -17.502 1.00 0.65 C ATOM 1813 CD LYS A 109 3.474 -3.358 -18.458 1.00 1.22 C ATOM 1814 CE LYS A 109 2.143 -3.396 -19.195 1.00 1.11 C ATOM 1815 NZ LYS A 109 2.017 -2.280 -20.167 1.00 1.81 N ATOM 0 H LYS A 109 5.959 -2.571 -17.792 1.00 0.59 H new ATOM 0 HA LYS A 109 4.398 -2.967 -15.499 1.00 0.55 H new ATOM 0 HB2 LYS A 109 5.740 -4.695 -17.574 1.00 0.58 H new ATOM 0 HB3 LYS A 109 5.007 -5.460 -16.178 1.00 0.58 H new ATOM 0 HG2 LYS A 109 3.450 -5.458 -18.048 1.00 0.65 H new ATOM 0 HG3 LYS A 109 2.825 -4.465 -16.746 1.00 0.65 H new ATOM 0 HD2 LYS A 109 3.560 -2.422 -17.905 1.00 1.22 H new ATOM 0 HD3 LYS A 109 4.292 -3.379 -19.178 1.00 1.22 H new ATOM 0 HE2 LYS A 109 2.045 -4.347 -19.719 1.00 1.11 H new ATOM 0 HE3 LYS A 109 1.327 -3.344 -18.474 1.00 1.11 H new ATOM 0 HZ1 LYS A 109 1.097 -2.341 -20.648 1.00 1.81 H new ATOM 0 HZ2 LYS A 109 2.085 -1.372 -19.664 1.00 1.81 H new ATOM 0 HZ3 LYS A 109 2.781 -2.344 -20.870 1.00 1.81 H new ATOM 1829 N LYS A 110 7.493 -4.096 -15.311 1.00 0.53 N ATOM 1830 CA LYS A 110 8.588 -4.452 -14.417 1.00 0.53 C ATOM 1831 C LYS A 110 9.042 -3.271 -13.553 1.00 0.51 C ATOM 1832 O LYS A 110 9.774 -3.439 -12.577 1.00 0.51 O ATOM 1833 CB LYS A 110 9.771 -4.970 -15.239 1.00 0.56 C ATOM 1834 CG LYS A 110 9.447 -6.195 -16.082 1.00 0.62 C ATOM 1835 CD LYS A 110 10.662 -6.677 -16.861 1.00 0.80 C ATOM 1836 CE LYS A 110 11.038 -5.711 -17.973 1.00 0.81 C ATOM 1837 NZ LYS A 110 12.260 -6.143 -18.699 1.00 1.14 N ATOM 0 H LYS A 110 7.735 -4.147 -16.300 1.00 0.53 H new ATOM 0 HA LYS A 110 8.223 -5.228 -13.744 1.00 0.53 H new ATOM 0 HB2 LYS A 110 10.122 -4.173 -15.894 1.00 0.56 H new ATOM 0 HB3 LYS A 110 10.592 -5.212 -14.564 1.00 0.56 H new ATOM 0 HG2 LYS A 110 9.087 -6.996 -15.437 1.00 0.62 H new ATOM 0 HG3 LYS A 110 8.640 -5.957 -16.776 1.00 0.62 H new ATOM 0 HD2 LYS A 110 11.506 -6.796 -16.182 1.00 0.80 H new ATOM 0 HD3 LYS A 110 10.455 -7.659 -17.287 1.00 0.80 H new ATOM 0 HE2 LYS A 110 10.209 -5.628 -18.676 1.00 0.81 H new ATOM 0 HE3 LYS A 110 11.199 -4.719 -17.552 1.00 0.81 H new ATOM 0 HZ1 LYS A 110 12.480 -5.456 -19.448 1.00 1.14 H new ATOM 0 HZ2 LYS A 110 13.058 -6.197 -18.034 1.00 1.14 H new ATOM 0 HZ3 LYS A 110 12.099 -7.079 -19.124 1.00 1.14 H new ATOM 1851 N GLN A 111 8.559 -2.088 -13.910 1.00 0.51 N ATOM 1852 CA GLN A 111 8.750 -0.913 -13.065 1.00 0.51 C ATOM 1853 C GLN A 111 7.943 -1.088 -11.777 1.00 0.50 C ATOM 1854 O GLN A 111 8.438 -0.835 -10.694 1.00 0.51 O ATOM 1855 CB GLN A 111 8.338 0.364 -13.815 1.00 0.52 C ATOM 1856 CG GLN A 111 8.916 1.673 -13.270 1.00 1.08 C ATOM 1857 CD GLN A 111 8.240 2.166 -12.001 1.00 1.23 C ATOM 1858 OE1 GLN A 111 7.215 2.844 -12.055 1.00 1.69 O ATOM 1859 NE2 GLN A 111 8.836 1.878 -10.857 1.00 1.61 N ATOM 0 H GLN A 111 8.037 -1.916 -14.769 1.00 0.51 H new ATOM 0 HA GLN A 111 9.805 -0.812 -12.809 1.00 0.51 H new ATOM 0 HB2 GLN A 111 8.638 0.263 -14.858 1.00 0.52 H new ATOM 0 HB3 GLN A 111 7.250 0.436 -13.802 1.00 0.52 H new ATOM 0 HG2 GLN A 111 9.979 1.535 -13.073 1.00 1.08 H new ATOM 0 HG3 GLN A 111 8.832 2.443 -14.037 1.00 1.08 H new ATOM 0 HE21 GLN A 111 9.685 1.313 -10.852 1.00 1.61 H new ATOM 0 HE22 GLN A 111 8.447 2.221 -9.979 1.00 1.61 H new ATOM 1868 N TYR A 112 6.730 -1.629 -11.911 1.00 0.50 N ATOM 1869 CA TYR A 112 5.855 -1.883 -10.761 1.00 0.49 C ATOM 1870 C TYR A 112 6.384 -3.072 -9.972 1.00 0.49 C ATOM 1871 O TYR A 112 6.270 -3.136 -8.747 1.00 0.50 O ATOM 1872 CB TYR A 112 4.429 -2.186 -11.230 1.00 0.49 C ATOM 1873 CG TYR A 112 3.853 -1.155 -12.172 1.00 0.57 C ATOM 1874 CD1 TYR A 112 3.732 0.168 -11.776 1.00 0.70 C ATOM 1875 CD2 TYR A 112 3.438 -1.499 -13.450 1.00 0.66 C ATOM 1876 CE1 TYR A 112 3.209 1.122 -12.625 1.00 0.82 C ATOM 1877 CE2 TYR A 112 2.914 -0.550 -14.309 1.00 0.75 C ATOM 1878 CZ TYR A 112 2.788 0.725 -13.919 1.00 0.80 C ATOM 1879 OH TYR A 112 2.279 1.708 -14.738 1.00 0.92 O ATOM 0 H TYR A 112 6.329 -1.901 -12.808 1.00 0.50 H new ATOM 0 HA TYR A 112 5.841 -0.994 -10.131 1.00 0.49 H new ATOM 0 HB2 TYR A 112 4.420 -3.158 -11.724 1.00 0.49 H new ATOM 0 HB3 TYR A 112 3.781 -2.266 -10.357 1.00 0.49 H new ATOM 0 HD1 TYR A 112 4.053 0.457 -10.786 1.00 0.70 H new ATOM 0 HD2 TYR A 112 3.525 -2.524 -13.779 1.00 0.66 H new ATOM 0 HE1 TYR A 112 3.122 2.151 -12.310 1.00 0.82 H new ATOM 0 HE2 TYR A 112 2.604 -0.839 -15.302 1.00 0.75 H new ATOM 0 HH TYR A 112 1.480 1.372 -15.195 1.00 0.92 H new ATOM 1889 N ILE A 113 6.965 -4.015 -10.694 1.00 0.49 N ATOM 1890 CA ILE A 113 7.542 -5.196 -10.080 1.00 0.51 C ATOM 1891 C ILE A 113 8.672 -4.805 -9.119 1.00 0.53 C ATOM 1892 O ILE A 113 8.768 -5.316 -8.004 1.00 0.54 O ATOM 1893 CB ILE A 113 8.087 -6.151 -11.147 1.00 0.57 C ATOM 1894 CG1 ILE A 113 6.973 -6.482 -12.137 1.00 0.63 C ATOM 1895 CG2 ILE A 113 8.647 -7.413 -10.507 1.00 0.59 C ATOM 1896 CD1 ILE A 113 7.418 -7.395 -13.243 1.00 0.72 C ATOM 0 H ILE A 113 7.049 -3.984 -11.710 1.00 0.49 H new ATOM 0 HA ILE A 113 6.754 -5.701 -9.521 1.00 0.51 H new ATOM 0 HB ILE A 113 8.905 -5.669 -11.681 1.00 0.57 H new ATOM 0 HG12 ILE A 113 6.146 -6.947 -11.601 1.00 0.63 H new ATOM 0 HG13 ILE A 113 6.593 -5.556 -12.569 1.00 0.63 H new ATOM 0 HG21 ILE A 113 9.028 -8.076 -11.283 1.00 0.59 H new ATOM 0 HG22 ILE A 113 9.456 -7.148 -9.827 1.00 0.59 H new ATOM 0 HG23 ILE A 113 7.858 -7.920 -9.952 1.00 0.59 H new ATOM 0 HD11 ILE A 113 6.580 -7.591 -13.912 1.00 0.72 H new ATOM 0 HD12 ILE A 113 8.226 -6.923 -13.802 1.00 0.72 H new ATOM 0 HD13 ILE A 113 7.772 -8.335 -12.819 1.00 0.72 H new ATOM 1908 N ALA A 114 9.526 -3.891 -9.575 1.00 0.56 N ATOM 1909 CA ALA A 114 10.590 -3.317 -8.749 1.00 0.59 C ATOM 1910 C ALA A 114 10.014 -2.331 -7.737 1.00 0.59 C ATOM 1911 O ALA A 114 10.501 -2.230 -6.611 1.00 0.60 O ATOM 1912 CB ALA A 114 11.598 -2.607 -9.643 1.00 0.63 C ATOM 0 H ALA A 114 9.501 -3.526 -10.527 1.00 0.56 H new ATOM 0 HA ALA A 114 11.084 -4.121 -8.204 1.00 0.59 H new ATOM 0 HB1 ALA A 114 12.391 -2.179 -9.029 1.00 0.63 H new ATOM 0 HB2 ALA A 114 12.028 -3.321 -10.345 1.00 0.63 H new ATOM 0 HB3 ALA A 114 11.098 -1.812 -10.195 1.00 0.63 H new ATOM 1918 N ASP A 115 8.979 -1.620 -8.141 1.00 0.61 N ATOM 1919 CA ASP A 115 8.416 -0.539 -7.339 1.00 0.66 C ATOM 1920 C ASP A 115 7.623 -1.083 -6.161 1.00 0.60 C ATOM 1921 O ASP A 115 7.939 -0.825 -4.997 1.00 0.59 O ATOM 1922 CB ASP A 115 7.499 0.306 -8.222 1.00 0.77 C ATOM 1923 CG ASP A 115 7.087 1.610 -7.595 1.00 1.03 C ATOM 1924 OD1 ASP A 115 7.857 2.589 -7.687 1.00 1.20 O ATOM 1925 OD2 ASP A 115 6.010 1.651 -6.966 1.00 1.73 O ATOM 0 H ASP A 115 8.503 -1.771 -9.030 1.00 0.61 H new ATOM 0 HA ASP A 115 9.233 0.067 -6.947 1.00 0.66 H new ATOM 0 HB2 ASP A 115 8.006 0.511 -9.165 1.00 0.77 H new ATOM 0 HB3 ASP A 115 6.605 -0.271 -8.459 1.00 0.77 H new ATOM 1930 N PHE A 116 6.609 -1.860 -6.482 1.00 0.60 N ATOM 1931 CA PHE A 116 5.689 -2.342 -5.473 1.00 0.60 C ATOM 1932 C PHE A 116 6.020 -3.752 -5.036 1.00 0.56 C ATOM 1933 O PHE A 116 5.660 -4.140 -3.938 1.00 0.55 O ATOM 1934 CB PHE A 116 4.254 -2.271 -5.972 1.00 0.68 C ATOM 1935 CG PHE A 116 3.381 -1.427 -5.105 1.00 0.53 C ATOM 1936 CD1 PHE A 116 3.300 -0.060 -5.301 1.00 1.11 C ATOM 1937 CD2 PHE A 116 2.639 -2.009 -4.098 1.00 1.01 C ATOM 1938 CE1 PHE A 116 2.489 0.719 -4.504 1.00 1.62 C ATOM 1939 CE2 PHE A 116 1.822 -1.234 -3.292 1.00 1.29 C ATOM 1940 CZ PHE A 116 1.770 0.144 -3.484 1.00 1.52 C ATOM 0 H PHE A 116 6.402 -2.171 -7.431 1.00 0.60 H new ATOM 0 HA PHE A 116 5.794 -1.691 -4.605 1.00 0.60 H new ATOM 0 HB2 PHE A 116 4.246 -1.871 -6.986 1.00 0.68 H new ATOM 0 HB3 PHE A 116 3.842 -3.279 -6.023 1.00 0.68 H new ATOM 0 HD1 PHE A 116 3.879 0.402 -6.087 1.00 1.11 H new ATOM 0 HD2 PHE A 116 2.696 -3.075 -3.937 1.00 1.01 H new ATOM 0 HE1 PHE A 116 2.419 1.782 -4.681 1.00 1.62 H new ATOM 0 HE2 PHE A 116 1.228 -1.697 -2.518 1.00 1.29 H new ATOM 0 HZ PHE A 116 1.166 0.759 -2.833 1.00 1.52 H new ATOM 1950 N GLY A 117 6.715 -4.498 -5.884 1.00 0.55 N ATOM 1951 CA GLY A 117 7.012 -5.902 -5.590 1.00 0.56 C ATOM 1952 C GLY A 117 7.484 -6.158 -4.151 1.00 0.54 C ATOM 1953 O GLY A 117 6.789 -6.833 -3.384 1.00 0.55 O ATOM 0 H GLY A 117 7.083 -4.163 -6.774 1.00 0.55 H new ATOM 0 HA2 GLY A 117 6.119 -6.498 -5.779 1.00 0.56 H new ATOM 0 HA3 GLY A 117 7.780 -6.251 -6.280 1.00 0.56 H new ATOM 1957 N PRO A 118 8.655 -5.623 -3.752 1.00 0.52 N ATOM 1958 CA PRO A 118 9.212 -5.826 -2.403 1.00 0.53 C ATOM 1959 C PRO A 118 8.256 -5.412 -1.282 1.00 0.46 C ATOM 1960 O PRO A 118 8.043 -6.159 -0.325 1.00 0.45 O ATOM 1961 CB PRO A 118 10.458 -4.929 -2.380 1.00 0.54 C ATOM 1962 CG PRO A 118 10.327 -4.030 -3.564 1.00 0.65 C ATOM 1963 CD PRO A 118 9.543 -4.800 -4.583 1.00 0.53 C ATOM 0 HA PRO A 118 9.415 -6.882 -2.224 1.00 0.53 H new ATOM 0 HB2 PRO A 118 10.510 -4.354 -1.455 1.00 0.54 H new ATOM 0 HB3 PRO A 118 11.370 -5.523 -2.438 1.00 0.54 H new ATOM 0 HG2 PRO A 118 9.817 -3.105 -3.297 1.00 0.65 H new ATOM 0 HG3 PRO A 118 11.307 -3.753 -3.953 1.00 0.65 H new ATOM 0 HD2 PRO A 118 8.982 -4.141 -5.245 1.00 0.53 H new ATOM 0 HD3 PRO A 118 10.189 -5.411 -5.214 1.00 0.53 H new ATOM 1971 N ALA A 119 7.681 -4.223 -1.407 1.00 0.46 N ATOM 1972 CA ALA A 119 6.787 -3.688 -0.386 1.00 0.42 C ATOM 1973 C ALA A 119 5.486 -4.479 -0.333 1.00 0.44 C ATOM 1974 O ALA A 119 4.916 -4.696 0.732 1.00 0.43 O ATOM 1975 CB ALA A 119 6.491 -2.223 -0.666 1.00 0.41 C ATOM 0 H ALA A 119 7.818 -3.608 -2.209 1.00 0.46 H new ATOM 0 HA ALA A 119 7.283 -3.776 0.581 1.00 0.42 H new ATOM 0 HB1 ALA A 119 5.823 -1.834 0.102 1.00 0.41 H new ATOM 0 HB2 ALA A 119 7.422 -1.656 -0.659 1.00 0.41 H new ATOM 0 HB3 ALA A 119 6.016 -2.128 -1.642 1.00 0.41 H new ATOM 1981 N CYS A 120 5.041 -4.930 -1.496 1.00 0.47 N ATOM 1982 CA CYS A 120 3.887 -5.809 -1.616 1.00 0.50 C ATOM 1983 C CYS A 120 4.125 -7.122 -0.872 1.00 0.52 C ATOM 1984 O CYS A 120 3.185 -7.749 -0.391 1.00 0.53 O ATOM 1985 CB CYS A 120 3.604 -6.092 -3.094 1.00 0.56 C ATOM 1986 SG CYS A 120 2.050 -6.984 -3.417 1.00 1.17 S ATOM 0 H CYS A 120 5.473 -4.695 -2.389 1.00 0.47 H new ATOM 0 HA CYS A 120 3.026 -5.312 -1.170 1.00 0.50 H new ATOM 0 HB2 CYS A 120 3.582 -5.145 -3.633 1.00 0.56 H new ATOM 0 HB3 CYS A 120 4.431 -6.672 -3.503 1.00 0.56 H new ATOM 1991 N LYS A 121 5.387 -7.539 -0.774 1.00 0.54 N ATOM 1992 CA LYS A 121 5.727 -8.778 -0.077 1.00 0.58 C ATOM 1993 C LYS A 121 5.402 -8.707 1.419 1.00 0.59 C ATOM 1994 O LYS A 121 4.930 -9.688 1.992 1.00 0.65 O ATOM 1995 CB LYS A 121 7.201 -9.143 -0.284 1.00 0.63 C ATOM 1996 CG LYS A 121 7.407 -10.431 -1.072 1.00 1.01 C ATOM 1997 CD LYS A 121 6.816 -10.346 -2.472 1.00 1.04 C ATOM 1998 CE LYS A 121 6.861 -11.693 -3.180 1.00 1.37 C ATOM 1999 NZ LYS A 121 8.253 -12.158 -3.421 1.00 1.47 N ATOM 0 H LYS A 121 6.186 -7.040 -1.166 1.00 0.54 H new ATOM 0 HA LYS A 121 5.108 -9.563 -0.513 1.00 0.58 H new ATOM 0 HB2 LYS A 121 7.699 -8.325 -0.805 1.00 0.63 H new ATOM 0 HB3 LYS A 121 7.682 -9.242 0.689 1.00 0.63 H new ATOM 0 HG2 LYS A 121 8.473 -10.646 -1.141 1.00 1.01 H new ATOM 0 HG3 LYS A 121 6.948 -11.261 -0.535 1.00 1.01 H new ATOM 0 HD2 LYS A 121 5.784 -10.000 -2.412 1.00 1.04 H new ATOM 0 HD3 LYS A 121 7.366 -9.608 -3.056 1.00 1.04 H new ATOM 0 HE2 LYS A 121 6.332 -12.434 -2.581 1.00 1.37 H new ATOM 0 HE3 LYS A 121 6.335 -11.618 -4.132 1.00 1.37 H new ATOM 0 HZ1 LYS A 121 8.305 -13.187 -3.280 1.00 1.47 H new ATOM 0 HZ2 LYS A 121 8.532 -11.928 -4.396 1.00 1.47 H new ATOM 0 HZ3 LYS A 121 8.897 -11.685 -2.756 1.00 1.47 H new ATOM 2013 N LYS A 122 5.683 -7.566 2.061 1.00 0.54 N ATOM 2014 CA LYS A 122 5.258 -7.381 3.453 1.00 0.55 C ATOM 2015 C LYS A 122 3.742 -7.188 3.486 1.00 0.53 C ATOM 2016 O LYS A 122 3.090 -7.535 4.470 1.00 0.57 O ATOM 2017 CB LYS A 122 6.001 -6.226 4.152 1.00 0.52 C ATOM 2018 CG LYS A 122 5.781 -4.849 3.547 1.00 0.46 C ATOM 2019 CD LYS A 122 6.610 -3.787 4.266 1.00 0.47 C ATOM 2020 CE LYS A 122 6.152 -3.579 5.705 1.00 1.15 C ATOM 2021 NZ LYS A 122 7.038 -2.641 6.449 1.00 1.50 N ATOM 0 H LYS A 122 6.188 -6.779 1.654 1.00 0.54 H new ATOM 0 HA LYS A 122 5.520 -8.275 4.018 1.00 0.55 H new ATOM 0 HB2 LYS A 122 5.693 -6.198 5.197 1.00 0.52 H new ATOM 0 HB3 LYS A 122 7.069 -6.443 4.140 1.00 0.52 H new ATOM 0 HG2 LYS A 122 6.047 -4.867 2.490 1.00 0.46 H new ATOM 0 HG3 LYS A 122 4.724 -4.589 3.605 1.00 0.46 H new ATOM 0 HD2 LYS A 122 7.660 -4.081 4.259 1.00 0.47 H new ATOM 0 HD3 LYS A 122 6.539 -2.844 3.724 1.00 0.47 H new ATOM 0 HE2 LYS A 122 5.133 -3.192 5.708 1.00 1.15 H new ATOM 0 HE3 LYS A 122 6.130 -4.540 6.220 1.00 1.15 H new ATOM 0 HZ1 LYS A 122 6.591 -2.385 7.353 1.00 1.50 H new ATOM 0 HZ2 LYS A 122 7.953 -3.100 6.633 1.00 1.50 H new ATOM 0 HZ3 LYS A 122 7.189 -1.783 5.882 1.00 1.50 H new ATOM 2035 N ILE A 123 3.191 -6.604 2.430 1.00 0.49 N ATOM 2036 CA ILE A 123 1.758 -6.341 2.359 1.00 0.48 C ATOM 2037 C ILE A 123 0.934 -7.632 2.326 1.00 0.51 C ATOM 2038 O ILE A 123 -0.025 -7.824 3.066 1.00 0.54 O ATOM 2039 CB ILE A 123 1.411 -5.477 1.142 1.00 0.46 C ATOM 2040 CG1 ILE A 123 1.983 -4.076 1.339 1.00 0.44 C ATOM 2041 CG2 ILE A 123 -0.094 -5.418 0.935 1.00 0.47 C ATOM 2042 CD1 ILE A 123 1.715 -3.153 0.182 1.00 0.44 C ATOM 0 H ILE A 123 3.715 -6.302 1.609 1.00 0.49 H new ATOM 0 HA ILE A 123 1.500 -5.797 3.268 1.00 0.48 H new ATOM 0 HB ILE A 123 1.851 -5.922 0.250 1.00 0.46 H new ATOM 0 HG12 ILE A 123 1.560 -3.643 2.245 1.00 0.44 H new ATOM 0 HG13 ILE A 123 3.059 -4.150 1.494 1.00 0.44 H new ATOM 0 HG21 ILE A 123 -0.318 -4.799 0.066 1.00 0.47 H new ATOM 0 HG22 ILE A 123 -0.479 -6.425 0.773 1.00 0.47 H new ATOM 0 HG23 ILE A 123 -0.566 -4.987 1.818 1.00 0.47 H new ATOM 0 HD11 ILE A 123 2.149 -2.175 0.389 1.00 0.44 H new ATOM 0 HD12 ILE A 123 2.162 -3.564 -0.723 1.00 0.44 H new ATOM 0 HD13 ILE A 123 0.639 -3.050 0.040 1.00 0.44 H new ATOM 2054 N TYR A 124 1.378 -8.517 1.449 1.00 0.52 N ATOM 2055 CA TYR A 124 0.885 -9.885 1.321 1.00 0.58 C ATOM 2056 C TYR A 124 1.513 -10.786 2.383 1.00 0.64 C ATOM 2057 O TYR A 124 1.410 -11.998 2.279 1.00 0.82 O ATOM 2058 CB TYR A 124 1.150 -10.428 -0.084 1.00 0.59 C ATOM 2059 CG TYR A 124 0.096 -10.019 -1.091 1.00 0.63 C ATOM 2060 CD1 TYR A 124 -0.078 -8.688 -1.449 1.00 0.95 C ATOM 2061 CD2 TYR A 124 -0.729 -10.967 -1.685 1.00 1.14 C ATOM 2062 CE1 TYR A 124 -1.043 -8.313 -2.366 1.00 1.05 C ATOM 2063 CE2 TYR A 124 -1.695 -10.601 -2.603 1.00 1.28 C ATOM 2064 CZ TYR A 124 -1.847 -9.272 -2.939 1.00 0.95 C ATOM 2065 OH TYR A 124 -2.809 -8.901 -3.851 1.00 1.17 O ATOM 0 H TYR A 124 2.118 -8.298 0.782 1.00 0.52 H new ATOM 0 HA TYR A 124 -0.193 -9.876 1.480 1.00 0.58 H new ATOM 0 HB2 TYR A 124 2.124 -10.077 -0.424 1.00 0.59 H new ATOM 0 HB3 TYR A 124 1.200 -11.516 -0.042 1.00 0.59 H new ATOM 0 HD1 TYR A 124 0.552 -7.932 -1.003 1.00 0.95 H new ATOM 0 HD2 TYR A 124 -0.613 -12.009 -1.424 1.00 1.14 H new ATOM 0 HE1 TYR A 124 -1.165 -7.273 -2.631 1.00 1.05 H new ATOM 0 HE2 TYR A 124 -2.327 -11.351 -3.055 1.00 1.28 H new ATOM 0 HH TYR A 124 -3.289 -9.697 -4.162 1.00 1.17 H new ATOM 2075 N GLY A 125 1.967 -10.139 3.468 1.00 0.73 N ATOM 2076 CA GLY A 125 3.109 -10.499 4.347 1.00 0.86 C ATOM 2077 C GLY A 125 3.667 -11.924 4.319 1.00 0.71 C ATOM 2078 O GLY A 125 4.194 -12.403 5.320 1.00 0.78 O ATOM 0 H GLY A 125 1.514 -9.282 3.785 1.00 0.73 H new ATOM 0 HA2 GLY A 125 3.930 -9.823 4.108 1.00 0.86 H new ATOM 0 HA3 GLY A 125 2.810 -10.286 5.373 1.00 0.86 H new ATOM 2082 N VAL A 126 3.563 -12.580 3.186 1.00 0.71 N ATOM 2083 CA VAL A 126 4.193 -13.878 2.933 1.00 0.84 C ATOM 2084 C VAL A 126 5.711 -13.835 3.137 1.00 0.99 C ATOM 2085 O VAL A 126 6.375 -14.873 3.149 1.00 1.53 O ATOM 2086 CB VAL A 126 3.923 -14.340 1.484 1.00 0.93 C ATOM 2087 CG1 VAL A 126 2.460 -14.700 1.291 1.00 1.38 C ATOM 2088 CG2 VAL A 126 4.341 -13.257 0.493 1.00 0.98 C ATOM 0 H VAL A 126 3.029 -12.228 2.391 1.00 0.71 H new ATOM 0 HA VAL A 126 3.756 -14.574 3.649 1.00 0.84 H new ATOM 0 HB VAL A 126 4.519 -15.233 1.297 1.00 0.93 H new ATOM 0 HG11 VAL A 126 2.297 -15.022 0.262 1.00 1.38 H new ATOM 0 HG12 VAL A 126 2.191 -15.508 1.971 1.00 1.38 H new ATOM 0 HG13 VAL A 126 1.840 -13.828 1.501 1.00 1.38 H new ATOM 0 HG21 VAL A 126 4.144 -13.598 -0.523 1.00 0.98 H new ATOM 0 HG22 VAL A 126 3.772 -12.347 0.687 1.00 0.98 H new ATOM 0 HG23 VAL A 126 5.405 -13.051 0.607 1.00 0.98 H new