USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 637 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 36 MET CE :methyl 150:sc= -0.143 (180deg=-0.967) USER MOD Set 1.2: A 51 MET CE :methyl -154:sc= -1.78 (180deg=-4.09!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 77:sc= 0.856 USER MOD Single : A 21 LYS NZ :NH3+ -137:sc= 1.52 (180deg=0.384) USER MOD Single : A 26 THR OG1 : rot 16:sc= 1.12 USER MOD Single : A 28 THR OG1 : rot -18:sc= 1.19 USER MOD Single : A 29 THR OG1 : rot 84:sc= 0.162 USER MOD Single : A 30 LYS NZ :NH3+ -144:sc= 1.25 (180deg=1.07) USER MOD Single : A 34 THR OG1 : rot -99:sc= -0.133 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0414 K(o=-0.041,f=-5!) USER MOD Single : A 42 ASN : amide:sc= -0.545 X(o=-0.55,f=-0.48) USER MOD Single : A 44 THR OG1 : rot -92:sc= 1.2 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.027 X(o=-0.027,f=-0.027) USER MOD Single : A 60 ASN : amide:sc= 1.11 K(o=1.1,f=-5.1!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 178:sc= -5.06! (180deg=-5.25!) USER MOD Single : A 72 MET CE :methyl -151:sc= -1.16 (180deg=-3.17!) USER MOD Single : B 290 ASN : amide:sc= -0.933 K(o=-0.93,f=-3.6!) USER MOD Single : B 294 SER OG : rot 180:sc= 0 USER MOD Single : B 297 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 299 LYS NZ :NH3+ 160:sc= 0.885 (180deg=0.498) USER MOD Single : B 301 SER OG : rot 72:sc= 0.638 USER MOD Single : B 302 LYS NZ :NH3+ -156:sc= 1.73 (180deg=1.03) USER MOD Single : B 303 LYS NZ :NH3+ 154:sc= 2.38 (180deg=-0.595) USER MOD Single : B 304 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 305 SER OG : rot 75:sc= 0.751 USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 11 7.387 -7.238 3.366 1.00 0.69 N ATOM 152 CA GLU A 11 6.569 -6.141 3.851 1.00 0.64 C ATOM 153 C GLU A 11 5.878 -5.412 2.709 1.00 0.63 C ATOM 154 O GLU A 11 4.870 -4.730 2.921 1.00 0.64 O ATOM 155 CB GLU A 11 7.418 -5.167 4.658 1.00 0.69 C ATOM 156 CG GLU A 11 7.505 -5.543 6.126 1.00 0.59 C ATOM 157 CD GLU A 11 6.141 -5.580 6.787 1.00 0.65 C ATOM 158 OE1 GLU A 11 5.490 -6.643 6.753 1.00 0.81 O ATOM 159 OE2 GLU A 11 5.705 -4.537 7.327 1.00 1.18 O ATOM 0 HA GLU A 11 5.797 -6.562 4.495 1.00 0.64 H new ATOM 0 HB2 GLU A 11 8.422 -5.131 4.236 1.00 0.69 H new ATOM 0 HB3 GLU A 11 6.999 -4.165 4.568 1.00 0.69 H new ATOM 0 HG2 GLU A 11 7.981 -6.519 6.222 1.00 0.59 H new ATOM 0 HG3 GLU A 11 8.140 -4.826 6.646 1.00 0.59 H new ATOM 166 N PHE A 12 6.418 -5.551 1.500 1.00 0.64 N ATOM 167 CA PHE A 12 5.832 -4.913 0.327 1.00 0.67 C ATOM 168 C PHE A 12 4.573 -5.668 -0.073 1.00 0.66 C ATOM 169 O PHE A 12 3.550 -5.074 -0.399 1.00 0.68 O ATOM 170 CB PHE A 12 6.830 -4.889 -0.836 1.00 0.75 C ATOM 171 CG PHE A 12 8.034 -4.027 -0.588 1.00 0.76 C ATOM 172 CD1 PHE A 12 7.920 -2.831 0.104 1.00 0.98 C ATOM 173 CD2 PHE A 12 9.282 -4.414 -1.047 1.00 1.23 C ATOM 174 CE1 PHE A 12 9.027 -2.041 0.330 1.00 1.03 C ATOM 175 CE2 PHE A 12 10.389 -3.625 -0.823 1.00 1.27 C ATOM 176 CZ PHE A 12 10.261 -2.439 -0.134 1.00 0.88 C ATOM 0 H PHE A 12 7.257 -6.098 1.309 1.00 0.64 H new ATOM 0 HA PHE A 12 5.579 -3.881 0.571 1.00 0.67 H new ATOM 0 HB2 PHE A 12 7.160 -5.908 -1.039 1.00 0.75 H new ATOM 0 HB3 PHE A 12 6.320 -4.535 -1.732 1.00 0.75 H new ATOM 0 HD1 PHE A 12 6.954 -2.515 0.470 1.00 0.98 H new ATOM 0 HD2 PHE A 12 9.389 -5.344 -1.586 1.00 1.23 H new ATOM 0 HE1 PHE A 12 8.927 -1.111 0.870 1.00 1.03 H new ATOM 0 HE2 PHE A 12 11.357 -3.936 -1.187 1.00 1.27 H new ATOM 0 HZ PHE A 12 11.129 -1.821 0.042 1.00 0.88 H new ATOM 186 N LYS A 13 4.654 -6.991 -0.001 1.00 0.65 N ATOM 187 CA LYS A 13 3.531 -7.852 -0.333 1.00 0.66 C ATOM 188 C LYS A 13 2.423 -7.699 0.701 1.00 0.61 C ATOM 189 O LYS A 13 1.251 -7.965 0.425 1.00 0.66 O ATOM 190 CB LYS A 13 3.990 -9.310 -0.423 1.00 0.71 C ATOM 191 CG LYS A 13 4.865 -9.581 -1.637 1.00 0.80 C ATOM 192 CD LYS A 13 5.358 -11.020 -1.659 1.00 0.86 C ATOM 193 CE LYS A 13 6.569 -11.218 -0.754 1.00 0.97 C ATOM 194 NZ LYS A 13 7.250 -12.508 -1.030 1.00 0.99 N ATOM 0 H LYS A 13 5.494 -7.492 0.287 1.00 0.65 H new ATOM 0 HA LYS A 13 3.136 -7.555 -1.305 1.00 0.66 H new ATOM 0 HB2 LYS A 13 4.541 -9.569 0.481 1.00 0.71 H new ATOM 0 HB3 LYS A 13 3.115 -9.959 -0.460 1.00 0.71 H new ATOM 0 HG2 LYS A 13 4.301 -9.375 -2.547 1.00 0.80 H new ATOM 0 HG3 LYS A 13 5.718 -8.903 -1.630 1.00 0.80 H new ATOM 0 HD2 LYS A 13 4.554 -11.684 -1.341 1.00 0.86 H new ATOM 0 HD3 LYS A 13 5.618 -11.300 -2.680 1.00 0.86 H new ATOM 0 HE2 LYS A 13 7.271 -10.397 -0.899 1.00 0.97 H new ATOM 0 HE3 LYS A 13 6.254 -11.188 0.289 1.00 0.97 H new ATOM 0 HZ1 LYS A 13 8.069 -12.611 -0.397 1.00 0.99 H new ATOM 0 HZ2 LYS A 13 6.587 -13.292 -0.868 1.00 0.99 H new ATOM 0 HZ3 LYS A 13 7.572 -12.526 -2.019 1.00 0.99 H new ATOM 208 N GLU A 14 2.802 -7.237 1.884 1.00 0.57 N ATOM 209 CA GLU A 14 1.849 -7.037 2.960 1.00 0.54 C ATOM 210 C GLU A 14 0.921 -5.874 2.640 1.00 0.50 C ATOM 211 O GLU A 14 -0.219 -5.830 3.099 1.00 0.49 O ATOM 212 CB GLU A 14 2.564 -6.767 4.278 1.00 0.52 C ATOM 213 CG GLU A 14 1.779 -7.243 5.479 1.00 0.54 C ATOM 214 CD GLU A 14 1.500 -8.724 5.430 1.00 0.62 C ATOM 215 OE1 GLU A 14 2.452 -9.508 5.625 1.00 1.29 O ATOM 216 OE2 GLU A 14 0.337 -9.116 5.196 1.00 1.28 O ATOM 0 H GLU A 14 3.764 -6.994 2.121 1.00 0.57 H new ATOM 0 HA GLU A 14 1.262 -7.950 3.058 1.00 0.54 H new ATOM 0 HB2 GLU A 14 3.536 -7.260 4.266 1.00 0.52 H new ATOM 0 HB3 GLU A 14 2.750 -5.697 4.372 1.00 0.52 H new ATOM 0 HG2 GLU A 14 2.333 -7.010 6.388 1.00 0.54 H new ATOM 0 HG3 GLU A 14 0.836 -6.699 5.532 1.00 0.54 H new ATOM 223 N ALA A 15 1.407 -4.937 1.838 1.00 0.51 N ATOM 224 CA ALA A 15 0.609 -3.784 1.461 1.00 0.52 C ATOM 225 C ALA A 15 -0.633 -4.244 0.707 1.00 0.50 C ATOM 226 O ALA A 15 -1.745 -3.857 1.037 1.00 0.51 O ATOM 227 CB ALA A 15 1.429 -2.823 0.615 1.00 0.58 C ATOM 0 H ALA A 15 2.345 -4.954 1.439 1.00 0.51 H new ATOM 0 HA ALA A 15 0.297 -3.256 2.362 1.00 0.52 H new ATOM 0 HB1 ALA A 15 0.815 -1.965 0.341 1.00 0.58 H new ATOM 0 HB2 ALA A 15 2.294 -2.484 1.185 1.00 0.58 H new ATOM 0 HB3 ALA A 15 1.766 -3.331 -0.289 1.00 0.58 H new ATOM 233 N PHE A 16 -0.441 -5.126 -0.261 1.00 0.50 N ATOM 234 CA PHE A 16 -1.553 -5.642 -1.066 1.00 0.53 C ATOM 235 C PHE A 16 -2.408 -6.637 -0.275 1.00 0.56 C ATOM 236 O PHE A 16 -3.357 -7.221 -0.803 1.00 0.74 O ATOM 237 CB PHE A 16 -1.019 -6.313 -2.328 1.00 0.60 C ATOM 238 CG PHE A 16 0.042 -5.504 -3.034 1.00 0.64 C ATOM 239 CD1 PHE A 16 -0.297 -4.432 -3.846 1.00 0.78 C ATOM 240 CD2 PHE A 16 1.380 -5.820 -2.885 1.00 0.87 C ATOM 241 CE1 PHE A 16 0.681 -3.697 -4.498 1.00 0.90 C ATOM 242 CE2 PHE A 16 2.359 -5.092 -3.534 1.00 0.98 C ATOM 243 CZ PHE A 16 2.010 -4.031 -4.342 1.00 0.91 C ATOM 0 H PHE A 16 0.472 -5.504 -0.514 1.00 0.50 H new ATOM 0 HA PHE A 16 -2.184 -4.796 -1.339 1.00 0.53 H new ATOM 0 HB2 PHE A 16 -0.608 -7.288 -2.066 1.00 0.60 H new ATOM 0 HB3 PHE A 16 -1.847 -6.490 -3.014 1.00 0.60 H new ATOM 0 HD1 PHE A 16 -1.336 -4.166 -3.972 1.00 0.78 H new ATOM 0 HD2 PHE A 16 1.664 -6.648 -2.252 1.00 0.87 H new ATOM 0 HE1 PHE A 16 0.403 -2.864 -5.127 1.00 0.90 H new ATOM 0 HE2 PHE A 16 3.399 -5.355 -3.408 1.00 0.98 H new ATOM 0 HZ PHE A 16 2.775 -3.463 -4.851 1.00 0.91 H new ATOM 253 N SER A 17 -2.072 -6.820 0.992 1.00 0.49 N ATOM 254 CA SER A 17 -2.800 -7.748 1.846 1.00 0.54 C ATOM 255 C SER A 17 -3.566 -7.022 2.955 1.00 0.51 C ATOM 256 O SER A 17 -4.661 -7.437 3.340 1.00 0.59 O ATOM 257 CB SER A 17 -1.832 -8.763 2.463 1.00 0.62 C ATOM 258 OG SER A 17 -0.996 -9.349 1.471 1.00 0.73 O ATOM 0 H SER A 17 -1.300 -6.339 1.453 1.00 0.49 H new ATOM 0 HA SER A 17 -3.528 -8.266 1.222 1.00 0.54 H new ATOM 0 HB2 SER A 17 -1.216 -8.271 3.216 1.00 0.62 H new ATOM 0 HB3 SER A 17 -2.396 -9.543 2.973 1.00 0.62 H new ATOM 0 HG SER A 17 -0.289 -8.717 1.224 1.00 0.73 H new ATOM 264 N LEU A 18 -2.990 -5.938 3.460 1.00 0.44 N ATOM 265 CA LEU A 18 -3.609 -5.174 4.541 1.00 0.42 C ATOM 266 C LEU A 18 -4.218 -3.865 4.045 1.00 0.41 C ATOM 267 O LEU A 18 -5.159 -3.349 4.640 1.00 0.46 O ATOM 268 CB LEU A 18 -2.577 -4.872 5.630 1.00 0.42 C ATOM 269 CG LEU A 18 -1.968 -6.104 6.307 1.00 0.45 C ATOM 270 CD1 LEU A 18 -0.801 -5.707 7.204 1.00 0.47 C ATOM 271 CD2 LEU A 18 -3.034 -6.844 7.108 1.00 0.55 C ATOM 0 H LEU A 18 -2.096 -5.567 3.140 1.00 0.44 H new ATOM 0 HA LEU A 18 -4.414 -5.787 4.948 1.00 0.42 H new ATOM 0 HB2 LEU A 18 -1.772 -4.282 5.192 1.00 0.42 H new ATOM 0 HB3 LEU A 18 -3.048 -4.252 6.393 1.00 0.42 H new ATOM 0 HG LEU A 18 -1.587 -6.771 5.534 1.00 0.45 H new ATOM 0 HD11 LEU A 18 -0.384 -6.598 7.674 1.00 0.47 H new ATOM 0 HD12 LEU A 18 -0.032 -5.219 6.606 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -1.152 -5.020 7.974 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -2.590 -7.718 7.585 1.00 0.55 H new ATOM 0 HD22 LEU A 18 -3.441 -6.181 7.872 1.00 0.55 H new ATOM 0 HD23 LEU A 18 -3.835 -7.163 6.441 1.00 0.55 H new ATOM 283 N PHE A 19 -3.689 -3.333 2.954 1.00 0.43 N ATOM 284 CA PHE A 19 -4.184 -2.074 2.417 1.00 0.47 C ATOM 285 C PHE A 19 -5.422 -2.290 1.544 1.00 0.48 C ATOM 286 O PHE A 19 -6.441 -1.623 1.729 1.00 0.61 O ATOM 287 CB PHE A 19 -3.082 -1.378 1.618 1.00 0.52 C ATOM 288 CG PHE A 19 -3.176 0.116 1.607 1.00 0.39 C ATOM 289 CD1 PHE A 19 -3.072 0.836 2.785 1.00 0.58 C ATOM 290 CD2 PHE A 19 -3.359 0.805 0.419 1.00 0.50 C ATOM 291 CE1 PHE A 19 -3.152 2.208 2.775 1.00 0.75 C ATOM 292 CE2 PHE A 19 -3.438 2.182 0.410 1.00 0.70 C ATOM 293 CZ PHE A 19 -3.334 2.882 1.588 1.00 0.79 C ATOM 0 H PHE A 19 -2.922 -3.750 2.426 1.00 0.43 H new ATOM 0 HA PHE A 19 -4.475 -1.438 3.253 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -2.115 -1.666 2.029 1.00 0.52 H new ATOM 0 HB3 PHE A 19 -3.112 -1.739 0.590 1.00 0.52 H new ATOM 0 HD1 PHE A 19 -2.927 0.315 3.720 1.00 0.58 H new ATOM 0 HD2 PHE A 19 -3.441 0.259 -0.509 1.00 0.50 H new ATOM 0 HE1 PHE A 19 -3.072 2.759 3.700 1.00 0.75 H new ATOM 0 HE2 PHE A 19 -3.581 2.709 -0.522 1.00 0.70 H new ATOM 0 HZ PHE A 19 -3.395 3.960 1.583 1.00 0.79 H new ATOM 303 N ASP A 20 -5.344 -3.240 0.617 1.00 0.44 N ATOM 304 CA ASP A 20 -6.463 -3.522 -0.283 1.00 0.45 C ATOM 305 C ASP A 20 -7.363 -4.617 0.283 1.00 0.51 C ATOM 306 O ASP A 20 -6.887 -5.584 0.874 1.00 0.58 O ATOM 307 CB ASP A 20 -5.960 -3.929 -1.671 1.00 0.45 C ATOM 308 CG ASP A 20 -7.110 -4.238 -2.605 1.00 0.46 C ATOM 309 OD1 ASP A 20 -7.957 -3.342 -2.820 1.00 0.58 O ATOM 310 OD2 ASP A 20 -7.187 -5.369 -3.121 1.00 0.59 O ATOM 0 H ASP A 20 -4.523 -3.826 0.468 1.00 0.44 H new ATOM 0 HA ASP A 20 -7.046 -2.606 -0.375 1.00 0.45 H new ATOM 0 HB2 ASP A 20 -5.354 -3.126 -2.090 1.00 0.45 H new ATOM 0 HB3 ASP A 20 -5.315 -4.803 -1.584 1.00 0.45 H new ATOM 315 N LYS A 21 -8.670 -4.438 0.122 1.00 0.58 N ATOM 316 CA LYS A 21 -9.646 -5.409 0.600 1.00 0.71 C ATOM 317 C LYS A 21 -10.565 -5.842 -0.532 1.00 0.68 C ATOM 318 O LYS A 21 -11.500 -6.613 -0.320 1.00 0.86 O ATOM 319 CB LYS A 21 -10.487 -4.829 1.749 1.00 0.82 C ATOM 320 CG LYS A 21 -9.716 -4.629 3.044 1.00 1.05 C ATOM 321 CD LYS A 21 -9.088 -3.244 3.109 1.00 1.10 C ATOM 322 CE LYS A 21 -8.337 -3.039 4.408 1.00 1.41 C ATOM 323 NZ LYS A 21 -7.495 -1.822 4.371 1.00 1.57 N ATOM 0 H LYS A 21 -9.079 -3.625 -0.338 1.00 0.58 H new ATOM 0 HA LYS A 21 -9.097 -6.275 0.971 1.00 0.71 H new ATOM 0 HB2 LYS A 21 -10.901 -3.871 1.434 1.00 0.82 H new ATOM 0 HB3 LYS A 21 -11.330 -5.494 1.939 1.00 0.82 H new ATOM 0 HG2 LYS A 21 -10.386 -4.766 3.893 1.00 1.05 H new ATOM 0 HG3 LYS A 21 -8.937 -5.387 3.126 1.00 1.05 H new ATOM 0 HD2 LYS A 21 -8.407 -3.112 2.268 1.00 1.10 H new ATOM 0 HD3 LYS A 21 -9.865 -2.486 3.012 1.00 1.10 H new ATOM 0 HE2 LYS A 21 -9.048 -2.964 5.231 1.00 1.41 H new ATOM 0 HE3 LYS A 21 -7.710 -3.908 4.607 1.00 1.41 H new ATOM 0 HZ1 LYS A 21 -6.568 -2.029 4.794 1.00 1.57 H new ATOM 0 HZ2 LYS A 21 -7.366 -1.519 3.385 1.00 1.57 H new ATOM 0 HZ3 LYS A 21 -7.959 -1.062 4.909 1.00 1.57 H new ATOM 337 N ASP A 22 -10.309 -5.353 -1.741 1.00 0.58 N ATOM 338 CA ASP A 22 -11.139 -5.709 -2.881 1.00 0.61 C ATOM 339 C ASP A 22 -10.582 -6.950 -3.562 1.00 0.69 C ATOM 340 O ASP A 22 -11.316 -7.723 -4.175 1.00 0.82 O ATOM 341 CB ASP A 22 -11.204 -4.568 -3.903 1.00 0.55 C ATOM 342 CG ASP A 22 -11.300 -3.193 -3.275 1.00 0.52 C ATOM 343 OD1 ASP A 22 -12.322 -2.897 -2.624 1.00 0.60 O ATOM 344 OD2 ASP A 22 -10.340 -2.402 -3.434 1.00 0.55 O ATOM 0 H ASP A 22 -9.541 -4.716 -1.953 1.00 0.58 H new ATOM 0 HA ASP A 22 -12.145 -5.904 -2.509 1.00 0.61 H new ATOM 0 HB2 ASP A 22 -10.317 -4.608 -4.536 1.00 0.55 H new ATOM 0 HB3 ASP A 22 -12.066 -4.722 -4.552 1.00 0.55 H new ATOM 349 N GLY A 23 -9.278 -7.130 -3.456 1.00 0.65 N ATOM 350 CA GLY A 23 -8.636 -8.266 -4.075 1.00 0.73 C ATOM 351 C GLY A 23 -8.049 -7.896 -5.410 1.00 0.71 C ATOM 352 O GLY A 23 -7.920 -8.734 -6.302 1.00 0.87 O ATOM 0 H GLY A 23 -8.650 -6.506 -2.950 1.00 0.65 H new ATOM 0 HA2 GLY A 23 -7.850 -8.644 -3.421 1.00 0.73 H new ATOM 0 HA3 GLY A 23 -9.359 -9.071 -4.203 1.00 0.73 H new ATOM 356 N ASP A 24 -7.695 -6.629 -5.540 1.00 0.59 N ATOM 357 CA ASP A 24 -7.134 -6.114 -6.776 1.00 0.60 C ATOM 358 C ASP A 24 -5.617 -5.997 -6.684 1.00 0.59 C ATOM 359 O ASP A 24 -4.912 -6.153 -7.685 1.00 0.74 O ATOM 360 CB ASP A 24 -7.755 -4.754 -7.128 1.00 0.58 C ATOM 361 CG ASP A 24 -7.673 -3.724 -6.009 1.00 0.48 C ATOM 362 OD1 ASP A 24 -6.564 -3.285 -5.670 1.00 0.74 O ATOM 363 OD2 ASP A 24 -8.730 -3.323 -5.465 1.00 0.61 O ATOM 0 H ASP A 24 -7.787 -5.934 -4.799 1.00 0.59 H new ATOM 0 HA ASP A 24 -7.372 -6.821 -7.571 1.00 0.60 H new ATOM 0 HB2 ASP A 24 -7.255 -4.356 -8.011 1.00 0.58 H new ATOM 0 HB3 ASP A 24 -8.801 -4.903 -7.394 1.00 0.58 H new ATOM 368 N GLY A 25 -5.124 -5.727 -5.485 1.00 0.54 N ATOM 369 CA GLY A 25 -3.694 -5.594 -5.281 1.00 0.64 C ATOM 370 C GLY A 25 -3.139 -4.345 -5.935 1.00 0.69 C ATOM 371 O GLY A 25 -2.038 -4.361 -6.479 1.00 1.30 O ATOM 0 H GLY A 25 -5.689 -5.597 -4.646 1.00 0.54 H new ATOM 0 HA2 GLY A 25 -3.482 -5.568 -4.212 1.00 0.64 H new ATOM 0 HA3 GLY A 25 -3.187 -6.470 -5.686 1.00 0.64 H new ATOM 375 N THR A 26 -3.917 -3.274 -5.894 1.00 0.46 N ATOM 376 CA THR A 26 -3.517 -2.004 -6.469 1.00 0.48 C ATOM 377 C THR A 26 -3.936 -0.866 -5.549 1.00 0.46 C ATOM 378 O THR A 26 -4.893 -1.005 -4.787 1.00 0.63 O ATOM 379 CB THR A 26 -4.156 -1.795 -7.852 1.00 0.53 C ATOM 380 OG1 THR A 26 -5.529 -2.222 -7.832 1.00 0.66 O ATOM 381 CG2 THR A 26 -3.396 -2.551 -8.929 1.00 0.66 C ATOM 0 H THR A 26 -4.841 -3.263 -5.462 1.00 0.46 H new ATOM 0 HA THR A 26 -2.433 -2.013 -6.583 1.00 0.48 H new ATOM 0 HB THR A 26 -4.111 -0.731 -8.086 1.00 0.53 H new ATOM 0 HG1 THR A 26 -5.832 -2.305 -6.904 1.00 0.66 H new ATOM 0 HG21 THR A 26 -3.872 -2.384 -9.895 1.00 0.66 H new ATOM 0 HG22 THR A 26 -2.366 -2.196 -8.965 1.00 0.66 H new ATOM 0 HG23 THR A 26 -3.404 -3.617 -8.700 1.00 0.66 H new ATOM 389 N ILE A 27 -3.224 0.245 -5.598 1.00 0.37 N ATOM 390 CA ILE A 27 -3.561 1.381 -4.757 1.00 0.36 C ATOM 391 C ILE A 27 -4.299 2.448 -5.554 1.00 0.32 C ATOM 392 O ILE A 27 -3.734 3.071 -6.455 1.00 0.37 O ATOM 393 CB ILE A 27 -2.311 2.005 -4.100 1.00 0.40 C ATOM 394 CG1 ILE A 27 -1.617 0.972 -3.199 1.00 0.46 C ATOM 395 CG2 ILE A 27 -2.696 3.255 -3.302 1.00 0.42 C ATOM 396 CD1 ILE A 27 -0.345 1.482 -2.557 1.00 0.50 C ATOM 0 H ILE A 27 -2.416 0.386 -6.205 1.00 0.37 H new ATOM 0 HA ILE A 27 -4.211 1.004 -3.967 1.00 0.36 H new ATOM 0 HB ILE A 27 -1.613 2.304 -4.882 1.00 0.40 H new ATOM 0 HG12 ILE A 27 -2.310 0.662 -2.416 1.00 0.46 H new ATOM 0 HG13 ILE A 27 -1.385 0.085 -3.789 1.00 0.46 H new ATOM 0 HG21 ILE A 27 -1.804 3.684 -2.845 1.00 0.42 H new ATOM 0 HG22 ILE A 27 -3.149 3.988 -3.970 1.00 0.42 H new ATOM 0 HG23 ILE A 27 -3.409 2.984 -2.523 1.00 0.42 H new ATOM 0 HD11 ILE A 27 0.089 0.698 -1.936 1.00 0.50 H new ATOM 0 HD12 ILE A 27 0.366 1.765 -3.333 1.00 0.50 H new ATOM 0 HD13 ILE A 27 -0.572 2.351 -1.939 1.00 0.50 H new ATOM 408 N THR A 28 -5.573 2.623 -5.240 1.00 0.28 N ATOM 409 CA THR A 28 -6.387 3.632 -5.888 1.00 0.28 C ATOM 410 C THR A 28 -6.873 4.621 -4.840 1.00 0.27 C ATOM 411 O THR A 28 -6.528 4.504 -3.658 1.00 0.29 O ATOM 412 CB THR A 28 -7.616 3.028 -6.615 1.00 0.32 C ATOM 413 OG1 THR A 28 -8.524 2.453 -5.671 1.00 0.73 O ATOM 414 CG2 THR A 28 -7.199 1.969 -7.623 1.00 0.77 C ATOM 0 H THR A 28 -6.066 2.074 -4.535 1.00 0.28 H new ATOM 0 HA THR A 28 -5.767 4.122 -6.639 1.00 0.28 H new ATOM 0 HB THR A 28 -8.111 3.840 -7.148 1.00 0.32 H new ATOM 0 HG1 THR A 28 -8.059 2.297 -4.823 1.00 0.73 H new ATOM 0 HG21 THR A 28 -8.084 1.566 -8.115 1.00 0.77 H new ATOM 0 HG22 THR A 28 -6.541 2.415 -8.369 1.00 0.77 H new ATOM 0 HG23 THR A 28 -6.672 1.165 -7.109 1.00 0.77 H new ATOM 422 N THR A 29 -7.650 5.595 -5.272 1.00 0.29 N ATOM 423 CA THR A 29 -8.215 6.593 -4.375 1.00 0.33 C ATOM 424 C THR A 29 -9.008 5.947 -3.235 1.00 0.31 C ATOM 425 O THR A 29 -9.056 6.476 -2.123 1.00 0.32 O ATOM 426 CB THR A 29 -9.132 7.540 -5.166 1.00 0.40 C ATOM 427 OG1 THR A 29 -8.991 7.263 -6.567 1.00 0.48 O ATOM 428 CG2 THR A 29 -8.784 8.999 -4.895 1.00 0.59 C ATOM 0 H THR A 29 -7.909 5.720 -6.251 1.00 0.29 H new ATOM 0 HA THR A 29 -7.389 7.152 -3.936 1.00 0.33 H new ATOM 0 HB THR A 29 -10.162 7.375 -4.849 1.00 0.40 H new ATOM 0 HG1 THR A 29 -9.574 6.515 -6.813 1.00 0.48 H new ATOM 0 HG21 THR A 29 -9.449 9.644 -5.468 1.00 0.59 H new ATOM 0 HG22 THR A 29 -8.901 9.210 -3.832 1.00 0.59 H new ATOM 0 HG23 THR A 29 -7.752 9.188 -5.191 1.00 0.59 H new ATOM 436 N LYS A 30 -9.596 4.783 -3.519 1.00 0.31 N ATOM 437 CA LYS A 30 -10.401 4.059 -2.541 1.00 0.33 C ATOM 438 C LYS A 30 -9.577 3.583 -1.353 1.00 0.33 C ATOM 439 O LYS A 30 -9.973 3.779 -0.202 1.00 0.38 O ATOM 440 CB LYS A 30 -11.095 2.863 -3.201 1.00 0.36 C ATOM 441 CG LYS A 30 -11.967 2.075 -2.237 1.00 0.38 C ATOM 442 CD LYS A 30 -12.636 0.889 -2.915 1.00 0.43 C ATOM 443 CE LYS A 30 -13.532 0.143 -1.944 1.00 0.51 C ATOM 444 NZ LYS A 30 -14.182 -1.033 -2.577 1.00 0.56 N ATOM 0 H LYS A 30 -9.527 4.321 -4.426 1.00 0.31 H new ATOM 0 HA LYS A 30 -11.149 4.757 -2.166 1.00 0.33 H new ATOM 0 HB2 LYS A 30 -11.708 3.218 -4.030 1.00 0.36 H new ATOM 0 HB3 LYS A 30 -10.340 2.200 -3.624 1.00 0.36 H new ATOM 0 HG2 LYS A 30 -11.359 1.721 -1.404 1.00 0.38 H new ATOM 0 HG3 LYS A 30 -12.730 2.731 -1.819 1.00 0.38 H new ATOM 0 HD2 LYS A 30 -13.224 1.235 -3.765 1.00 0.43 H new ATOM 0 HD3 LYS A 30 -11.876 0.213 -3.307 1.00 0.43 H new ATOM 0 HE2 LYS A 30 -12.944 -0.186 -1.087 1.00 0.51 H new ATOM 0 HE3 LYS A 30 -14.298 0.820 -1.564 1.00 0.51 H new ATOM 0 HZ1 LYS A 30 -15.144 -1.144 -2.198 1.00 0.56 H new ATOM 0 HZ2 LYS A 30 -14.230 -0.891 -3.606 1.00 0.56 H new ATOM 0 HZ3 LYS A 30 -13.628 -1.889 -2.371 1.00 0.56 H new ATOM 458 N GLU A 31 -8.412 2.988 -1.605 1.00 0.31 N ATOM 459 CA GLU A 31 -7.583 2.461 -0.527 1.00 0.35 C ATOM 460 C GLU A 31 -6.749 3.568 0.117 1.00 0.34 C ATOM 461 O GLU A 31 -6.396 3.496 1.293 1.00 0.39 O ATOM 462 CB GLU A 31 -6.661 1.348 -1.053 1.00 0.37 C ATOM 463 CG GLU A 31 -7.399 0.145 -1.610 1.00 0.41 C ATOM 464 CD GLU A 31 -7.662 0.256 -3.097 1.00 0.35 C ATOM 465 OE1 GLU A 31 -7.366 1.315 -3.680 1.00 0.86 O ATOM 466 OE2 GLU A 31 -8.168 -0.732 -3.689 1.00 0.87 O ATOM 0 H GLU A 31 -8.025 2.860 -2.540 1.00 0.31 H new ATOM 0 HA GLU A 31 -8.246 2.045 0.231 1.00 0.35 H new ATOM 0 HB2 GLU A 31 -6.019 1.760 -1.832 1.00 0.37 H new ATOM 0 HB3 GLU A 31 -6.009 1.018 -0.244 1.00 0.37 H new ATOM 0 HG2 GLU A 31 -6.817 -0.755 -1.415 1.00 0.41 H new ATOM 0 HG3 GLU A 31 -8.348 0.031 -1.085 1.00 0.41 H new ATOM 473 N LEU A 32 -6.484 4.599 -0.654 1.00 0.31 N ATOM 474 CA LEU A 32 -5.690 5.729 -0.181 1.00 0.33 C ATOM 475 C LEU A 32 -6.482 6.563 0.833 1.00 0.35 C ATOM 476 O LEU A 32 -5.916 7.113 1.775 1.00 0.47 O ATOM 477 CB LEU A 32 -5.257 6.600 -1.365 1.00 0.34 C ATOM 478 CG LEU A 32 -4.298 7.746 -1.046 1.00 0.37 C ATOM 479 CD1 LEU A 32 -3.022 7.228 -0.391 1.00 0.36 C ATOM 480 CD2 LEU A 32 -3.973 8.517 -2.322 1.00 0.43 C ATOM 0 H LEU A 32 -6.805 4.685 -1.618 1.00 0.31 H new ATOM 0 HA LEU A 32 -4.801 5.342 0.317 1.00 0.33 H new ATOM 0 HB2 LEU A 32 -4.787 5.957 -2.109 1.00 0.34 H new ATOM 0 HB3 LEU A 32 -6.151 7.020 -1.826 1.00 0.34 H new ATOM 0 HG LEU A 32 -4.783 8.418 -0.338 1.00 0.37 H new ATOM 0 HD11 LEU A 32 -2.358 8.065 -0.175 1.00 0.36 H new ATOM 0 HD12 LEU A 32 -3.272 6.715 0.537 1.00 0.36 H new ATOM 0 HD13 LEU A 32 -2.522 6.534 -1.066 1.00 0.36 H new ATOM 0 HD21 LEU A 32 -3.289 9.333 -2.090 1.00 0.43 H new ATOM 0 HD22 LEU A 32 -3.506 7.846 -3.043 1.00 0.43 H new ATOM 0 HD23 LEU A 32 -4.892 8.923 -2.746 1.00 0.43 H new ATOM 492 N GLY A 33 -7.795 6.639 0.640 1.00 0.30 N ATOM 493 CA GLY A 33 -8.631 7.424 1.533 1.00 0.33 C ATOM 494 C GLY A 33 -9.195 6.635 2.699 1.00 0.34 C ATOM 495 O GLY A 33 -9.404 7.187 3.777 1.00 0.36 O ATOM 0 H GLY A 33 -8.295 6.173 -0.117 1.00 0.30 H new ATOM 0 HA2 GLY A 33 -8.048 8.259 1.921 1.00 0.33 H new ATOM 0 HA3 GLY A 33 -9.456 7.849 0.962 1.00 0.33 H new ATOM 499 N THR A 34 -9.407 5.336 2.512 1.00 0.36 N ATOM 500 CA THR A 34 -9.984 4.500 3.564 1.00 0.39 C ATOM 501 C THR A 34 -9.123 4.471 4.825 1.00 0.40 C ATOM 502 O THR A 34 -9.650 4.535 5.936 1.00 0.46 O ATOM 503 CB THR A 34 -10.208 3.062 3.077 1.00 0.43 C ATOM 504 OG1 THR A 34 -9.210 2.719 2.112 1.00 0.42 O ATOM 505 CG2 THR A 34 -11.596 2.912 2.467 1.00 0.47 C ATOM 0 H THR A 34 -9.190 4.840 1.648 1.00 0.36 H new ATOM 0 HA THR A 34 -10.943 4.954 3.813 1.00 0.39 H new ATOM 0 HB THR A 34 -10.132 2.388 3.930 1.00 0.43 H new ATOM 0 HG1 THR A 34 -9.580 2.816 1.210 1.00 0.42 H new ATOM 0 HG21 THR A 34 -11.735 1.886 2.128 1.00 0.47 H new ATOM 0 HG22 THR A 34 -12.351 3.152 3.216 1.00 0.47 H new ATOM 0 HG23 THR A 34 -11.697 3.591 1.620 1.00 0.47 H new ATOM 513 N VAL A 35 -7.804 4.396 4.659 1.00 0.40 N ATOM 514 CA VAL A 35 -6.904 4.360 5.803 1.00 0.43 C ATOM 515 C VAL A 35 -6.927 5.702 6.554 1.00 0.40 C ATOM 516 O VAL A 35 -7.074 5.728 7.776 1.00 0.42 O ATOM 517 CB VAL A 35 -5.460 3.978 5.378 1.00 0.51 C ATOM 518 CG1 VAL A 35 -4.907 4.951 4.338 1.00 1.14 C ATOM 519 CG2 VAL A 35 -4.548 3.904 6.594 1.00 1.38 C ATOM 0 H VAL A 35 -7.341 4.359 3.751 1.00 0.40 H new ATOM 0 HA VAL A 35 -7.257 3.585 6.483 1.00 0.43 H new ATOM 0 HB VAL A 35 -5.497 2.992 4.915 1.00 0.51 H new ATOM 0 HG11 VAL A 35 -3.895 4.654 4.063 1.00 1.14 H new ATOM 0 HG12 VAL A 35 -5.542 4.937 3.452 1.00 1.14 H new ATOM 0 HG13 VAL A 35 -4.889 5.958 4.755 1.00 1.14 H new ATOM 0 HG21 VAL A 35 -3.540 3.635 6.277 1.00 1.38 H new ATOM 0 HG22 VAL A 35 -4.525 4.874 7.091 1.00 1.38 H new ATOM 0 HG23 VAL A 35 -4.924 3.150 7.286 1.00 1.38 H new ATOM 529 N MET A 36 -6.803 6.807 5.819 1.00 0.38 N ATOM 530 CA MET A 36 -6.822 8.145 6.424 1.00 0.40 C ATOM 531 C MET A 36 -8.155 8.394 7.125 1.00 0.37 C ATOM 532 O MET A 36 -8.202 9.015 8.192 1.00 0.39 O ATOM 533 CB MET A 36 -6.584 9.226 5.368 1.00 0.46 C ATOM 534 CG MET A 36 -5.337 8.997 4.532 1.00 0.82 C ATOM 535 SD MET A 36 -4.935 10.403 3.476 1.00 0.85 S ATOM 536 CE MET A 36 -3.637 9.702 2.461 1.00 0.83 C ATOM 0 H MET A 36 -6.688 6.806 4.805 1.00 0.38 H new ATOM 0 HA MET A 36 -6.018 8.192 7.158 1.00 0.40 H new ATOM 0 HB2 MET A 36 -7.450 9.274 4.708 1.00 0.46 H new ATOM 0 HB3 MET A 36 -6.507 10.194 5.863 1.00 0.46 H new ATOM 0 HG2 MET A 36 -4.495 8.792 5.193 1.00 0.82 H new ATOM 0 HG3 MET A 36 -5.478 8.112 3.912 1.00 0.82 H new ATOM 0 HE1 MET A 36 -3.646 10.177 1.480 1.00 0.83 H new ATOM 0 HE2 MET A 36 -2.671 9.871 2.937 1.00 0.83 H new ATOM 0 HE3 MET A 36 -3.803 8.631 2.347 1.00 0.83 H new ATOM 546 N ARG A 37 -9.219 7.878 6.519 1.00 0.36 N ATOM 547 CA ARG A 37 -10.575 8.016 7.042 1.00 0.38 C ATOM 548 C ARG A 37 -10.687 7.476 8.466 1.00 0.40 C ATOM 549 O ARG A 37 -11.452 7.998 9.271 1.00 0.45 O ATOM 550 CB ARG A 37 -11.558 7.286 6.121 1.00 0.41 C ATOM 551 CG ARG A 37 -13.015 7.416 6.525 1.00 0.51 C ATOM 552 CD ARG A 37 -13.905 6.563 5.635 1.00 0.71 C ATOM 553 NE ARG A 37 -15.313 6.944 5.733 1.00 1.03 N ATOM 554 CZ ARG A 37 -16.296 6.354 5.050 1.00 1.51 C ATOM 555 NH1 ARG A 37 -16.030 5.341 4.239 1.00 1.88 N ATOM 556 NH2 ARG A 37 -17.547 6.783 5.174 1.00 1.95 N ATOM 0 H ARG A 37 -9.166 7.350 5.648 1.00 0.36 H new ATOM 0 HA ARG A 37 -10.821 9.078 7.073 1.00 0.38 H new ATOM 0 HB2 ARG A 37 -11.440 7.669 5.108 1.00 0.41 H new ATOM 0 HB3 ARG A 37 -11.294 6.229 6.095 1.00 0.41 H new ATOM 0 HG2 ARG A 37 -13.136 7.112 7.565 1.00 0.51 H new ATOM 0 HG3 ARG A 37 -13.323 8.460 6.460 1.00 0.51 H new ATOM 0 HD2 ARG A 37 -13.577 6.656 4.600 1.00 0.71 H new ATOM 0 HD3 ARG A 37 -13.794 5.515 5.912 1.00 0.71 H new ATOM 0 HE ARG A 37 -15.559 7.708 6.362 1.00 1.03 H new ATOM 0 HH11 ARG A 37 -15.071 5.009 4.135 1.00 1.88 H new ATOM 0 HH12 ARG A 37 -16.784 4.893 3.719 1.00 1.88 H new ATOM 0 HH21 ARG A 37 -17.759 7.566 5.793 1.00 1.95 H new ATOM 0 HH22 ARG A 37 -18.296 6.330 4.650 1.00 1.95 H new ATOM 570 N SER A 38 -9.921 6.439 8.772 1.00 0.42 N ATOM 571 CA SER A 38 -9.950 5.842 10.098 1.00 0.45 C ATOM 572 C SER A 38 -8.632 6.076 10.833 1.00 0.46 C ATOM 573 O SER A 38 -8.261 5.321 11.734 1.00 0.59 O ATOM 574 CB SER A 38 -10.235 4.346 9.982 1.00 0.53 C ATOM 575 OG SER A 38 -11.212 4.087 8.981 1.00 0.58 O ATOM 0 H SER A 38 -9.273 5.995 8.121 1.00 0.42 H new ATOM 0 HA SER A 38 -10.744 6.316 10.675 1.00 0.45 H new ATOM 0 HB2 SER A 38 -9.314 3.815 9.742 1.00 0.53 H new ATOM 0 HB3 SER A 38 -10.583 3.963 10.942 1.00 0.53 H new ATOM 0 HG SER A 38 -11.375 3.122 8.925 1.00 0.58 H new ATOM 581 N LEU A 39 -7.929 7.130 10.445 1.00 0.40 N ATOM 582 CA LEU A 39 -6.653 7.461 11.063 1.00 0.43 C ATOM 583 C LEU A 39 -6.648 8.894 11.578 1.00 0.46 C ATOM 584 O LEU A 39 -6.263 9.143 12.722 1.00 0.58 O ATOM 585 CB LEU A 39 -5.507 7.257 10.073 1.00 0.44 C ATOM 586 CG LEU A 39 -4.100 7.284 10.682 1.00 0.46 C ATOM 587 CD1 LEU A 39 -3.907 6.110 11.631 1.00 0.72 C ATOM 588 CD2 LEU A 39 -3.048 7.263 9.583 1.00 0.52 C ATOM 0 H LEU A 39 -8.220 7.770 9.706 1.00 0.40 H new ATOM 0 HA LEU A 39 -6.511 6.791 11.911 1.00 0.43 H new ATOM 0 HB2 LEU A 39 -5.649 6.300 9.571 1.00 0.44 H new ATOM 0 HB3 LEU A 39 -5.568 8.031 9.308 1.00 0.44 H new ATOM 0 HG LEU A 39 -3.986 8.206 11.252 1.00 0.46 H new ATOM 0 HD11 LEU A 39 -2.903 6.145 12.054 1.00 0.72 H new ATOM 0 HD12 LEU A 39 -4.641 6.167 12.434 1.00 0.72 H new ATOM 0 HD13 LEU A 39 -4.038 5.176 11.085 1.00 0.72 H new ATOM 0 HD21 LEU A 39 -2.054 7.283 10.030 1.00 0.52 H new ATOM 0 HD22 LEU A 39 -3.161 6.356 8.989 1.00 0.52 H new ATOM 0 HD23 LEU A 39 -3.174 8.135 8.942 1.00 0.52 H new ATOM 600 N GLY A 40 -7.068 9.831 10.731 1.00 0.44 N ATOM 601 CA GLY A 40 -7.098 11.234 11.119 1.00 0.50 C ATOM 602 C GLY A 40 -8.105 12.027 10.318 1.00 0.50 C ATOM 603 O GLY A 40 -7.813 13.137 9.867 1.00 0.56 O ATOM 0 H GLY A 40 -7.389 9.644 9.781 1.00 0.44 H new ATOM 0 HA2 GLY A 40 -7.338 11.311 12.179 1.00 0.50 H new ATOM 0 HA3 GLY A 40 -6.107 11.668 10.985 1.00 0.50 H new ATOM 607 N GLN A 41 -9.287 11.437 10.144 1.00 0.49 N ATOM 608 CA GLN A 41 -10.386 12.044 9.396 1.00 0.54 C ATOM 609 C GLN A 41 -10.092 12.057 7.897 1.00 0.51 C ATOM 610 O GLN A 41 -8.952 12.237 7.468 1.00 0.60 O ATOM 611 CB GLN A 41 -10.699 13.456 9.900 1.00 0.62 C ATOM 612 CG GLN A 41 -12.121 13.907 9.572 1.00 1.04 C ATOM 613 CD GLN A 41 -13.135 12.788 9.722 1.00 1.93 C ATOM 614 OE1 GLN A 41 -13.448 12.079 8.765 1.00 2.45 O ATOM 615 NE2 GLN A 41 -13.641 12.621 10.927 1.00 2.83 N ATOM 0 H GLN A 41 -9.510 10.516 10.522 1.00 0.49 H new ATOM 0 HA GLN A 41 -11.270 11.429 9.564 1.00 0.54 H new ATOM 0 HB2 GLN A 41 -10.553 13.491 10.980 1.00 0.62 H new ATOM 0 HB3 GLN A 41 -9.991 14.158 9.460 1.00 0.62 H new ATOM 0 HG2 GLN A 41 -12.397 14.733 10.227 1.00 1.04 H new ATOM 0 HG3 GLN A 41 -12.152 14.286 8.551 1.00 1.04 H new ATOM 0 HE21 GLN A 41 -13.352 13.233 11.691 1.00 2.83 H new ATOM 0 HE22 GLN A 41 -14.321 11.880 11.096 1.00 2.83 H new ATOM 624 N ASN A 42 -11.131 11.846 7.107 1.00 0.53 N ATOM 625 CA ASN A 42 -11.000 11.811 5.658 1.00 0.53 C ATOM 626 C ASN A 42 -11.146 13.208 5.067 1.00 0.50 C ATOM 627 O ASN A 42 -12.061 13.953 5.430 1.00 0.56 O ATOM 628 CB ASN A 42 -12.059 10.883 5.048 1.00 0.67 C ATOM 629 CG ASN A 42 -11.771 10.525 3.605 1.00 0.73 C ATOM 630 OD1 ASN A 42 -10.994 9.620 3.327 1.00 0.96 O ATOM 631 ND2 ASN A 42 -12.401 11.225 2.678 1.00 0.63 N ATOM 0 H ASN A 42 -12.081 11.695 7.446 1.00 0.53 H new ATOM 0 HA ASN A 42 -10.007 11.430 5.420 1.00 0.53 H new ATOM 0 HB2 ASN A 42 -12.117 9.969 5.639 1.00 0.67 H new ATOM 0 HB3 ASN A 42 -13.035 11.365 5.109 1.00 0.67 H new ATOM 0 HD21 ASN A 42 -12.247 11.019 1.691 1.00 0.63 H new ATOM 0 HD22 ASN A 42 -13.041 11.971 2.950 1.00 0.63 H new ATOM 638 N PRO A 43 -10.234 13.587 4.156 1.00 0.49 N ATOM 639 CA PRO A 43 -10.279 14.889 3.484 1.00 0.54 C ATOM 640 C PRO A 43 -11.379 14.930 2.428 1.00 0.50 C ATOM 641 O PRO A 43 -12.128 13.967 2.267 1.00 0.48 O ATOM 642 CB PRO A 43 -8.900 14.983 2.835 1.00 0.61 C ATOM 643 CG PRO A 43 -8.483 13.576 2.597 1.00 0.60 C ATOM 644 CD PRO A 43 -9.083 12.770 3.704 1.00 0.56 C ATOM 0 HA PRO A 43 -10.498 15.713 4.163 1.00 0.54 H new ATOM 0 HB2 PRO A 43 -8.942 15.544 1.902 1.00 0.61 H new ATOM 0 HB3 PRO A 43 -8.193 15.498 3.485 1.00 0.61 H new ATOM 0 HG2 PRO A 43 -8.833 13.225 1.626 1.00 0.60 H new ATOM 0 HG3 PRO A 43 -7.397 13.487 2.595 1.00 0.60 H new ATOM 0 HD2 PRO A 43 -9.403 11.788 3.355 1.00 0.56 H new ATOM 0 HD3 PRO A 43 -8.369 12.605 4.511 1.00 0.56 H new ATOM 652 N THR A 44 -11.488 16.036 1.711 1.00 0.57 N ATOM 653 CA THR A 44 -12.510 16.162 0.684 1.00 0.59 C ATOM 654 C THR A 44 -12.096 15.416 -0.586 1.00 0.53 C ATOM 655 O THR A 44 -10.929 15.040 -0.746 1.00 0.50 O ATOM 656 CB THR A 44 -12.805 17.641 0.363 1.00 0.71 C ATOM 657 OG1 THR A 44 -11.627 18.288 -0.132 1.00 0.72 O ATOM 658 CG2 THR A 44 -13.292 18.370 1.601 1.00 0.80 C ATOM 0 H THR A 44 -10.887 16.853 1.819 1.00 0.57 H new ATOM 0 HA THR A 44 -13.424 15.712 1.072 1.00 0.59 H new ATOM 0 HB THR A 44 -13.583 17.671 -0.399 1.00 0.71 H new ATOM 0 HG1 THR A 44 -11.138 18.693 0.615 1.00 0.72 H new ATOM 0 HG21 THR A 44 -13.495 19.412 1.354 1.00 0.80 H new ATOM 0 HG22 THR A 44 -14.205 17.899 1.965 1.00 0.80 H new ATOM 0 HG23 THR A 44 -12.526 18.323 2.375 1.00 0.80 H new ATOM 666 N GLU A 45 -13.052 15.192 -1.483 1.00 0.58 N ATOM 667 CA GLU A 45 -12.793 14.483 -2.732 1.00 0.58 C ATOM 668 C GLU A 45 -11.702 15.179 -3.538 1.00 0.57 C ATOM 669 O GLU A 45 -10.830 14.528 -4.117 1.00 0.56 O ATOM 670 CB GLU A 45 -14.072 14.379 -3.569 1.00 0.68 C ATOM 671 CG GLU A 45 -15.215 13.675 -2.856 1.00 0.81 C ATOM 672 CD GLU A 45 -16.157 14.633 -2.144 1.00 1.39 C ATOM 673 OE1 GLU A 45 -15.690 15.678 -1.632 1.00 2.13 O ATOM 674 OE2 GLU A 45 -17.374 14.348 -2.097 1.00 1.82 O ATOM 0 H GLU A 45 -14.019 15.494 -1.367 1.00 0.58 H new ATOM 0 HA GLU A 45 -12.452 13.479 -2.480 1.00 0.58 H new ATOM 0 HB2 GLU A 45 -14.394 15.382 -3.850 1.00 0.68 H new ATOM 0 HB3 GLU A 45 -13.848 13.845 -4.493 1.00 0.68 H new ATOM 0 HG2 GLU A 45 -15.781 13.090 -3.581 1.00 0.81 H new ATOM 0 HG3 GLU A 45 -14.805 12.973 -2.130 1.00 0.81 H new ATOM 681 N ALA A 46 -11.750 16.507 -3.561 1.00 0.60 N ATOM 682 CA ALA A 46 -10.762 17.296 -4.286 1.00 0.61 C ATOM 683 C ALA A 46 -9.360 17.035 -3.748 1.00 0.55 C ATOM 684 O ALA A 46 -8.415 16.832 -4.512 1.00 0.54 O ATOM 685 CB ALA A 46 -11.103 18.774 -4.205 1.00 0.70 C ATOM 0 H ALA A 46 -12.463 17.059 -3.085 1.00 0.60 H new ATOM 0 HA ALA A 46 -10.782 16.994 -5.333 1.00 0.61 H new ATOM 0 HB1 ALA A 46 -10.356 19.350 -4.751 1.00 0.70 H new ATOM 0 HB2 ALA A 46 -12.086 18.945 -4.644 1.00 0.70 H new ATOM 0 HB3 ALA A 46 -11.112 19.089 -3.161 1.00 0.70 H new ATOM 691 N GLU A 47 -9.248 17.034 -2.428 1.00 0.54 N ATOM 692 CA GLU A 47 -7.979 16.785 -1.755 1.00 0.51 C ATOM 693 C GLU A 47 -7.470 15.373 -2.047 1.00 0.46 C ATOM 694 O GLU A 47 -6.271 15.152 -2.205 1.00 0.46 O ATOM 695 CB GLU A 47 -8.131 16.971 -0.244 1.00 0.55 C ATOM 696 CG GLU A 47 -8.363 18.405 0.180 1.00 0.66 C ATOM 697 CD GLU A 47 -8.768 18.506 1.634 1.00 0.72 C ATOM 698 OE1 GLU A 47 -9.973 18.360 1.930 1.00 0.76 O ATOM 699 OE2 GLU A 47 -7.887 18.708 2.493 1.00 0.81 O ATOM 0 H GLU A 47 -10.029 17.205 -1.795 1.00 0.54 H new ATOM 0 HA GLU A 47 -7.254 17.504 -2.136 1.00 0.51 H new ATOM 0 HB2 GLU A 47 -8.964 16.361 0.105 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -7.234 16.598 0.250 1.00 0.55 H new ATOM 0 HG2 GLU A 47 -7.454 18.984 0.016 1.00 0.66 H new ATOM 0 HG3 GLU A 47 -9.139 18.847 -0.444 1.00 0.66 H new ATOM 706 N LEU A 48 -8.392 14.423 -2.135 1.00 0.44 N ATOM 707 CA LEU A 48 -8.033 13.042 -2.404 1.00 0.44 C ATOM 708 C LEU A 48 -7.596 12.886 -3.854 1.00 0.43 C ATOM 709 O LEU A 48 -6.668 12.131 -4.157 1.00 0.43 O ATOM 710 CB LEU A 48 -9.209 12.111 -2.095 1.00 0.51 C ATOM 711 CG LEU A 48 -8.810 10.704 -1.647 1.00 0.64 C ATOM 712 CD1 LEU A 48 -8.061 10.750 -0.321 1.00 0.76 C ATOM 713 CD2 LEU A 48 -10.038 9.808 -1.530 1.00 0.73 C ATOM 0 H LEU A 48 -9.393 14.586 -2.024 1.00 0.44 H new ATOM 0 HA LEU A 48 -7.200 12.767 -1.757 1.00 0.44 H new ATOM 0 HB2 LEU A 48 -9.820 12.566 -1.315 1.00 0.51 H new ATOM 0 HB3 LEU A 48 -9.835 12.031 -2.984 1.00 0.51 H new ATOM 0 HG LEU A 48 -8.146 10.285 -2.403 1.00 0.64 H new ATOM 0 HD11 LEU A 48 -7.787 9.738 -0.022 1.00 0.76 H new ATOM 0 HD12 LEU A 48 -7.159 11.352 -0.433 1.00 0.76 H new ATOM 0 HD13 LEU A 48 -8.700 11.193 0.443 1.00 0.76 H new ATOM 0 HD21 LEU A 48 -9.732 8.812 -1.210 1.00 0.73 H new ATOM 0 HD22 LEU A 48 -10.727 10.229 -0.798 1.00 0.73 H new ATOM 0 HD23 LEU A 48 -10.534 9.742 -2.498 1.00 0.73 H new ATOM 725 N GLN A 49 -8.279 13.598 -4.737 1.00 0.45 N ATOM 726 CA GLN A 49 -7.962 13.572 -6.161 1.00 0.47 C ATOM 727 C GLN A 49 -6.535 14.044 -6.393 1.00 0.46 C ATOM 728 O GLN A 49 -5.765 13.418 -7.123 1.00 0.48 O ATOM 729 CB GLN A 49 -8.942 14.458 -6.944 1.00 0.53 C ATOM 730 CG GLN A 49 -8.590 14.611 -8.419 1.00 0.74 C ATOM 731 CD GLN A 49 -9.285 15.789 -9.064 1.00 0.84 C ATOM 732 OE1 GLN A 49 -10.394 15.666 -9.580 1.00 0.99 O ATOM 733 NE2 GLN A 49 -8.644 16.949 -9.037 1.00 1.12 N ATOM 0 H GLN A 49 -9.061 14.205 -4.493 1.00 0.45 H new ATOM 0 HA GLN A 49 -8.056 12.546 -6.516 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -9.944 14.037 -6.861 1.00 0.53 H new ATOM 0 HB3 GLN A 49 -8.972 15.445 -6.483 1.00 0.53 H new ATOM 0 HG2 GLN A 49 -7.511 14.730 -8.521 1.00 0.74 H new ATOM 0 HG3 GLN A 49 -8.861 13.699 -8.950 1.00 0.74 H new ATOM 0 HE21 GLN A 49 -7.725 17.014 -8.600 1.00 1.12 H new ATOM 0 HE22 GLN A 49 -9.070 17.777 -9.453 1.00 1.12 H new ATOM 742 N ASP A 50 -6.186 15.142 -5.744 1.00 0.45 N ATOM 743 CA ASP A 50 -4.855 15.718 -5.869 1.00 0.46 C ATOM 744 C ASP A 50 -3.803 14.772 -5.312 1.00 0.42 C ATOM 745 O ASP A 50 -2.711 14.654 -5.862 1.00 0.45 O ATOM 746 CB ASP A 50 -4.777 17.054 -5.128 1.00 0.51 C ATOM 747 CG ASP A 50 -3.501 17.811 -5.436 1.00 0.60 C ATOM 748 OD1 ASP A 50 -3.227 18.052 -6.633 1.00 1.42 O ATOM 749 OD2 ASP A 50 -2.770 18.169 -4.489 1.00 1.10 O ATOM 0 H ASP A 50 -6.809 15.656 -5.121 1.00 0.45 H new ATOM 0 HA ASP A 50 -4.661 15.882 -6.929 1.00 0.46 H new ATOM 0 HB2 ASP A 50 -5.635 17.668 -5.400 1.00 0.51 H new ATOM 0 HB3 ASP A 50 -4.840 16.875 -4.055 1.00 0.51 H new ATOM 754 N MET A 51 -4.154 14.086 -4.229 1.00 0.39 N ATOM 755 CA MET A 51 -3.240 13.163 -3.570 1.00 0.38 C ATOM 756 C MET A 51 -2.850 11.989 -4.464 1.00 0.37 C ATOM 757 O MET A 51 -1.671 11.654 -4.559 1.00 0.38 O ATOM 758 CB MET A 51 -3.845 12.656 -2.263 1.00 0.41 C ATOM 759 CG MET A 51 -3.131 13.180 -1.029 1.00 0.45 C ATOM 760 SD MET A 51 -1.399 12.673 -0.959 1.00 0.54 S ATOM 761 CE MET A 51 -1.564 10.887 -0.993 1.00 0.40 C ATOM 0 H MET A 51 -5.071 14.154 -3.788 1.00 0.39 H new ATOM 0 HA MET A 51 -2.327 13.718 -3.354 1.00 0.38 H new ATOM 0 HB2 MET A 51 -4.894 12.948 -2.219 1.00 0.41 H new ATOM 0 HB3 MET A 51 -3.817 11.566 -2.256 1.00 0.41 H new ATOM 0 HG2 MET A 51 -3.188 14.268 -1.016 1.00 0.45 H new ATOM 0 HG3 MET A 51 -3.646 12.823 -0.137 1.00 0.45 H new ATOM 0 HE1 MET A 51 -0.699 10.432 -0.510 1.00 0.40 H new ATOM 0 HE2 MET A 51 -2.471 10.595 -0.463 1.00 0.40 H new ATOM 0 HE3 MET A 51 -1.623 10.547 -2.027 1.00 0.40 H new ATOM 771 N ILE A 52 -3.820 11.360 -5.129 1.00 0.39 N ATOM 772 CA ILE A 52 -3.510 10.227 -5.999 1.00 0.43 C ATOM 773 C ILE A 52 -2.801 10.714 -7.268 1.00 0.47 C ATOM 774 O ILE A 52 -2.017 9.986 -7.877 1.00 0.52 O ATOM 775 CB ILE A 52 -4.768 9.392 -6.359 1.00 0.48 C ATOM 776 CG1 ILE A 52 -4.363 8.086 -7.052 1.00 0.49 C ATOM 777 CG2 ILE A 52 -5.723 10.184 -7.238 1.00 0.59 C ATOM 778 CD1 ILE A 52 -3.744 7.048 -6.122 1.00 0.46 C ATOM 0 H ILE A 52 -4.808 11.610 -5.084 1.00 0.39 H new ATOM 0 HA ILE A 52 -2.843 9.566 -5.446 1.00 0.43 H new ATOM 0 HB ILE A 52 -5.287 9.152 -5.431 1.00 0.48 H new ATOM 0 HG12 ILE A 52 -5.243 7.652 -7.527 1.00 0.49 H new ATOM 0 HG13 ILE A 52 -3.652 8.315 -7.846 1.00 0.49 H new ATOM 0 HG21 ILE A 52 -6.594 9.572 -7.473 1.00 0.59 H new ATOM 0 HG22 ILE A 52 -6.043 11.083 -6.710 1.00 0.59 H new ATOM 0 HG23 ILE A 52 -5.218 10.466 -8.162 1.00 0.59 H new ATOM 0 HD11 ILE A 52 -3.487 6.156 -6.693 1.00 0.46 H new ATOM 0 HD12 ILE A 52 -2.843 7.459 -5.666 1.00 0.46 H new ATOM 0 HD13 ILE A 52 -4.459 6.786 -5.342 1.00 0.46 H new ATOM 790 N ASN A 53 -3.054 11.965 -7.633 1.00 0.50 N ATOM 791 CA ASN A 53 -2.428 12.573 -8.802 1.00 0.57 C ATOM 792 C ASN A 53 -0.975 12.917 -8.486 1.00 0.56 C ATOM 793 O ASN A 53 -0.131 13.036 -9.375 1.00 0.61 O ATOM 794 CB ASN A 53 -3.209 13.829 -9.205 1.00 0.65 C ATOM 795 CG ASN A 53 -2.409 14.792 -10.057 1.00 0.72 C ATOM 796 OD1 ASN A 53 -2.252 14.588 -11.255 1.00 0.98 O ATOM 797 ND2 ASN A 53 -1.922 15.867 -9.452 1.00 1.06 N ATOM 0 H ASN A 53 -3.693 12.583 -7.132 1.00 0.50 H new ATOM 0 HA ASN A 53 -2.443 11.871 -9.636 1.00 0.57 H new ATOM 0 HB2 ASN A 53 -4.104 13.531 -9.751 1.00 0.65 H new ATOM 0 HB3 ASN A 53 -3.542 14.344 -8.304 1.00 0.65 H new ATOM 0 HD21 ASN A 53 -1.396 16.559 -9.986 1.00 1.06 H new ATOM 0 HD22 ASN A 53 -2.073 16.002 -8.452 1.00 1.06 H new ATOM 804 N GLU A 54 -0.700 13.041 -7.196 1.00 0.50 N ATOM 805 CA GLU A 54 0.629 13.378 -6.710 1.00 0.51 C ATOM 806 C GLU A 54 1.507 12.131 -6.602 1.00 0.50 C ATOM 807 O GLU A 54 2.705 12.222 -6.338 1.00 0.71 O ATOM 808 CB GLU A 54 0.514 14.073 -5.350 1.00 0.53 C ATOM 809 CG GLU A 54 1.779 14.788 -4.914 1.00 0.62 C ATOM 810 CD GLU A 54 1.523 15.785 -3.811 1.00 0.91 C ATOM 811 OE1 GLU A 54 1.388 15.365 -2.651 1.00 1.58 O ATOM 812 OE2 GLU A 54 1.479 16.997 -4.098 1.00 1.46 O ATOM 0 H GLU A 54 -1.391 12.911 -6.458 1.00 0.50 H new ATOM 0 HA GLU A 54 1.102 14.055 -7.422 1.00 0.51 H new ATOM 0 HB2 GLU A 54 -0.303 14.793 -5.389 1.00 0.53 H new ATOM 0 HB3 GLU A 54 0.249 13.332 -4.596 1.00 0.53 H new ATOM 0 HG2 GLU A 54 2.510 14.054 -4.575 1.00 0.62 H new ATOM 0 HG3 GLU A 54 2.217 15.301 -5.770 1.00 0.62 H new ATOM 819 N VAL A 55 0.908 10.967 -6.812 1.00 0.48 N ATOM 820 CA VAL A 55 1.649 9.712 -6.734 1.00 0.46 C ATOM 821 C VAL A 55 1.635 8.975 -8.077 1.00 0.47 C ATOM 822 O VAL A 55 2.682 8.551 -8.576 1.00 0.69 O ATOM 823 CB VAL A 55 1.119 8.783 -5.601 1.00 0.47 C ATOM 824 CG1 VAL A 55 -0.372 8.948 -5.382 1.00 0.39 C ATOM 825 CG2 VAL A 55 1.436 7.328 -5.883 1.00 0.82 C ATOM 0 H VAL A 55 -0.082 10.864 -7.036 1.00 0.48 H new ATOM 0 HA VAL A 55 2.679 9.973 -6.490 1.00 0.46 H new ATOM 0 HB VAL A 55 1.634 9.085 -4.689 1.00 0.47 H new ATOM 0 HG11 VAL A 55 -0.698 8.282 -4.584 1.00 0.39 H new ATOM 0 HG12 VAL A 55 -0.587 9.980 -5.104 1.00 0.39 H new ATOM 0 HG13 VAL A 55 -0.904 8.701 -6.301 1.00 0.39 H new ATOM 0 HG21 VAL A 55 1.052 6.708 -5.073 1.00 0.82 H new ATOM 0 HG22 VAL A 55 0.969 7.029 -6.821 1.00 0.82 H new ATOM 0 HG23 VAL A 55 2.516 7.199 -5.958 1.00 0.82 H new ATOM 835 N ASP A 56 0.457 8.835 -8.666 1.00 0.52 N ATOM 836 CA ASP A 56 0.326 8.143 -9.937 1.00 0.52 C ATOM 837 C ASP A 56 0.835 9.021 -11.071 1.00 0.62 C ATOM 838 O ASP A 56 0.148 9.943 -11.511 1.00 0.70 O ATOM 839 CB ASP A 56 -1.126 7.739 -10.189 1.00 0.53 C ATOM 840 CG ASP A 56 -1.240 6.758 -11.329 1.00 0.52 C ATOM 841 OD1 ASP A 56 -0.842 5.581 -11.149 1.00 0.52 O ATOM 842 OD2 ASP A 56 -1.720 7.153 -12.407 1.00 0.57 O ATOM 0 H ASP A 56 -0.419 9.191 -8.284 1.00 0.52 H new ATOM 0 HA ASP A 56 0.930 7.237 -9.896 1.00 0.52 H new ATOM 0 HB2 ASP A 56 -1.543 7.296 -9.284 1.00 0.53 H new ATOM 0 HB3 ASP A 56 -1.718 8.627 -10.412 1.00 0.53 H new ATOM 847 N ALA A 57 2.047 8.739 -11.526 1.00 0.68 N ATOM 848 CA ALA A 57 2.659 9.505 -12.597 1.00 0.81 C ATOM 849 C ALA A 57 2.297 8.942 -13.964 1.00 0.81 C ATOM 850 O ALA A 57 2.617 9.537 -14.994 1.00 0.88 O ATOM 851 CB ALA A 57 4.170 9.541 -12.412 1.00 0.90 C ATOM 0 H ALA A 57 2.627 7.981 -11.167 1.00 0.68 H new ATOM 0 HA ALA A 57 2.271 10.523 -12.552 1.00 0.81 H new ATOM 0 HB1 ALA A 57 4.622 10.117 -13.219 1.00 0.90 H new ATOM 0 HB2 ALA A 57 4.409 10.007 -11.456 1.00 0.90 H new ATOM 0 HB3 ALA A 57 4.563 8.524 -12.428 1.00 0.90 H new ATOM 857 N ASP A 58 1.644 7.789 -13.978 1.00 0.76 N ATOM 858 CA ASP A 58 1.246 7.157 -15.229 1.00 0.79 C ATOM 859 C ASP A 58 -0.026 7.797 -15.789 1.00 0.80 C ATOM 860 O ASP A 58 -0.255 7.800 -17.002 1.00 0.85 O ATOM 861 CB ASP A 58 1.092 5.630 -15.087 1.00 0.76 C ATOM 862 CG ASP A 58 0.769 5.127 -13.683 1.00 0.61 C ATOM 863 OD1 ASP A 58 1.364 5.585 -12.690 1.00 0.59 O ATOM 864 OD2 ASP A 58 -0.084 4.231 -13.543 1.00 0.62 O ATOM 0 H ASP A 58 1.379 7.272 -13.140 1.00 0.76 H new ATOM 0 HA ASP A 58 2.051 7.327 -15.944 1.00 0.79 H new ATOM 0 HB2 ASP A 58 0.304 5.298 -15.763 1.00 0.76 H new ATOM 0 HB3 ASP A 58 2.016 5.157 -15.419 1.00 0.76 H new ATOM 869 N GLY A 59 -0.854 8.336 -14.909 1.00 0.85 N ATOM 870 CA GLY A 59 -2.056 9.019 -15.346 1.00 0.90 C ATOM 871 C GLY A 59 -3.297 8.147 -15.400 1.00 0.91 C ATOM 872 O GLY A 59 -4.048 8.202 -16.371 1.00 1.03 O ATOM 0 H GLY A 59 -0.717 8.314 -13.899 1.00 0.85 H new ATOM 0 HA2 GLY A 59 -2.246 9.857 -14.675 1.00 0.90 H new ATOM 0 HA3 GLY A 59 -1.880 9.438 -16.337 1.00 0.90 H new ATOM 876 N ASN A 60 -3.519 7.342 -14.371 1.00 0.82 N ATOM 877 CA ASN A 60 -4.699 6.485 -14.320 1.00 0.85 C ATOM 878 C ASN A 60 -5.221 6.351 -12.891 1.00 0.78 C ATOM 879 O ASN A 60 -6.321 5.848 -12.673 1.00 0.93 O ATOM 880 CB ASN A 60 -4.402 5.101 -14.905 1.00 0.88 C ATOM 881 CG ASN A 60 -3.128 4.488 -14.359 1.00 0.93 C ATOM 882 OD1 ASN A 60 -3.028 4.162 -13.176 1.00 1.23 O ATOM 883 ND2 ASN A 60 -2.145 4.318 -15.224 1.00 1.61 N ATOM 0 H ASN A 60 -2.902 7.263 -13.563 1.00 0.82 H new ATOM 0 HA ASN A 60 -5.472 6.957 -14.927 1.00 0.85 H new ATOM 0 HB2 ASN A 60 -5.239 4.436 -14.693 1.00 0.88 H new ATOM 0 HB3 ASN A 60 -4.325 5.180 -15.989 1.00 0.88 H new ATOM 0 HD21 ASN A 60 -1.264 3.903 -14.920 1.00 1.61 H new ATOM 0 HD22 ASN A 60 -2.267 4.601 -16.196 1.00 1.61 H new ATOM 890 N GLY A 61 -4.425 6.795 -11.922 1.00 0.64 N ATOM 891 CA GLY A 61 -4.841 6.727 -10.529 1.00 0.63 C ATOM 892 C GLY A 61 -4.754 5.325 -9.964 1.00 0.58 C ATOM 893 O GLY A 61 -5.483 4.970 -9.038 1.00 0.67 O ATOM 0 H GLY A 61 -3.501 7.200 -12.074 1.00 0.64 H new ATOM 0 HA2 GLY A 61 -4.217 7.394 -9.934 1.00 0.63 H new ATOM 0 HA3 GLY A 61 -5.866 7.087 -10.442 1.00 0.63 H new ATOM 897 N THR A 62 -3.877 4.516 -10.530 1.00 0.53 N ATOM 898 CA THR A 62 -3.706 3.150 -10.078 1.00 0.52 C ATOM 899 C THR A 62 -2.230 2.767 -10.044 1.00 0.49 C ATOM 900 O THR A 62 -1.469 3.072 -10.971 1.00 0.54 O ATOM 901 CB THR A 62 -4.469 2.173 -10.997 1.00 0.58 C ATOM 902 OG1 THR A 62 -5.867 2.487 -10.992 1.00 0.65 O ATOM 903 CG2 THR A 62 -4.270 0.727 -10.565 1.00 0.65 C ATOM 0 H THR A 62 -3.271 4.784 -11.306 1.00 0.53 H new ATOM 0 HA THR A 62 -4.111 3.083 -9.068 1.00 0.52 H new ATOM 0 HB THR A 62 -4.069 2.284 -12.005 1.00 0.58 H new ATOM 0 HG1 THR A 62 -6.344 1.864 -11.579 1.00 0.65 H new ATOM 0 HG21 THR A 62 -4.822 0.068 -11.235 1.00 0.65 H new ATOM 0 HG22 THR A 62 -3.209 0.478 -10.604 1.00 0.65 H new ATOM 0 HG23 THR A 62 -4.636 0.598 -9.546 1.00 0.65 H new ATOM 911 N ILE A 63 -1.830 2.124 -8.953 1.00 0.47 N ATOM 912 CA ILE A 63 -0.459 1.666 -8.786 1.00 0.46 C ATOM 913 C ILE A 63 -0.423 0.149 -8.627 1.00 0.50 C ATOM 914 O ILE A 63 -1.030 -0.406 -7.707 1.00 0.48 O ATOM 915 CB ILE A 63 0.238 2.353 -7.574 1.00 0.43 C ATOM 916 CG1 ILE A 63 0.865 3.686 -8.017 1.00 0.44 C ATOM 917 CG2 ILE A 63 1.278 1.438 -6.926 1.00 0.45 C ATOM 918 CD1 ILE A 63 2.170 4.032 -7.316 1.00 0.42 C ATOM 0 H ILE A 63 -2.442 1.908 -8.166 1.00 0.47 H new ATOM 0 HA ILE A 63 0.092 1.945 -9.684 1.00 0.46 H new ATOM 0 HB ILE A 63 -0.518 2.557 -6.816 1.00 0.43 H new ATOM 0 HG12 ILE A 63 1.043 3.650 -9.092 1.00 0.44 H new ATOM 0 HG13 ILE A 63 0.148 4.487 -7.839 1.00 0.44 H new ATOM 0 HG21 ILE A 63 1.742 1.953 -6.085 1.00 0.45 H new ATOM 0 HG22 ILE A 63 0.792 0.529 -6.572 1.00 0.45 H new ATOM 0 HG23 ILE A 63 2.042 1.179 -7.659 1.00 0.45 H new ATOM 0 HD11 ILE A 63 2.541 4.987 -7.689 1.00 0.42 H new ATOM 0 HD12 ILE A 63 1.998 4.104 -6.242 1.00 0.42 H new ATOM 0 HD13 ILE A 63 2.907 3.254 -7.514 1.00 0.42 H new ATOM 930 N ASP A 64 0.263 -0.508 -9.550 1.00 0.57 N ATOM 931 CA ASP A 64 0.398 -1.954 -9.527 1.00 0.64 C ATOM 932 C ASP A 64 1.703 -2.348 -8.831 1.00 0.65 C ATOM 933 O ASP A 64 2.412 -1.492 -8.299 1.00 0.61 O ATOM 934 CB ASP A 64 0.374 -2.498 -10.962 1.00 0.70 C ATOM 935 CG ASP A 64 -0.146 -3.921 -11.051 1.00 0.82 C ATOM 936 OD1 ASP A 64 0.612 -4.858 -10.724 1.00 0.95 O ATOM 937 OD2 ASP A 64 -1.312 -4.108 -11.458 1.00 1.09 O ATOM 0 H ASP A 64 0.739 -0.056 -10.331 1.00 0.57 H new ATOM 0 HA ASP A 64 -0.435 -2.384 -8.971 1.00 0.64 H new ATOM 0 HB2 ASP A 64 -0.249 -1.851 -11.579 1.00 0.70 H new ATOM 0 HB3 ASP A 64 1.382 -2.459 -11.376 1.00 0.70 H new ATOM 942 N PHE A 65 2.022 -3.633 -8.863 1.00 0.73 N ATOM 943 CA PHE A 65 3.236 -4.152 -8.243 1.00 0.77 C ATOM 944 C PHE A 65 4.490 -3.453 -8.789 1.00 0.75 C ATOM 945 O PHE A 65 5.296 -2.946 -8.005 1.00 0.75 O ATOM 946 CB PHE A 65 3.342 -5.665 -8.457 1.00 0.88 C ATOM 947 CG PHE A 65 2.502 -6.478 -7.512 1.00 1.13 C ATOM 948 CD1 PHE A 65 1.116 -6.405 -7.543 1.00 1.40 C ATOM 949 CD2 PHE A 65 3.100 -7.325 -6.589 1.00 1.38 C ATOM 950 CE1 PHE A 65 0.349 -7.153 -6.673 1.00 1.70 C ATOM 951 CE2 PHE A 65 2.334 -8.076 -5.718 1.00 1.68 C ATOM 952 CZ PHE A 65 0.958 -7.987 -5.763 1.00 1.78 C ATOM 0 H PHE A 65 1.450 -4.345 -9.317 1.00 0.73 H new ATOM 0 HA PHE A 65 3.174 -3.947 -7.174 1.00 0.77 H new ATOM 0 HB2 PHE A 65 3.048 -5.898 -9.480 1.00 0.88 H new ATOM 0 HB3 PHE A 65 4.385 -5.964 -8.349 1.00 0.88 H new ATOM 0 HD1 PHE A 65 0.632 -5.755 -8.257 1.00 1.40 H new ATOM 0 HD2 PHE A 65 4.177 -7.398 -6.551 1.00 1.38 H new ATOM 0 HE1 PHE A 65 -0.728 -7.084 -6.706 1.00 1.70 H new ATOM 0 HE2 PHE A 65 2.811 -8.731 -5.004 1.00 1.68 H new ATOM 0 HZ PHE A 65 0.358 -8.573 -5.083 1.00 1.78 H new ATOM 962 N PRO A 66 4.686 -3.407 -10.138 1.00 0.76 N ATOM 963 CA PRO A 66 5.847 -2.739 -10.749 1.00 0.78 C ATOM 964 C PRO A 66 5.988 -1.284 -10.289 1.00 0.73 C ATOM 965 O PRO A 66 7.099 -0.794 -10.082 1.00 0.77 O ATOM 966 CB PRO A 66 5.556 -2.791 -12.260 1.00 0.79 C ATOM 967 CG PRO A 66 4.135 -3.208 -12.394 1.00 0.77 C ATOM 968 CD PRO A 66 3.825 -4.015 -11.172 1.00 0.79 C ATOM 0 HA PRO A 66 6.781 -3.226 -10.468 1.00 0.78 H new ATOM 0 HB2 PRO A 66 5.721 -1.818 -12.722 1.00 0.79 H new ATOM 0 HB3 PRO A 66 6.218 -3.498 -12.760 1.00 0.79 H new ATOM 0 HG2 PRO A 66 3.479 -2.341 -12.466 1.00 0.77 H new ATOM 0 HG3 PRO A 66 3.985 -3.797 -13.299 1.00 0.77 H new ATOM 0 HD2 PRO A 66 2.770 -3.952 -10.905 1.00 0.79 H new ATOM 0 HD3 PRO A 66 4.055 -5.070 -11.318 1.00 0.79 H new ATOM 976 N GLU A 67 4.858 -0.600 -10.118 1.00 0.66 N ATOM 977 CA GLU A 67 4.869 0.795 -9.679 1.00 0.62 C ATOM 978 C GLU A 67 5.241 0.887 -8.202 1.00 0.62 C ATOM 979 O GLU A 67 6.087 1.690 -7.806 1.00 0.64 O ATOM 980 CB GLU A 67 3.498 1.437 -9.899 1.00 0.58 C ATOM 981 CG GLU A 67 3.112 1.611 -11.354 1.00 0.60 C ATOM 982 CD GLU A 67 1.630 1.893 -11.514 1.00 0.54 C ATOM 983 OE1 GLU A 67 1.217 3.065 -11.335 1.00 0.52 O ATOM 984 OE2 GLU A 67 0.866 0.950 -11.786 1.00 0.61 O ATOM 0 H GLU A 67 3.927 -0.986 -10.276 1.00 0.66 H new ATOM 0 HA GLU A 67 5.613 1.329 -10.270 1.00 0.62 H new ATOM 0 HB2 GLU A 67 2.742 0.826 -9.406 1.00 0.58 H new ATOM 0 HB3 GLU A 67 3.486 2.413 -9.414 1.00 0.58 H new ATOM 0 HG2 GLU A 67 3.687 2.430 -11.787 1.00 0.60 H new ATOM 0 HG3 GLU A 67 3.373 0.710 -11.909 1.00 0.60 H new ATOM 991 N PHE A 68 4.616 0.033 -7.407 1.00 0.60 N ATOM 992 CA PHE A 68 4.843 -0.009 -5.967 1.00 0.59 C ATOM 993 C PHE A 68 6.306 -0.294 -5.652 1.00 0.63 C ATOM 994 O PHE A 68 6.869 0.268 -4.710 1.00 0.67 O ATOM 995 CB PHE A 68 3.949 -1.081 -5.336 1.00 0.60 C ATOM 996 CG PHE A 68 3.991 -1.099 -3.835 1.00 0.58 C ATOM 997 CD1 PHE A 68 3.209 -0.224 -3.098 1.00 0.55 C ATOM 998 CD2 PHE A 68 4.809 -1.994 -3.162 1.00 0.71 C ATOM 999 CE1 PHE A 68 3.245 -0.237 -1.717 1.00 0.62 C ATOM 1000 CE2 PHE A 68 4.849 -2.011 -1.783 1.00 0.77 C ATOM 1001 CZ PHE A 68 4.064 -1.132 -1.058 1.00 0.71 C ATOM 0 H PHE A 68 3.937 -0.651 -7.740 1.00 0.60 H new ATOM 0 HA PHE A 68 4.592 0.966 -5.548 1.00 0.59 H new ATOM 0 HB2 PHE A 68 2.921 -0.920 -5.659 1.00 0.60 H new ATOM 0 HB3 PHE A 68 4.251 -2.059 -5.710 1.00 0.60 H new ATOM 0 HD1 PHE A 68 2.564 0.476 -3.609 1.00 0.55 H new ATOM 0 HD2 PHE A 68 5.421 -2.685 -3.723 1.00 0.71 H new ATOM 0 HE1 PHE A 68 2.633 0.452 -1.154 1.00 0.62 H new ATOM 0 HE2 PHE A 68 5.493 -2.710 -1.270 1.00 0.77 H new ATOM 0 HZ PHE A 68 4.092 -1.146 0.022 1.00 0.71 H new ATOM 1011 N LEU A 69 6.919 -1.156 -6.459 1.00 0.66 N ATOM 1012 CA LEU A 69 8.318 -1.528 -6.280 1.00 0.72 C ATOM 1013 C LEU A 69 9.242 -0.318 -6.370 1.00 0.76 C ATOM 1014 O LEU A 69 10.295 -0.283 -5.741 1.00 0.82 O ATOM 1015 CB LEU A 69 8.719 -2.565 -7.330 1.00 0.75 C ATOM 1016 CG LEU A 69 8.160 -3.976 -7.104 1.00 0.79 C ATOM 1017 CD1 LEU A 69 8.546 -4.894 -8.254 1.00 0.82 C ATOM 1018 CD2 LEU A 69 8.655 -4.540 -5.779 1.00 0.90 C ATOM 0 H LEU A 69 6.464 -1.613 -7.249 1.00 0.66 H new ATOM 0 HA LEU A 69 8.423 -1.954 -5.282 1.00 0.72 H new ATOM 0 HB2 LEU A 69 8.390 -2.214 -8.308 1.00 0.75 H new ATOM 0 HB3 LEU A 69 9.807 -2.624 -7.362 1.00 0.75 H new ATOM 0 HG LEU A 69 7.072 -3.913 -7.066 1.00 0.79 H new ATOM 0 HD11 LEU A 69 8.141 -5.890 -8.076 1.00 0.82 H new ATOM 0 HD12 LEU A 69 8.142 -4.499 -9.186 1.00 0.82 H new ATOM 0 HD13 LEU A 69 9.632 -4.951 -8.325 1.00 0.82 H new ATOM 0 HD21 LEU A 69 8.249 -5.541 -5.635 1.00 0.90 H new ATOM 0 HD22 LEU A 69 9.744 -4.588 -5.788 1.00 0.90 H new ATOM 0 HD23 LEU A 69 8.327 -3.895 -4.964 1.00 0.90 H new ATOM 1030 N THR A 70 8.843 0.674 -7.148 1.00 0.75 N ATOM 1031 CA THR A 70 9.643 1.874 -7.306 1.00 0.82 C ATOM 1032 C THR A 70 9.173 2.975 -6.354 1.00 0.78 C ATOM 1033 O THR A 70 9.978 3.720 -5.793 1.00 0.98 O ATOM 1034 CB THR A 70 9.566 2.381 -8.757 1.00 0.89 C ATOM 1035 OG1 THR A 70 9.396 1.270 -9.653 1.00 0.95 O ATOM 1036 CG2 THR A 70 10.821 3.156 -9.138 1.00 1.02 C ATOM 0 H THR A 70 7.972 0.671 -7.678 1.00 0.75 H new ATOM 0 HA THR A 70 10.676 1.621 -7.066 1.00 0.82 H new ATOM 0 HB THR A 70 8.711 3.053 -8.836 1.00 0.89 H new ATOM 0 HG1 THR A 70 9.346 1.598 -10.575 1.00 0.95 H new ATOM 0 HG21 THR A 70 10.737 3.501 -10.168 1.00 1.02 H new ATOM 0 HG22 THR A 70 10.934 4.014 -8.476 1.00 1.02 H new ATOM 0 HG23 THR A 70 11.692 2.508 -9.043 1.00 1.02 H new ATOM 1044 N MET A 71 7.858 3.052 -6.169 1.00 0.69 N ATOM 1045 CA MET A 71 7.242 4.055 -5.305 1.00 0.66 C ATOM 1046 C MET A 71 7.729 3.947 -3.861 1.00 0.66 C ATOM 1047 O MET A 71 8.145 4.939 -3.266 1.00 0.69 O ATOM 1048 CB MET A 71 5.717 3.911 -5.356 1.00 0.67 C ATOM 1049 CG MET A 71 4.976 4.759 -4.333 1.00 0.68 C ATOM 1050 SD MET A 71 4.975 6.515 -4.742 1.00 0.63 S ATOM 1051 CE MET A 71 4.200 7.194 -3.278 1.00 0.67 C ATOM 0 H MET A 71 7.190 2.422 -6.613 1.00 0.69 H new ATOM 0 HA MET A 71 7.535 5.038 -5.674 1.00 0.66 H new ATOM 0 HB2 MET A 71 5.371 4.181 -6.354 1.00 0.67 H new ATOM 0 HB3 MET A 71 5.457 2.864 -5.200 1.00 0.67 H new ATOM 0 HG2 MET A 71 3.947 4.409 -4.256 1.00 0.68 H new ATOM 0 HG3 MET A 71 5.434 4.620 -3.354 1.00 0.68 H new ATOM 0 HE1 MET A 71 4.157 8.280 -3.359 1.00 0.67 H new ATOM 0 HE2 MET A 71 3.189 6.797 -3.184 1.00 0.67 H new ATOM 0 HE3 MET A 71 4.781 6.919 -2.398 1.00 0.67 H new ATOM 1061 N MET A 72 7.708 2.740 -3.313 1.00 0.71 N ATOM 1062 CA MET A 72 8.120 2.525 -1.928 1.00 0.77 C ATOM 1063 C MET A 72 9.618 2.250 -1.816 1.00 0.84 C ATOM 1064 O MET A 72 10.070 1.601 -0.873 1.00 0.99 O ATOM 1065 CB MET A 72 7.332 1.368 -1.316 1.00 0.84 C ATOM 1066 CG MET A 72 6.221 1.832 -0.380 1.00 0.79 C ATOM 1067 SD MET A 72 4.984 2.848 -1.212 1.00 0.65 S ATOM 1068 CE MET A 72 4.044 3.447 0.189 1.00 0.64 C ATOM 0 H MET A 72 7.411 1.896 -3.802 1.00 0.71 H new ATOM 0 HA MET A 72 7.908 3.442 -1.378 1.00 0.77 H new ATOM 0 HB2 MET A 72 6.898 0.768 -2.116 1.00 0.84 H new ATOM 0 HB3 MET A 72 8.016 0.721 -0.767 1.00 0.84 H new ATOM 0 HG2 MET A 72 5.734 0.961 0.058 1.00 0.79 H new ATOM 0 HG3 MET A 72 6.658 2.400 0.442 1.00 0.79 H new ATOM 0 HE1 MET A 72 3.014 3.632 -0.116 1.00 0.64 H new ATOM 0 HE2 MET A 72 4.059 2.701 0.983 1.00 0.64 H new ATOM 0 HE3 MET A 72 4.486 4.374 0.554 1.00 0.64 H new ATOM 1078 N ALA A 73 10.386 2.745 -2.775 1.00 0.92 N ATOM 1079 CA ALA A 73 11.826 2.546 -2.765 1.00 0.99 C ATOM 1080 C ALA A 73 12.571 3.858 -3.016 1.00 1.02 C ATOM 1081 O ALA A 73 13.621 4.115 -2.424 1.00 1.21 O ATOM 1082 CB ALA A 73 12.222 1.505 -3.804 1.00 1.06 C ATOM 0 H ALA A 73 10.037 3.285 -3.567 1.00 0.92 H new ATOM 0 HA ALA A 73 12.108 2.185 -1.776 1.00 0.99 H new ATOM 0 HB1 ALA A 73 13.303 1.366 -3.786 1.00 1.06 H new ATOM 0 HB2 ALA A 73 11.730 0.559 -3.577 1.00 1.06 H new ATOM 0 HB3 ALA A 73 11.916 1.844 -4.794 1.00 1.06 H new ATOM 1088 N ARG A 74 12.016 4.700 -3.884 1.00 0.99 N ATOM 1089 CA ARG A 74 12.639 5.972 -4.229 1.00 1.04 C ATOM 1090 C ARG A 74 12.309 7.061 -3.205 1.00 0.99 C ATOM 1091 O ARG A 74 11.670 8.064 -3.534 1.00 1.02 O ATOM 1092 CB ARG A 74 12.177 6.415 -5.613 1.00 1.13 C ATOM 1093 CG ARG A 74 13.318 6.748 -6.560 1.00 1.37 C ATOM 1094 CD ARG A 74 14.123 7.950 -6.080 1.00 1.71 C ATOM 1095 NE ARG A 74 13.267 9.094 -5.763 1.00 1.78 N ATOM 1096 CZ ARG A 74 13.115 10.162 -6.550 1.00 2.20 C ATOM 1097 NH1 ARG A 74 13.741 10.225 -7.722 1.00 2.56 N ATOM 1098 NH2 ARG A 74 12.340 11.171 -6.160 1.00 2.56 N ATOM 0 H ARG A 74 11.133 4.522 -4.362 1.00 0.99 H new ATOM 0 HA ARG A 74 13.719 5.824 -4.227 1.00 1.04 H new ATOM 0 HB2 ARG A 74 11.570 5.625 -6.054 1.00 1.13 H new ATOM 0 HB3 ARG A 74 11.535 7.290 -5.509 1.00 1.13 H new ATOM 0 HG2 ARG A 74 13.976 5.884 -6.653 1.00 1.37 H new ATOM 0 HG3 ARG A 74 12.918 6.952 -7.553 1.00 1.37 H new ATOM 0 HD2 ARG A 74 14.698 7.672 -5.197 1.00 1.71 H new ATOM 0 HD3 ARG A 74 14.840 8.236 -6.849 1.00 1.71 H new ATOM 0 HE ARG A 74 12.752 9.074 -4.883 1.00 1.78 H new ATOM 0 HH11 ARG A 74 14.340 9.456 -8.022 1.00 2.56 H new ATOM 0 HH12 ARG A 74 13.622 11.043 -8.320 1.00 2.56 H new ATOM 0 HH21 ARG A 74 11.862 11.129 -5.260 1.00 2.56 H new ATOM 0 HH22 ARG A 74 12.224 11.987 -6.761 1.00 2.56 H new ATOM 1213 N ARG B 287 3.602 15.596 0.423 1.00 0.99 N ATOM 1214 CA ARG B 287 3.636 14.900 -0.879 1.00 0.79 C ATOM 1215 C ARG B 287 3.066 13.493 -0.741 1.00 0.66 C ATOM 1216 O ARG B 287 3.137 12.891 0.328 1.00 0.65 O ATOM 1217 CB ARG B 287 5.068 14.824 -1.412 1.00 0.87 C ATOM 1218 CG ARG B 287 5.158 14.545 -2.911 1.00 0.86 C ATOM 1219 CD ARG B 287 5.694 15.749 -3.677 1.00 1.18 C ATOM 1220 NE ARG B 287 4.615 16.571 -4.214 1.00 1.77 N ATOM 1221 CZ ARG B 287 4.509 16.918 -5.498 1.00 2.50 C ATOM 1222 NH1 ARG B 287 5.462 16.596 -6.371 1.00 2.87 N ATOM 1223 NH2 ARG B 287 3.443 17.590 -5.908 1.00 3.11 N ATOM 0 HA ARG B 287 3.027 15.466 -1.584 1.00 0.79 H new ATOM 0 HB2 ARG B 287 5.575 15.764 -1.197 1.00 0.87 H new ATOM 0 HB3 ARG B 287 5.604 14.042 -0.874 1.00 0.87 H new ATOM 0 HG2 ARG B 287 5.807 13.686 -3.083 1.00 0.86 H new ATOM 0 HG3 ARG B 287 4.171 14.281 -3.292 1.00 0.86 H new ATOM 0 HD2 ARG B 287 6.317 16.352 -3.017 1.00 1.18 H new ATOM 0 HD3 ARG B 287 6.331 15.407 -4.492 1.00 1.18 H new ATOM 0 HE ARG B 287 3.898 16.901 -3.568 1.00 1.77 H new ATOM 0 HH11 ARG B 287 6.284 16.078 -6.061 1.00 2.87 H new ATOM 0 HH12 ARG B 287 5.369 16.867 -7.350 1.00 2.87 H new ATOM 0 HH21 ARG B 287 2.710 17.839 -5.243 1.00 3.11 H new ATOM 0 HH22 ARG B 287 3.355 17.859 -6.888 1.00 3.11 H new ATOM 1239 N ALA B 288 2.496 12.972 -1.826 1.00 0.60 N ATOM 1240 CA ALA B 288 1.923 11.633 -1.830 1.00 0.51 C ATOM 1241 C ALA B 288 2.971 10.603 -1.499 1.00 0.50 C ATOM 1242 O ALA B 288 2.674 9.580 -0.890 1.00 0.48 O ATOM 1243 CB ALA B 288 1.302 11.320 -3.176 1.00 0.54 C ATOM 0 H ALA B 288 2.420 13.462 -2.717 1.00 0.60 H new ATOM 0 HA ALA B 288 1.145 11.600 -1.067 1.00 0.51 H new ATOM 0 HB1 ALA B 288 0.880 10.315 -3.157 1.00 0.54 H new ATOM 0 HB2 ALA B 288 0.513 12.041 -3.389 1.00 0.54 H new ATOM 0 HB3 ALA B 288 2.066 11.378 -3.951 1.00 0.54 H new ATOM 1249 N ALA B 289 4.203 10.872 -1.877 1.00 0.54 N ATOM 1250 CA ALA B 289 5.286 9.945 -1.600 1.00 0.57 C ATOM 1251 C ALA B 289 5.587 9.873 -0.119 1.00 0.58 C ATOM 1252 O ALA B 289 6.404 9.074 0.290 1.00 0.65 O ATOM 1253 CB ALA B 289 6.528 10.290 -2.387 1.00 0.65 C ATOM 0 H ALA B 289 4.481 11.718 -2.374 1.00 0.54 H new ATOM 0 HA ALA B 289 4.954 8.958 -1.922 1.00 0.57 H new ATOM 0 HB1 ALA B 289 7.317 9.575 -2.154 1.00 0.65 H new ATOM 0 HB2 ALA B 289 6.306 10.250 -3.453 1.00 0.65 H new ATOM 0 HB3 ALA B 289 6.859 11.294 -2.123 1.00 0.65 H new ATOM 1259 N ASN B 290 5.071 10.818 0.646 1.00 0.56 N ATOM 1260 CA ASN B 290 5.198 10.803 2.102 1.00 0.58 C ATOM 1261 C ASN B 290 3.878 10.335 2.720 1.00 0.53 C ATOM 1262 O ASN B 290 3.844 9.598 3.703 1.00 0.53 O ATOM 1263 CB ASN B 290 5.579 12.189 2.611 1.00 0.66 C ATOM 1264 CG ASN B 290 6.817 12.751 1.937 1.00 0.74 C ATOM 1265 OD1 ASN B 290 6.865 12.878 0.712 1.00 0.76 O ATOM 1266 ND2 ASN B 290 7.810 13.121 2.726 1.00 0.87 N ATOM 0 H ASN B 290 4.553 11.618 0.282 1.00 0.56 H new ATOM 0 HA ASN B 290 5.987 10.110 2.394 1.00 0.58 H new ATOM 0 HB2 ASN B 290 4.744 12.871 2.450 1.00 0.66 H new ATOM 0 HB3 ASN B 290 5.748 12.141 3.687 1.00 0.66 H new ATOM 0 HD21 ASN B 290 8.655 13.528 2.325 1.00 0.87 H new ATOM 0 HD22 ASN B 290 7.732 12.999 3.736 1.00 0.87 H new ATOM 1273 N LEU B 291 2.761 10.784 2.128 1.00 0.51 N ATOM 1274 CA LEU B 291 1.434 10.420 2.619 1.00 0.48 C ATOM 1275 C LEU B 291 1.099 8.975 2.277 1.00 0.46 C ATOM 1276 O LEU B 291 0.093 8.448 2.734 1.00 0.71 O ATOM 1277 CB LEU B 291 0.374 11.365 2.055 1.00 0.50 C ATOM 1278 CG LEU B 291 -0.285 12.295 3.086 1.00 0.58 C ATOM 1279 CD1 LEU B 291 0.669 13.399 3.501 1.00 1.37 C ATOM 1280 CD2 LEU B 291 -1.572 12.888 2.531 1.00 1.18 C ATOM 0 H LEU B 291 2.755 11.397 1.313 1.00 0.51 H new ATOM 0 HA LEU B 291 1.440 10.515 3.705 1.00 0.48 H new ATOM 0 HB2 LEU B 291 0.831 11.976 1.277 1.00 0.50 H new ATOM 0 HB3 LEU B 291 -0.404 10.770 1.576 1.00 0.50 H new ATOM 0 HG LEU B 291 -0.530 11.702 3.967 1.00 0.58 H new ATOM 0 HD11 LEU B 291 0.182 14.045 4.231 1.00 1.37 H new ATOM 0 HD12 LEU B 291 1.563 12.960 3.944 1.00 1.37 H new ATOM 0 HD13 LEU B 291 0.949 13.986 2.626 1.00 1.37 H new ATOM 0 HD21 LEU B 291 -2.022 13.543 3.277 1.00 1.18 H new ATOM 0 HD22 LEU B 291 -1.350 13.462 1.631 1.00 1.18 H new ATOM 0 HD23 LEU B 291 -2.267 12.085 2.287 1.00 1.18 H new ATOM 1292 N TRP B 292 1.923 8.364 1.439 1.00 0.41 N ATOM 1293 CA TRP B 292 1.774 6.953 1.093 1.00 0.39 C ATOM 1294 C TRP B 292 2.535 6.129 2.145 1.00 0.41 C ATOM 1295 O TRP B 292 1.993 5.183 2.710 1.00 0.41 O ATOM 1296 CB TRP B 292 2.262 6.671 -0.341 1.00 0.42 C ATOM 1297 CG TRP B 292 1.164 6.703 -1.367 1.00 0.37 C ATOM 1298 CD1 TRP B 292 0.158 7.626 -1.485 1.00 0.36 C ATOM 1299 CD2 TRP B 292 0.979 5.787 -2.442 1.00 0.37 C ATOM 1300 NE1 TRP B 292 -0.632 7.331 -2.557 1.00 0.34 N ATOM 1301 CE2 TRP B 292 -0.148 6.215 -3.165 1.00 0.35 C ATOM 1302 CE3 TRP B 292 1.660 4.646 -2.866 1.00 0.40 C ATOM 1303 CZ2 TRP B 292 -0.603 5.552 -4.289 1.00 0.38 C ATOM 1304 CZ3 TRP B 292 1.204 3.986 -3.985 1.00 0.42 C ATOM 1305 CH2 TRP B 292 0.084 4.444 -4.687 1.00 0.42 C ATOM 0 H TRP B 292 2.709 8.826 0.981 1.00 0.41 H new ATOM 0 HA TRP B 292 0.722 6.668 1.104 1.00 0.39 H new ATOM 0 HB2 TRP B 292 3.020 7.407 -0.609 1.00 0.42 H new ATOM 0 HB3 TRP B 292 2.743 5.693 -0.366 1.00 0.42 H new ATOM 0 HD1 TRP B 292 0.012 8.467 -0.824 1.00 0.36 H new ATOM 0 HE1 TRP B 292 -1.452 7.861 -2.854 1.00 0.34 H new ATOM 0 HE3 TRP B 292 2.526 4.288 -2.329 1.00 0.40 H new ATOM 0 HZ2 TRP B 292 -1.470 5.899 -4.832 1.00 0.38 H new ATOM 0 HZ3 TRP B 292 1.719 3.100 -4.326 1.00 0.42 H new ATOM 0 HH2 TRP B 292 -0.244 3.907 -5.565 1.00 0.42 H new ATOM 1316 N PRO B 293 3.830 6.448 2.387 1.00 0.44 N ATOM 1317 CA PRO B 293 4.637 5.818 3.445 1.00 0.48 C ATOM 1318 C PRO B 293 3.955 5.847 4.808 1.00 0.46 C ATOM 1319 O PRO B 293 4.117 4.922 5.603 1.00 0.47 O ATOM 1320 CB PRO B 293 5.890 6.696 3.453 1.00 0.53 C ATOM 1321 CG PRO B 293 6.056 6.997 2.038 1.00 0.54 C ATOM 1322 CD PRO B 293 4.666 7.323 1.568 1.00 0.49 C ATOM 0 HA PRO B 293 4.820 4.760 3.258 1.00 0.48 H new ATOM 0 HB2 PRO B 293 5.752 7.598 4.049 1.00 0.53 H new ATOM 0 HB3 PRO B 293 6.753 6.172 3.863 1.00 0.53 H new ATOM 0 HG2 PRO B 293 6.735 7.836 1.886 1.00 0.54 H new ATOM 0 HG3 PRO B 293 6.471 6.148 1.496 1.00 0.54 H new ATOM 0 HD2 PRO B 293 4.423 8.374 1.723 1.00 0.49 H new ATOM 0 HD3 PRO B 293 4.542 7.121 0.504 1.00 0.49 H new ATOM 1330 N SER B 294 3.198 6.907 5.076 1.00 0.47 N ATOM 1331 CA SER B 294 2.495 7.031 6.348 1.00 0.47 C ATOM 1332 C SER B 294 1.542 5.833 6.571 1.00 0.42 C ATOM 1333 O SER B 294 1.696 5.119 7.563 1.00 0.40 O ATOM 1334 CB SER B 294 1.784 8.392 6.452 1.00 0.53 C ATOM 1335 OG SER B 294 0.875 8.427 7.544 1.00 0.95 O ATOM 0 H SER B 294 3.056 7.687 4.434 1.00 0.47 H new ATOM 0 HA SER B 294 3.225 7.001 7.157 1.00 0.47 H new ATOM 0 HB2 SER B 294 2.526 9.182 6.570 1.00 0.53 H new ATOM 0 HB3 SER B 294 1.247 8.594 5.525 1.00 0.53 H new ATOM 0 HG SER B 294 0.443 9.306 7.582 1.00 0.95 H new ATOM 1341 N PRO B 295 0.535 5.587 5.691 1.00 0.44 N ATOM 1342 CA PRO B 295 -0.346 4.413 5.820 1.00 0.43 C ATOM 1343 C PRO B 295 0.446 3.109 5.860 1.00 0.40 C ATOM 1344 O PRO B 295 0.062 2.158 6.540 1.00 0.43 O ATOM 1345 CB PRO B 295 -1.194 4.478 4.551 1.00 0.50 C ATOM 1346 CG PRO B 295 -1.238 5.919 4.209 1.00 0.54 C ATOM 1347 CD PRO B 295 0.118 6.443 4.578 1.00 0.53 C ATOM 0 HA PRO B 295 -0.927 4.429 6.742 1.00 0.43 H new ATOM 0 HB2 PRO B 295 -0.750 3.892 3.746 1.00 0.50 H new ATOM 0 HB3 PRO B 295 -2.194 4.079 4.721 1.00 0.50 H new ATOM 0 HG2 PRO B 295 -1.444 6.068 3.149 1.00 0.54 H new ATOM 0 HG3 PRO B 295 -2.024 6.433 4.762 1.00 0.54 H new ATOM 0 HD2 PRO B 295 0.813 6.377 3.741 1.00 0.53 H new ATOM 0 HD3 PRO B 295 0.074 7.491 4.874 1.00 0.53 H new ATOM 1355 N LEU B 296 1.552 3.065 5.124 1.00 0.38 N ATOM 1356 CA LEU B 296 2.401 1.881 5.106 1.00 0.37 C ATOM 1357 C LEU B 296 3.016 1.667 6.485 1.00 0.39 C ATOM 1358 O LEU B 296 3.224 0.536 6.921 1.00 0.43 O ATOM 1359 CB LEU B 296 3.494 2.002 4.051 1.00 0.38 C ATOM 1360 CG LEU B 296 4.106 0.666 3.617 1.00 0.43 C ATOM 1361 CD1 LEU B 296 3.180 -0.051 2.641 1.00 0.46 C ATOM 1362 CD2 LEU B 296 5.476 0.886 3.001 1.00 0.56 C ATOM 0 H LEU B 296 1.879 3.831 4.536 1.00 0.38 H new ATOM 0 HA LEU B 296 1.785 1.020 4.849 1.00 0.37 H new ATOM 0 HB2 LEU B 296 3.082 2.501 3.174 1.00 0.38 H new ATOM 0 HB3 LEU B 296 4.287 2.642 4.438 1.00 0.38 H new ATOM 0 HG LEU B 296 4.227 0.035 4.498 1.00 0.43 H new ATOM 0 HD11 LEU B 296 3.629 -0.998 2.342 1.00 0.46 H new ATOM 0 HD12 LEU B 296 2.220 -0.240 3.122 1.00 0.46 H new ATOM 0 HD13 LEU B 296 3.027 0.572 1.760 1.00 0.46 H new ATOM 0 HD21 LEU B 296 5.897 -0.073 2.698 1.00 0.56 H new ATOM 0 HD22 LEU B 296 5.383 1.533 2.129 1.00 0.56 H new ATOM 0 HD23 LEU B 296 6.133 1.356 3.733 1.00 0.56 H new ATOM 1374 N MET B 297 3.294 2.774 7.167 1.00 0.39 N ATOM 1375 CA MET B 297 3.843 2.738 8.516 1.00 0.42 C ATOM 1376 C MET B 297 2.779 2.181 9.456 1.00 0.41 C ATOM 1377 O MET B 297 3.077 1.483 10.430 1.00 0.45 O ATOM 1378 CB MET B 297 4.292 4.150 8.927 1.00 0.45 C ATOM 1379 CG MET B 297 4.117 4.481 10.400 1.00 0.81 C ATOM 1380 SD MET B 297 4.422 6.226 10.748 1.00 1.30 S ATOM 1381 CE MET B 297 3.871 6.339 12.449 1.00 1.79 C ATOM 0 H MET B 297 3.146 3.715 6.802 1.00 0.39 H new ATOM 0 HA MET B 297 4.719 2.091 8.563 1.00 0.42 H new ATOM 0 HB2 MET B 297 5.344 4.270 8.666 1.00 0.45 H new ATOM 0 HB3 MET B 297 3.733 4.877 8.339 1.00 0.45 H new ATOM 0 HG2 MET B 297 3.105 4.222 10.711 1.00 0.81 H new ATOM 0 HG3 MET B 297 4.799 3.870 10.991 1.00 0.81 H new ATOM 0 HE1 MET B 297 3.998 7.361 12.805 1.00 1.79 H new ATOM 0 HE2 MET B 297 2.819 6.061 12.510 1.00 1.79 H new ATOM 0 HE3 MET B 297 4.461 5.663 13.068 1.00 1.79 H new ATOM 1391 N ILE B 298 1.529 2.484 9.134 1.00 0.41 N ATOM 1392 CA ILE B 298 0.397 1.980 9.897 1.00 0.43 C ATOM 1393 C ILE B 298 0.277 0.480 9.644 1.00 0.44 C ATOM 1394 O ILE B 298 -0.025 -0.302 10.549 1.00 0.47 O ATOM 1395 CB ILE B 298 -0.925 2.699 9.503 1.00 0.45 C ATOM 1396 CG1 ILE B 298 -0.807 4.218 9.729 1.00 0.47 C ATOM 1397 CG2 ILE B 298 -2.106 2.135 10.290 1.00 0.50 C ATOM 1398 CD1 ILE B 298 -0.439 4.604 11.150 1.00 0.46 C ATOM 0 H ILE B 298 1.273 3.079 8.346 1.00 0.41 H new ATOM 0 HA ILE B 298 0.566 2.176 10.956 1.00 0.43 H new ATOM 0 HB ILE B 298 -1.102 2.520 8.443 1.00 0.45 H new ATOM 0 HG12 ILE B 298 -0.056 4.619 9.048 1.00 0.47 H new ATOM 0 HG13 ILE B 298 -1.756 4.688 9.470 1.00 0.47 H new ATOM 0 HG21 ILE B 298 -3.019 2.653 9.997 1.00 0.50 H new ATOM 0 HG22 ILE B 298 -2.209 1.071 10.078 1.00 0.50 H new ATOM 0 HG23 ILE B 298 -1.934 2.278 11.357 1.00 0.50 H new ATOM 0 HD11 ILE B 298 -0.376 5.689 11.227 1.00 0.46 H new ATOM 0 HD12 ILE B 298 -1.201 4.235 11.836 1.00 0.46 H new ATOM 0 HD13 ILE B 298 0.525 4.165 11.408 1.00 0.46 H new ATOM 1410 N LYS B 299 0.554 0.092 8.403 1.00 0.42 N ATOM 1411 CA LYS B 299 0.528 -1.307 8.002 1.00 0.45 C ATOM 1412 C LYS B 299 1.596 -2.071 8.774 1.00 0.45 C ATOM 1413 O LYS B 299 1.364 -3.186 9.234 1.00 0.51 O ATOM 1414 CB LYS B 299 0.770 -1.449 6.488 1.00 0.45 C ATOM 1415 CG LYS B 299 0.233 -2.751 5.898 1.00 0.44 C ATOM 1416 CD LYS B 299 1.336 -3.595 5.256 1.00 0.45 C ATOM 1417 CE LYS B 299 2.414 -3.986 6.247 1.00 0.45 C ATOM 1418 NZ LYS B 299 3.784 -3.686 5.739 1.00 0.49 N ATOM 0 H LYS B 299 0.801 0.736 7.652 1.00 0.42 H new ATOM 0 HA LYS B 299 -0.455 -1.719 8.228 1.00 0.45 H new ATOM 0 HB2 LYS B 299 0.303 -0.608 5.974 1.00 0.45 H new ATOM 0 HB3 LYS B 299 1.841 -1.387 6.293 1.00 0.45 H new ATOM 0 HG2 LYS B 299 -0.254 -3.330 6.683 1.00 0.44 H new ATOM 0 HG3 LYS B 299 -0.528 -2.523 5.152 1.00 0.44 H new ATOM 0 HD2 LYS B 299 0.897 -4.496 4.826 1.00 0.45 H new ATOM 0 HD3 LYS B 299 1.786 -3.037 4.435 1.00 0.45 H new ATOM 0 HE2 LYS B 299 2.252 -3.455 7.185 1.00 0.45 H new ATOM 0 HE3 LYS B 299 2.335 -5.051 6.466 1.00 0.45 H new ATOM 0 HZ1 LYS B 299 4.449 -3.643 6.538 1.00 0.49 H new ATOM 0 HZ2 LYS B 299 4.081 -4.434 5.080 1.00 0.49 H new ATOM 0 HZ3 LYS B 299 3.778 -2.771 5.244 1.00 0.49 H new ATOM 1432 N ARG B 300 2.772 -1.461 8.904 1.00 0.43 N ATOM 1433 CA ARG B 300 3.877 -2.066 9.638 1.00 0.47 C ATOM 1434 C ARG B 300 3.464 -2.269 11.091 1.00 0.50 C ATOM 1435 O ARG B 300 3.768 -3.294 11.696 1.00 0.54 O ATOM 1436 CB ARG B 300 5.124 -1.176 9.564 1.00 0.48 C ATOM 1437 CG ARG B 300 6.433 -1.939 9.358 1.00 1.11 C ATOM 1438 CD ARG B 300 6.732 -2.897 10.508 1.00 1.25 C ATOM 1439 NE ARG B 300 8.169 -3.128 10.684 1.00 1.44 N ATOM 1440 CZ ARG B 300 8.875 -4.036 10.010 1.00 1.91 C ATOM 1441 NH1 ARG B 300 8.290 -4.800 9.095 1.00 2.30 N ATOM 1442 NH2 ARG B 300 10.174 -4.176 10.248 1.00 2.44 N ATOM 0 H ARG B 300 2.983 -0.545 8.508 1.00 0.43 H new ATOM 0 HA ARG B 300 4.118 -3.030 9.189 1.00 0.47 H new ATOM 0 HB2 ARG B 300 5.000 -0.465 8.748 1.00 0.48 H new ATOM 0 HB3 ARG B 300 5.197 -0.596 10.484 1.00 0.48 H new ATOM 0 HG2 ARG B 300 6.381 -2.500 8.425 1.00 1.11 H new ATOM 0 HG3 ARG B 300 7.253 -1.228 9.257 1.00 1.11 H new ATOM 0 HD2 ARG B 300 6.316 -2.493 11.431 1.00 1.25 H new ATOM 0 HD3 ARG B 300 6.234 -3.849 10.323 1.00 1.25 H new ATOM 0 HE ARG B 300 8.662 -2.555 11.369 1.00 1.44 H new ATOM 0 HH11 ARG B 300 7.294 -4.694 8.904 1.00 2.30 H new ATOM 0 HH12 ARG B 300 8.837 -5.493 8.583 1.00 2.30 H new ATOM 0 HH21 ARG B 300 10.631 -3.589 10.946 1.00 2.44 H new ATOM 0 HH22 ARG B 300 10.715 -4.871 9.733 1.00 2.44 H new ATOM 1456 N SER B 301 2.760 -1.284 11.632 1.00 0.50 N ATOM 1457 CA SER B 301 2.283 -1.348 13.004 1.00 0.55 C ATOM 1458 C SER B 301 1.275 -2.487 13.155 1.00 0.59 C ATOM 1459 O SER B 301 1.281 -3.206 14.155 1.00 0.66 O ATOM 1460 CB SER B 301 1.662 -0.003 13.401 1.00 0.56 C ATOM 1461 OG SER B 301 2.622 1.041 13.302 1.00 0.59 O ATOM 0 H SER B 301 2.507 -0.428 11.138 1.00 0.50 H new ATOM 0 HA SER B 301 3.121 -1.548 13.671 1.00 0.55 H new ATOM 0 HB2 SER B 301 0.811 0.216 12.755 1.00 0.56 H new ATOM 0 HB3 SER B 301 1.282 -0.059 14.421 1.00 0.56 H new ATOM 0 HG SER B 301 2.809 1.225 12.358 1.00 0.59 H new ATOM 1467 N LYS B 302 0.429 -2.656 12.145 1.00 0.58 N ATOM 1468 CA LYS B 302 -0.571 -3.719 12.152 1.00 0.65 C ATOM 1469 C LYS B 302 0.113 -5.077 12.005 1.00 0.68 C ATOM 1470 O LYS B 302 -0.327 -6.073 12.576 1.00 0.76 O ATOM 1471 CB LYS B 302 -1.589 -3.517 11.020 1.00 0.66 C ATOM 1472 CG LYS B 302 -2.582 -4.666 10.870 1.00 1.21 C ATOM 1473 CD LYS B 302 -3.438 -4.836 12.115 1.00 1.38 C ATOM 1474 CE LYS B 302 -3.982 -6.253 12.236 1.00 2.10 C ATOM 1475 NZ LYS B 302 -2.934 -7.220 12.682 1.00 2.44 N ATOM 0 H LYS B 302 0.415 -2.070 11.310 1.00 0.58 H new ATOM 0 HA LYS B 302 -1.104 -3.686 13.102 1.00 0.65 H new ATOM 0 HB2 LYS B 302 -2.140 -2.594 11.201 1.00 0.66 H new ATOM 0 HB3 LYS B 302 -1.052 -3.389 10.080 1.00 0.66 H new ATOM 0 HG2 LYS B 302 -3.225 -4.482 10.009 1.00 1.21 H new ATOM 0 HG3 LYS B 302 -2.041 -5.591 10.671 1.00 1.21 H new ATOM 0 HD2 LYS B 302 -2.846 -4.597 12.999 1.00 1.38 H new ATOM 0 HD3 LYS B 302 -4.267 -4.129 12.086 1.00 1.38 H new ATOM 0 HE2 LYS B 302 -4.810 -6.264 12.945 1.00 2.10 H new ATOM 0 HE3 LYS B 302 -4.382 -6.571 11.273 1.00 2.10 H new ATOM 0 HZ1 LYS B 302 -3.193 -8.179 12.374 1.00 2.44 H new ATOM 0 HZ2 LYS B 302 -2.019 -6.957 12.264 1.00 2.44 H new ATOM 0 HZ3 LYS B 302 -2.860 -7.198 13.719 1.00 2.44 H new ATOM 1489 N LYS B 303 1.193 -5.104 11.237 1.00 0.62 N ATOM 1490 CA LYS B 303 1.956 -6.329 11.018 1.00 0.65 C ATOM 1491 C LYS B 303 2.610 -6.764 12.329 1.00 0.72 C ATOM 1492 O LYS B 303 2.854 -7.949 12.570 1.00 0.82 O ATOM 1493 CB LYS B 303 3.018 -6.090 9.934 1.00 0.58 C ATOM 1494 CG LYS B 303 3.186 -7.252 8.966 1.00 0.55 C ATOM 1495 CD LYS B 303 4.271 -8.212 9.426 1.00 0.66 C ATOM 1496 CE LYS B 303 4.344 -9.437 8.532 1.00 0.77 C ATOM 1497 NZ LYS B 303 4.601 -9.095 7.108 1.00 0.70 N ATOM 0 H LYS B 303 1.564 -4.287 10.752 1.00 0.62 H new ATOM 0 HA LYS B 303 1.289 -7.123 10.680 1.00 0.65 H new ATOM 0 HB2 LYS B 303 2.752 -5.196 9.370 1.00 0.58 H new ATOM 0 HB3 LYS B 303 3.975 -5.890 10.415 1.00 0.58 H new ATOM 0 HG2 LYS B 303 2.241 -7.788 8.872 1.00 0.55 H new ATOM 0 HG3 LYS B 303 3.434 -6.869 7.976 1.00 0.55 H new ATOM 0 HD2 LYS B 303 5.234 -7.702 9.425 1.00 0.66 H new ATOM 0 HD3 LYS B 303 4.074 -8.521 10.453 1.00 0.66 H new ATOM 0 HE2 LYS B 303 5.134 -10.097 8.891 1.00 0.77 H new ATOM 0 HE3 LYS B 303 3.408 -9.991 8.605 1.00 0.77 H new ATOM 0 HZ1 LYS B 303 5.066 -9.897 6.637 1.00 0.70 H new ATOM 0 HZ2 LYS B 303 3.699 -8.890 6.632 1.00 0.70 H new ATOM 0 HZ3 LYS B 303 5.217 -8.259 7.058 1.00 0.70 H new ATOM 1511 N ASN B 304 2.887 -5.778 13.170 1.00 0.69 N ATOM 1512 CA ASN B 304 3.487 -6.013 14.474 1.00 0.78 C ATOM 1513 C ASN B 304 2.404 -6.333 15.495 1.00 0.88 C ATOM 1514 O ASN B 304 2.596 -7.160 16.382 1.00 1.04 O ATOM 1515 CB ASN B 304 4.320 -4.794 14.900 1.00 0.78 C ATOM 1516 CG ASN B 304 4.713 -4.827 16.368 1.00 0.92 C ATOM 1517 OD1 ASN B 304 4.173 -4.076 17.178 1.00 1.13 O ATOM 1518 ND2 ASN B 304 5.645 -5.708 16.725 1.00 1.16 N ATOM 0 H ASN B 304 2.703 -4.795 12.968 1.00 0.69 H new ATOM 0 HA ASN B 304 4.157 -6.871 14.415 1.00 0.78 H new ATOM 0 HB2 ASN B 304 5.221 -4.745 14.289 1.00 0.78 H new ATOM 0 HB3 ASN B 304 3.752 -3.885 14.702 1.00 0.78 H new ATOM 0 HD21 ASN B 304 5.934 -5.777 17.701 1.00 1.16 H new ATOM 0 HD22 ASN B 304 6.070 -6.314 16.023 1.00 1.16 H new ATOM 1525 N SER B 305 1.267 -5.674 15.359 1.00 0.82 N ATOM 1526 CA SER B 305 0.136 -5.886 16.244 1.00 0.93 C ATOM 1527 C SER B 305 -0.805 -6.937 15.650 1.00 1.13 C ATOM 1528 O SER B 305 -0.517 -8.151 15.782 1.00 1.39 O ATOM 1529 CB SER B 305 -0.596 -4.567 16.463 1.00 0.87 C ATOM 1530 OG SER B 305 0.312 -3.525 16.813 1.00 1.00 O ATOM 1531 OXT SER B 305 -1.828 -6.548 15.040 1.00 1.26 O ATOM 0 H SER B 305 1.102 -4.977 14.632 1.00 0.82 H new ATOM 0 HA SER B 305 0.492 -6.252 17.207 1.00 0.93 H new ATOM 0 HB2 SER B 305 -1.136 -4.293 15.557 1.00 0.87 H new ATOM 0 HB3 SER B 305 -1.338 -4.687 17.252 1.00 0.87 H new ATOM 0 HG SER B 305 0.807 -3.241 16.016 1.00 1.00 H new